USER MOD reduce.3.24.130724 H: found=0, std=0, add=1554, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 1558 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 62 SER OG : rot 42:sc= -0.494 USER MOD Set 1.2: B 69 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 121 CYS SG : rot 71:sc= 0.295 USER MOD Set 2.2: A 125 ASN : amide:sc= 1.2 K(o=1.5,f=-3!) USER MOD Set 3.1: A 52 THR OG1 : rot 95:sc= 1.31 USER MOD Set 3.2: A 58 HIS : no HE2:sc= 0.845 K(o=2.2,f=-4.3!) USER MOD Set 4.1: A 48 TYR OH : rot 97:sc= 0.0268 USER MOD Set 4.2: A 60 CYS SG : rot -132:sc= 0.895 USER MOD Set 5.1: A 22 TYR OH : rot 110:sc= 0.663 USER MOD Set 5.2: A 62 LYS NZ :NH3+ 154:sc= 0.741 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -135:sc= 2.42 (180deg=-0.855) USER MOD Single : A 31 MET CE :methyl 156:sc=-0.00517 (180deg=-0.086) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -41:sc= 0.663 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0441) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 51 GLN : amide:sc= -0.0325 K(o=-0.032,f=-1.1) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 74:sc= 1.25 USER MOD Single : A 66 SER OG : rot 180:sc= 0.0458 USER MOD Single : A 68 ASN : amide:sc= -0.0798 K(o=-0.08,f=-1.5!) USER MOD Single : A 80 CYS SG : rot 86:sc= -1.63! USER MOD Single : A 83 LYS NZ :NH3+ -147:sc= 1.25 (180deg=1.03) USER MOD Single : A 87 GLN : amide:sc= -0.332 X(o=-0.33,f=-0.51) USER MOD Single : A 88 CYS SG : rot 12:sc= 0.0652 USER MOD Single : A 90 SER OG : rot 180:sc= 0.0511 USER MOD Single : A 94 TYR OH : rot -170:sc= 1.16 USER MOD Single : A 97 LYS NZ :NH3+ -162:sc= -0.0481 (180deg=-0.276) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ -172:sc= 0.871 (180deg=0.837) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= 1.13 K(o=1.1,f=-4.9!) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.0057 USER MOD Single : A 116 GLN : amide:sc= -0.835 K(o=-0.84,f=-0.036) USER MOD Single : A 120 HIS : no HD1:sc= -0.805 K(o=-0.81,f=-1.5) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 ASN : amide:sc= -0.919 K(o=-0.92,f=-5.4!) USER MOD Single : A 130 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 34 LYS NZ :NH3+ 147:sc= -0.24 (180deg=-1.07) USER MOD Single : B 36 THR OG1 : rot 180:sc= 0 USER MOD Single : B 38 LYS NZ :NH3+ -156:sc= 1.17 (180deg=1.11) USER MOD Single : B 39 THR OG1 : rot 180:sc= 0 USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 51 ASN : amide:sc= -0.773 K(o=-0.77,f=-3.9!) USER MOD Single : B 52 SER OG : rot -160:sc= 0 USER MOD Single : B 53 SER OG : rot 180:sc= 0 USER MOD Single : B 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 56 GLN : amide:sc= -0.236 X(o=-0.24,f=-0.18) USER MOD Single : B 58 LYS NZ :NH3+ -179:sc= 1.26 (180deg=1.24) USER MOD Single : B 63 LYS NZ :NH3+ 156:sc= -0.0943 (180deg=-0.533) USER MOD Single : B 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 67 SER OG : rot 180:sc= 0 USER MOD Single : B 68 GLN : amide:sc= -0.402 K(o=-0.4,f=-2) USER MOD Single : B 71 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : B 79 LYS NZ :NH3+ 144:sc= -2.53! (180deg=-3.97!) USER MOD Single : B 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 84 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : B 86 THR OG1 : rot 180:sc= -0.0654 USER MOD Single : B 89 GLN : amide:sc= -0.136 X(o=-0.14,f=-0.061) USER MOD Single : B 90 HIS : no HD1:sc= 0 X(o=0,f=-0.0077) USER MOD Single : B 93 HIS : no HD1:sc= -0.216 X(o=-0.22,f=-0.46) USER MOD Single : B 97 THR OG1 : rot 180:sc= 0.0612 USER MOD Single : B 99 HIS : no HE2:sc= -2.45! C(o=-1!,f=-8.6!) USER MOD Single : B 103 LYS NZ :NH3+ 159:sc= 1.19 (180deg=0.838) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 21 -11.788 21.279 8.215 1.00 0.79 N ATOM 2 CA LYS A 21 -13.028 20.502 7.989 1.00 0.63 C ATOM 3 C LYS A 21 -12.690 19.131 7.429 1.00 0.53 C ATOM 4 O LYS A 21 -11.539 18.867 7.081 1.00 0.61 O ATOM 5 CB LYS A 21 -13.944 21.243 7.010 1.00 0.62 C ATOM 6 CG LYS A 21 -13.358 21.382 5.612 1.00 0.66 C ATOM 7 CD LYS A 21 -14.350 22.007 4.645 1.00 0.77 C ATOM 8 CE LYS A 21 -14.612 23.469 4.978 1.00 0.90 C ATOM 9 NZ LYS A 21 -15.475 24.132 3.963 1.00 1.10 N ATOM 0 HA LYS A 21 -13.543 20.384 8.942 1.00 0.63 H new ATOM 0 HB2 LYS A 21 -14.895 20.715 6.945 1.00 0.62 H new ATOM 0 HB3 LYS A 21 -14.157 22.236 7.406 1.00 0.62 H new ATOM 0 HG2 LYS A 21 -12.457 21.994 5.655 1.00 0.66 H new ATOM 0 HG3 LYS A 21 -13.060 20.401 5.243 1.00 0.66 H new ATOM 0 HD2 LYS A 21 -13.966 21.928 3.628 1.00 0.77 H new ATOM 0 HD3 LYS A 21 -15.288 21.452 4.676 1.00 0.77 H new ATOM 0 HE2 LYS A 21 -15.087 23.537 5.957 1.00 0.90 H new ATOM 0 HE3 LYS A 21 -13.662 24.000 5.047 1.00 0.90 H new ATOM 0 HZ1 LYS A 21 -15.626 25.125 4.231 1.00 1.10 H new ATOM 0 HZ2 LYS A 21 -15.011 24.091 3.033 1.00 1.10 H new ATOM 0 HZ3 LYS A 21 -16.392 23.643 3.914 1.00 1.10 H new ATOM 23 N TYR A 22 -13.688 18.263 7.342 1.00 0.49 N ATOM 24 CA TYR A 22 -13.483 16.928 6.807 1.00 0.49 C ATOM 25 C TYR A 22 -13.942 16.886 5.356 1.00 0.47 C ATOM 26 O TYR A 22 -15.045 17.327 5.040 1.00 0.57 O ATOM 27 CB TYR A 22 -14.261 15.882 7.618 1.00 0.56 C ATOM 28 CG TYR A 22 -14.024 15.925 9.117 1.00 0.55 C ATOM 29 CD1 TYR A 22 -12.855 16.451 9.660 1.00 0.56 C ATOM 30 CD2 TYR A 22 -14.978 15.417 9.992 1.00 0.61 C ATOM 31 CE1 TYR A 22 -12.647 16.472 11.028 1.00 0.60 C ATOM 32 CE2 TYR A 22 -14.777 15.436 11.359 1.00 0.67 C ATOM 33 CZ TYR A 22 -13.611 15.963 11.874 1.00 0.65 C ATOM 34 OH TYR A 22 -13.408 15.984 13.239 1.00 0.75 O ATOM 0 H TYR A 22 -14.645 18.460 7.635 1.00 0.49 H new ATOM 0 HA TYR A 22 -12.421 16.693 6.870 1.00 0.49 H new ATOM 0 HB2 TYR A 22 -15.326 16.017 7.430 1.00 0.56 H new ATOM 0 HB3 TYR A 22 -13.996 14.890 7.252 1.00 0.56 H new ATOM 0 HD1 TYR A 22 -12.097 16.850 9.002 1.00 0.56 H new ATOM 0 HD2 TYR A 22 -15.892 15.000 9.596 1.00 0.61 H new ATOM 0 HE1 TYR A 22 -11.734 16.885 11.432 1.00 0.60 H new ATOM 0 HE2 TYR A 22 -15.531 15.039 12.023 1.00 0.67 H new ATOM 0 HH TYR A 22 -14.015 16.634 13.650 1.00 0.75 H new ATOM 44 N LEU A 23 -13.095 16.375 4.475 1.00 0.41 N ATOM 45 CA LEU A 23 -13.442 16.282 3.061 1.00 0.43 C ATOM 46 C LEU A 23 -14.572 15.272 2.878 1.00 0.43 C ATOM 47 O LEU A 23 -15.564 15.535 2.200 1.00 0.52 O ATOM 48 CB LEU A 23 -12.216 15.876 2.238 1.00 0.45 C ATOM 49 CG LEU A 23 -11.031 16.846 2.314 1.00 0.54 C ATOM 50 CD1 LEU A 23 -9.819 16.271 1.594 1.00 0.64 C ATOM 51 CD2 LEU A 23 -11.411 18.193 1.719 1.00 0.70 C ATOM 0 H LEU A 23 -12.168 16.020 4.710 1.00 0.41 H new ATOM 0 HA LEU A 23 -13.779 17.257 2.709 1.00 0.43 H new ATOM 0 HB2 LEU A 23 -11.883 14.893 2.572 1.00 0.45 H new ATOM 0 HB3 LEU A 23 -12.516 15.774 1.195 1.00 0.45 H new ATOM 0 HG LEU A 23 -10.771 16.989 3.363 1.00 0.54 H new ATOM 0 HD11 LEU A 23 -8.989 16.975 1.660 1.00 0.64 H new ATOM 0 HD12 LEU A 23 -9.533 15.328 2.060 1.00 0.64 H new ATOM 0 HD13 LEU A 23 -10.066 16.098 0.547 1.00 0.64 H new ATOM 0 HD21 LEU A 23 -10.560 18.871 1.780 1.00 0.70 H new ATOM 0 HD22 LEU A 23 -11.696 18.062 0.675 1.00 0.70 H new ATOM 0 HD23 LEU A 23 -12.250 18.613 2.275 1.00 0.70 H new ATOM 63 N VAL A 24 -14.404 14.120 3.505 1.00 0.42 N ATOM 64 CA VAL A 24 -15.393 13.053 3.467 1.00 0.46 C ATOM 65 C VAL A 24 -15.551 12.500 4.874 1.00 0.43 C ATOM 66 O VAL A 24 -14.571 12.427 5.616 1.00 0.44 O ATOM 67 CB VAL A 24 -14.986 11.910 2.506 1.00 0.54 C ATOM 68 CG1 VAL A 24 -16.103 10.881 2.387 1.00 0.70 C ATOM 69 CG2 VAL A 24 -14.626 12.457 1.134 1.00 0.76 C ATOM 0 H VAL A 24 -13.576 13.897 4.057 1.00 0.42 H new ATOM 0 HA VAL A 24 -16.331 13.466 3.097 1.00 0.46 H new ATOM 0 HB VAL A 24 -14.106 11.420 2.923 1.00 0.54 H new ATOM 0 HG11 VAL A 24 -15.795 10.087 1.707 1.00 0.70 H new ATOM 0 HG12 VAL A 24 -16.313 10.457 3.369 1.00 0.70 H new ATOM 0 HG13 VAL A 24 -17.001 11.362 2.000 1.00 0.70 H new ATOM 0 HG21 VAL A 24 -14.344 11.634 0.477 1.00 0.76 H new ATOM 0 HG22 VAL A 24 -15.486 12.979 0.713 1.00 0.76 H new ATOM 0 HG23 VAL A 24 -13.790 13.151 1.227 1.00 0.76 H new ATOM 79 N GLU A 25 -16.770 12.145 5.254 1.00 0.45 N ATOM 80 CA GLU A 25 -17.022 11.612 6.587 1.00 0.45 C ATOM 81 C GLU A 25 -18.282 10.755 6.608 1.00 0.47 C ATOM 82 O GLU A 25 -19.313 11.133 6.044 1.00 0.55 O ATOM 83 CB GLU A 25 -17.157 12.754 7.597 1.00 0.49 C ATOM 84 CG GLU A 25 -18.055 13.878 7.116 1.00 0.56 C ATOM 85 CD GLU A 25 -18.813 14.537 8.241 1.00 0.69 C ATOM 86 OE1 GLU A 25 -19.525 13.828 8.984 1.00 0.96 O ATOM 87 OE2 GLU A 25 -18.716 15.772 8.380 1.00 0.95 O ATOM 0 H GLU A 25 -17.597 12.216 4.662 1.00 0.45 H new ATOM 0 HA GLU A 25 -16.174 10.984 6.862 1.00 0.45 H new ATOM 0 HB2 GLU A 25 -17.552 12.358 8.532 1.00 0.49 H new ATOM 0 HB3 GLU A 25 -16.168 13.156 7.814 1.00 0.49 H new ATOM 0 HG2 GLU A 25 -17.451 14.626 6.603 1.00 0.56 H new ATOM 0 HG3 GLU A 25 -18.763 13.485 6.387 1.00 0.56 H new ATOM 94 N PHE A 26 -18.197 9.600 7.247 1.00 0.43 N ATOM 95 CA PHE A 26 -19.334 8.701 7.359 1.00 0.46 C ATOM 96 C PHE A 26 -19.175 7.812 8.579 1.00 0.45 C ATOM 97 O PHE A 26 -18.058 7.592 9.052 1.00 0.44 O ATOM 98 CB PHE A 26 -19.497 7.850 6.092 1.00 0.47 C ATOM 99 CG PHE A 26 -18.275 7.062 5.701 1.00 0.46 C ATOM 100 CD1 PHE A 26 -18.057 5.794 6.214 1.00 0.48 C ATOM 101 CD2 PHE A 26 -17.352 7.586 4.809 1.00 0.51 C ATOM 102 CE1 PHE A 26 -16.944 5.062 5.845 1.00 0.49 C ATOM 103 CE2 PHE A 26 -16.237 6.860 4.439 1.00 0.55 C ATOM 104 CZ PHE A 26 -16.034 5.596 4.956 1.00 0.51 C ATOM 0 H PHE A 26 -17.347 9.261 7.698 1.00 0.43 H new ATOM 0 HA PHE A 26 -20.235 9.303 7.473 1.00 0.46 H new ATOM 0 HB2 PHE A 26 -20.326 7.158 6.240 1.00 0.47 H new ATOM 0 HB3 PHE A 26 -19.771 8.504 5.264 1.00 0.47 H new ATOM 0 HD1 PHE A 26 -18.766 5.372 6.911 1.00 0.48 H new ATOM 0 HD2 PHE A 26 -17.507 8.573 4.399 1.00 0.51 H new ATOM 0 HE1 PHE A 26 -16.787 4.074 6.252 1.00 0.49 H new ATOM 0 HE2 PHE A 26 -15.524 7.281 3.745 1.00 0.55 H new ATOM 0 HZ PHE A 26 -15.164 5.026 4.665 1.00 0.51 H new ATOM 114 N ARG A 27 -20.288 7.319 9.094 1.00 0.47 N ATOM 115 CA ARG A 27 -20.263 6.455 10.260 1.00 0.47 C ATOM 116 C ARG A 27 -19.913 5.036 9.843 1.00 0.45 C ATOM 117 O ARG A 27 -20.600 4.438 9.015 1.00 0.46 O ATOM 118 CB ARG A 27 -21.615 6.487 10.977 1.00 0.51 C ATOM 119 CG ARG A 27 -21.923 7.827 11.621 1.00 0.55 C ATOM 120 CD ARG A 27 -23.406 7.980 11.900 1.00 0.61 C ATOM 121 NE ARG A 27 -24.166 8.223 10.677 1.00 0.62 N ATOM 122 CZ ARG A 27 -25.401 8.721 10.653 1.00 0.73 C ATOM 123 NH1 ARG A 27 -26.018 9.041 11.786 1.00 0.84 N ATOM 124 NH2 ARG A 27 -26.023 8.911 9.496 1.00 0.77 N ATOM 0 H ARG A 27 -21.220 7.503 8.723 1.00 0.47 H new ATOM 0 HA ARG A 27 -19.502 6.816 10.952 1.00 0.47 H new ATOM 0 HB2 ARG A 27 -22.403 6.245 10.263 1.00 0.51 H new ATOM 0 HB3 ARG A 27 -21.630 5.712 11.743 1.00 0.51 H new ATOM 0 HG2 ARG A 27 -21.365 7.922 12.552 1.00 0.55 H new ATOM 0 HG3 ARG A 27 -21.590 8.632 10.966 1.00 0.55 H new ATOM 0 HD2 ARG A 27 -23.779 7.079 12.387 1.00 0.61 H new ATOM 0 HD3 ARG A 27 -23.562 8.805 12.595 1.00 0.61 H new ATOM 0 HE ARG A 27 -23.724 7.997 9.786 1.00 0.62 H new ATOM 0 HH11 ARG A 27 -25.546 8.906 12.680 1.00 0.84 H new ATOM 0 HH12 ARG A 27 -26.964 9.422 11.762 1.00 0.84 H new ATOM 0 HH21 ARG A 27 -25.555 8.675 8.621 1.00 0.77 H new ATOM 0 HH22 ARG A 27 -26.969 9.293 9.482 1.00 0.77 H new ATOM 138 N ALA A 28 -18.844 4.506 10.413 1.00 0.44 N ATOM 139 CA ALA A 28 -18.396 3.160 10.095 1.00 0.43 C ATOM 140 C ALA A 28 -17.602 2.571 11.250 1.00 0.42 C ATOM 141 O ALA A 28 -16.834 3.272 11.915 1.00 0.44 O ATOM 142 CB ALA A 28 -17.556 3.157 8.827 1.00 0.42 C ATOM 0 H ALA A 28 -18.268 4.990 11.102 1.00 0.44 H new ATOM 0 HA ALA A 28 -19.278 2.542 9.928 1.00 0.43 H new ATOM 0 HB1 ALA A 28 -17.231 2.140 8.608 1.00 0.42 H new ATOM 0 HB2 ALA A 28 -18.151 3.535 7.996 1.00 0.42 H new ATOM 0 HB3 ALA A 28 -16.683 3.794 8.968 1.00 0.42 H new ATOM 148 N GLY A 29 -17.794 1.285 11.487 1.00 0.43 N ATOM 149 CA GLY A 29 -17.090 0.618 12.559 1.00 0.43 C ATOM 150 C GLY A 29 -15.752 0.079 12.110 1.00 0.41 C ATOM 151 O GLY A 29 -15.597 -0.328 10.956 1.00 0.46 O ATOM 0 H GLY A 29 -18.427 0.689 10.954 1.00 0.43 H new ATOM 0 HA2 GLY A 29 -16.941 1.315 13.384 1.00 0.43 H new ATOM 0 HA3 GLY A 29 -17.701 -0.200 12.940 1.00 0.43 H new ATOM 155 N LYS A 30 -14.787 0.069 13.016 1.00 0.42 N ATOM 156 CA LYS A 30 -13.453 -0.415 12.704 1.00 0.42 C ATOM 157 C LYS A 30 -13.333 -1.896 13.041 1.00 0.41 C ATOM 158 O LYS A 30 -14.187 -2.457 13.730 1.00 0.45 O ATOM 159 CB LYS A 30 -12.399 0.387 13.476 1.00 0.48 C ATOM 160 CG LYS A 30 -12.433 0.154 14.980 1.00 0.54 C ATOM 161 CD LYS A 30 -11.412 1.016 15.714 1.00 0.67 C ATOM 162 CE LYS A 30 -9.984 0.680 15.308 1.00 0.70 C ATOM 163 NZ LYS A 30 -8.981 1.380 16.158 1.00 0.60 N ATOM 0 H LYS A 30 -14.904 0.392 13.976 1.00 0.42 H new ATOM 0 HA LYS A 30 -13.280 -0.283 11.636 1.00 0.42 H new ATOM 0 HB2 LYS A 30 -11.410 0.127 13.099 1.00 0.48 H new ATOM 0 HB3 LYS A 30 -12.547 1.449 13.278 1.00 0.48 H new ATOM 0 HG2 LYS A 30 -13.431 0.373 15.358 1.00 0.54 H new ATOM 0 HG3 LYS A 30 -12.237 -0.898 15.189 1.00 0.54 H new ATOM 0 HD2 LYS A 30 -11.610 2.068 15.507 1.00 0.67 H new ATOM 0 HD3 LYS A 30 -11.526 0.876 16.789 1.00 0.67 H new ATOM 0 HE2 LYS A 30 -9.831 -0.397 15.380 1.00 0.70 H new ATOM 0 HE3 LYS A 30 -9.830 0.955 14.265 1.00 0.70 H new ATOM 0 HZ1 LYS A 30 -8.234 1.781 15.555 1.00 0.60 H new ATOM 0 HZ2 LYS A 30 -9.447 2.145 16.687 1.00 0.60 H new ATOM 0 HZ3 LYS A 30 -8.560 0.704 16.827 1.00 0.60 H new ATOM 177 N MET A 31 -12.284 -2.530 12.544 1.00 0.43 N ATOM 178 CA MET A 31 -12.048 -3.939 12.815 1.00 0.44 C ATOM 179 C MET A 31 -10.634 -4.131 13.339 1.00 0.46 C ATOM 180 O MET A 31 -9.708 -3.443 12.909 1.00 0.55 O ATOM 181 CB MET A 31 -12.267 -4.789 11.558 1.00 0.46 C ATOM 182 CG MET A 31 -13.676 -4.705 10.994 1.00 0.47 C ATOM 183 SD MET A 31 -14.179 -6.221 10.155 1.00 0.54 S ATOM 184 CE MET A 31 -15.750 -5.714 9.461 1.00 0.61 C ATOM 0 H MET A 31 -11.581 -2.091 11.950 1.00 0.43 H new ATOM 0 HA MET A 31 -12.762 -4.268 13.570 1.00 0.44 H new ATOM 0 HB2 MET A 31 -11.560 -4.474 10.791 1.00 0.46 H new ATOM 0 HB3 MET A 31 -12.041 -5.830 11.791 1.00 0.46 H new ATOM 0 HG2 MET A 31 -14.375 -4.493 11.803 1.00 0.47 H new ATOM 0 HG3 MET A 31 -13.734 -3.871 10.295 1.00 0.47 H new ATOM 0 HE1 MET A 31 -15.984 -6.337 8.598 1.00 0.61 H new ATOM 0 HE2 MET A 31 -16.532 -5.825 10.212 1.00 0.61 H new ATOM 0 HE3 MET A 31 -15.691 -4.671 9.150 1.00 0.61 H new ATOM 194 N SER A 32 -10.474 -5.047 14.275 1.00 0.49 N ATOM 195 CA SER A 32 -9.175 -5.313 14.866 1.00 0.52 C ATOM 196 C SER A 32 -8.738 -6.748 14.614 1.00 0.52 C ATOM 197 O SER A 32 -9.478 -7.693 14.891 1.00 0.54 O ATOM 198 CB SER A 32 -9.222 -5.032 16.369 1.00 0.59 C ATOM 199 OG SER A 32 -9.703 -3.720 16.620 1.00 0.93 O ATOM 0 H SER A 32 -11.231 -5.622 14.644 1.00 0.49 H new ATOM 0 HA SER A 32 -8.445 -4.653 14.397 1.00 0.52 H new ATOM 0 HB2 SER A 32 -9.866 -5.761 16.860 1.00 0.59 H new ATOM 0 HB3 SER A 32 -8.226 -5.148 16.797 1.00 0.59 H new ATOM 0 HG SER A 32 -9.727 -3.560 17.587 1.00 0.93 H new ATOM 205 N LEU A 33 -7.544 -6.907 14.066 1.00 0.54 N ATOM 206 CA LEU A 33 -7.001 -8.226 13.798 1.00 0.56 C ATOM 207 C LEU A 33 -6.473 -8.825 15.094 1.00 0.58 C ATOM 208 O LEU A 33 -5.418 -8.427 15.588 1.00 0.63 O ATOM 209 CB LEU A 33 -5.882 -8.154 12.756 1.00 0.58 C ATOM 210 CG LEU A 33 -5.238 -9.495 12.394 1.00 0.61 C ATOM 211 CD1 LEU A 33 -6.174 -10.321 11.528 1.00 0.62 C ATOM 212 CD2 LEU A 33 -3.910 -9.273 11.686 1.00 0.67 C ATOM 0 H LEU A 33 -6.932 -6.136 13.798 1.00 0.54 H new ATOM 0 HA LEU A 33 -7.793 -8.859 13.398 1.00 0.56 H new ATOM 0 HB2 LEU A 33 -6.283 -7.705 11.847 1.00 0.58 H new ATOM 0 HB3 LEU A 33 -5.105 -7.485 13.127 1.00 0.58 H new ATOM 0 HG LEU A 33 -5.049 -10.046 13.315 1.00 0.61 H new ATOM 0 HD11 LEU A 33 -5.699 -11.270 11.281 1.00 0.62 H new ATOM 0 HD12 LEU A 33 -7.100 -10.509 12.071 1.00 0.62 H new ATOM 0 HD13 LEU A 33 -6.396 -9.777 10.610 1.00 0.62 H new ATOM 0 HD21 LEU A 33 -3.466 -10.236 11.436 1.00 0.67 H new ATOM 0 HD22 LEU A 33 -4.076 -8.702 10.773 1.00 0.67 H new ATOM 0 HD23 LEU A 33 -3.236 -8.722 12.342 1.00 0.67 H new ATOM 224 N LYS A 34 -7.218 -9.760 15.653 1.00 0.59 N ATOM 225 CA LYS A 34 -6.829 -10.399 16.896 1.00 0.63 C ATOM 226 C LYS A 34 -6.239 -11.774 16.625 1.00 0.65 C ATOM 227 O LYS A 34 -6.955 -12.709 16.249 1.00 0.68 O ATOM 228 CB LYS A 34 -8.033 -10.497 17.838 1.00 0.66 C ATOM 229 CG LYS A 34 -8.726 -9.160 18.058 1.00 0.68 C ATOM 230 CD LYS A 34 -9.748 -9.224 19.183 1.00 0.76 C ATOM 231 CE LYS A 34 -10.482 -7.900 19.333 1.00 0.84 C ATOM 232 NZ LYS A 34 -11.389 -7.888 20.511 1.00 1.01 N ATOM 0 H LYS A 34 -8.099 -10.095 15.264 1.00 0.59 H new ATOM 0 HA LYS A 34 -6.063 -9.792 17.379 1.00 0.63 H new ATOM 0 HB2 LYS A 34 -8.750 -11.209 17.429 1.00 0.66 H new ATOM 0 HB3 LYS A 34 -7.704 -10.892 18.799 1.00 0.66 H new ATOM 0 HG2 LYS A 34 -7.980 -8.399 18.289 1.00 0.68 H new ATOM 0 HG3 LYS A 34 -9.220 -8.852 17.137 1.00 0.68 H new ATOM 0 HD2 LYS A 34 -10.465 -10.020 18.982 1.00 0.76 H new ATOM 0 HD3 LYS A 34 -9.248 -9.474 20.119 1.00 0.76 H new ATOM 0 HE2 LYS A 34 -9.755 -7.093 19.428 1.00 0.84 H new ATOM 0 HE3 LYS A 34 -11.060 -7.703 18.430 1.00 0.84 H new ATOM 0 HZ1 LYS A 34 -11.867 -6.966 20.572 1.00 1.01 H new ATOM 0 HZ2 LYS A 34 -12.100 -8.640 20.410 1.00 1.01 H new ATOM 0 HZ3 LYS A 34 -10.836 -8.049 21.377 1.00 1.01 H new ATOM 246 N GLY A 35 -4.927 -11.880 16.790 1.00 0.66 N ATOM 247 CA GLY A 35 -4.236 -13.128 16.557 1.00 0.70 C ATOM 248 C GLY A 35 -4.087 -13.423 15.081 1.00 0.70 C ATOM 249 O GLY A 35 -3.023 -13.204 14.496 1.00 0.75 O ATOM 0 H GLY A 35 -4.325 -11.112 17.085 1.00 0.66 H new ATOM 0 HA2 GLY A 35 -3.250 -13.089 17.021 1.00 0.70 H new ATOM 0 HA3 GLY A 35 -4.782 -13.940 17.036 1.00 0.70 H new ATOM 253 N THR A 36 -5.161 -13.904 14.478 1.00 0.68 N ATOM 254 CA THR A 36 -5.169 -14.230 13.065 1.00 0.70 C ATOM 255 C THR A 36 -6.587 -14.103 12.502 1.00 0.68 C ATOM 256 O THR A 36 -6.885 -14.585 11.408 1.00 0.72 O ATOM 257 CB THR A 36 -4.627 -15.661 12.825 1.00 0.75 C ATOM 258 OG1 THR A 36 -4.484 -15.915 11.421 1.00 0.82 O ATOM 259 CG2 THR A 36 -5.539 -16.709 13.444 1.00 0.77 C ATOM 0 H THR A 36 -6.047 -14.078 14.953 1.00 0.68 H new ATOM 0 HA THR A 36 -4.517 -13.526 12.549 1.00 0.70 H new ATOM 0 HB THR A 36 -3.650 -15.727 13.304 1.00 0.75 H new ATOM 0 HG1 THR A 36 -5.256 -15.548 10.942 1.00 0.82 H new ATOM 0 HG21 THR A 36 -5.131 -17.702 13.258 1.00 0.77 H new ATOM 0 HG22 THR A 36 -5.609 -16.541 14.519 1.00 0.77 H new ATOM 0 HG23 THR A 36 -6.532 -16.636 13.000 1.00 0.77 H new ATOM 267 N THR A 37 -7.456 -13.438 13.251 1.00 0.66 N ATOM 268 CA THR A 37 -8.839 -13.255 12.836 1.00 0.66 C ATOM 269 C THR A 37 -9.250 -11.790 12.947 1.00 0.61 C ATOM 270 O THR A 37 -8.918 -11.117 13.925 1.00 0.61 O ATOM 271 CB THR A 37 -9.787 -14.120 13.694 1.00 0.71 C ATOM 272 OG1 THR A 37 -9.232 -15.433 13.854 1.00 0.79 O ATOM 273 CG2 THR A 37 -11.163 -14.226 13.050 1.00 0.81 C ATOM 0 H THR A 37 -7.227 -13.016 14.151 1.00 0.66 H new ATOM 0 HA THR A 37 -8.915 -13.568 11.795 1.00 0.66 H new ATOM 0 HB THR A 37 -9.897 -13.643 14.668 1.00 0.71 H new ATOM 0 HG1 THR A 37 -9.835 -15.979 14.400 1.00 0.79 H new ATOM 0 HG21 THR A 37 -11.811 -14.841 13.675 1.00 0.81 H new ATOM 0 HG22 THR A 37 -11.595 -13.230 12.949 1.00 0.81 H new ATOM 0 HG23 THR A 37 -11.069 -14.683 12.065 1.00 0.81 H new ATOM 281 N VAL A 38 -9.953 -11.294 11.936 1.00 0.60 N ATOM 282 CA VAL A 38 -10.412 -9.914 11.925 1.00 0.57 C ATOM 283 C VAL A 38 -11.707 -9.780 12.721 1.00 0.57 C ATOM 284 O VAL A 38 -12.778 -10.174 12.259 1.00 0.64 O ATOM 285 CB VAL A 38 -10.645 -9.404 10.488 1.00 0.57 C ATOM 286 CG1 VAL A 38 -10.870 -7.901 10.481 1.00 0.59 C ATOM 287 CG2 VAL A 38 -9.479 -9.777 9.583 1.00 0.61 C ATOM 0 H VAL A 38 -10.218 -11.831 11.110 1.00 0.60 H new ATOM 0 HA VAL A 38 -9.631 -9.308 12.384 1.00 0.57 H new ATOM 0 HB VAL A 38 -11.542 -9.886 10.100 1.00 0.57 H new ATOM 0 HG11 VAL A 38 -11.032 -7.562 9.458 1.00 0.59 H new ATOM 0 HG12 VAL A 38 -11.745 -7.661 11.086 1.00 0.59 H new ATOM 0 HG13 VAL A 38 -9.995 -7.400 10.895 1.00 0.59 H new ATOM 0 HG21 VAL A 38 -9.667 -9.406 8.575 1.00 0.61 H new ATOM 0 HG22 VAL A 38 -8.562 -9.331 9.968 1.00 0.61 H new ATOM 0 HG23 VAL A 38 -9.372 -10.861 9.556 1.00 0.61 H new ATOM 297 N THR A 39 -11.596 -9.242 13.922 1.00 0.56 N ATOM 298 CA THR A 39 -12.747 -9.059 14.789 1.00 0.58 C ATOM 299 C THR A 39 -13.242 -7.610 14.733 1.00 0.55 C ATOM 300 O THR A 39 -12.510 -6.684 15.087 1.00 0.55 O ATOM 301 CB THR A 39 -12.395 -9.428 16.241 1.00 0.64 C ATOM 302 OG1 THR A 39 -11.696 -10.681 16.266 1.00 0.67 O ATOM 303 CG2 THR A 39 -13.644 -9.525 17.103 1.00 0.74 C ATOM 0 H THR A 39 -10.714 -8.922 14.322 1.00 0.56 H new ATOM 0 HA THR A 39 -13.540 -9.718 14.437 1.00 0.58 H new ATOM 0 HB THR A 39 -11.759 -8.641 16.647 1.00 0.64 H new ATOM 0 HG1 THR A 39 -11.472 -10.912 17.192 1.00 0.67 H new ATOM 0 HG21 THR A 39 -13.363 -9.787 18.123 1.00 0.74 H new ATOM 0 HG22 THR A 39 -14.161 -8.565 17.104 1.00 0.74 H new ATOM 0 HG23 THR A 39 -14.305 -10.292 16.700 1.00 0.74 H new ATOM 311 N PRO A 40 -14.482 -7.391 14.265 1.00 0.55 N ATOM 312 CA PRO A 40 -15.061 -6.050 14.162 1.00 0.54 C ATOM 313 C PRO A 40 -15.410 -5.448 15.520 1.00 0.56 C ATOM 314 O PRO A 40 -15.895 -6.144 16.416 1.00 0.63 O ATOM 315 CB PRO A 40 -16.344 -6.257 13.342 1.00 0.56 C ATOM 316 CG PRO A 40 -16.303 -7.664 12.847 1.00 0.65 C ATOM 317 CD PRO A 40 -15.413 -8.424 13.786 1.00 0.58 C ATOM 0 HA PRO A 40 -14.353 -5.355 13.710 1.00 0.54 H new ATOM 0 HB2 PRO A 40 -17.229 -6.086 13.955 1.00 0.56 H new ATOM 0 HB3 PRO A 40 -16.392 -5.554 12.511 1.00 0.56 H new ATOM 0 HG2 PRO A 40 -17.303 -8.097 12.826 1.00 0.65 H new ATOM 0 HG3 PRO A 40 -15.917 -7.705 11.829 1.00 0.65 H new ATOM 0 HD2 PRO A 40 -15.977 -8.870 14.605 1.00 0.58 H new ATOM 0 HD3 PRO A 40 -14.890 -9.235 13.279 1.00 0.58 H new ATOM 325 N ASP A 41 -15.157 -4.155 15.667 1.00 0.53 N ATOM 326 CA ASP A 41 -15.473 -3.446 16.899 1.00 0.56 C ATOM 327 C ASP A 41 -16.932 -3.007 16.841 1.00 0.58 C ATOM 328 O ASP A 41 -17.411 -2.575 15.789 1.00 0.66 O ATOM 329 CB ASP A 41 -14.543 -2.238 17.082 1.00 0.57 C ATOM 330 CG ASP A 41 -14.491 -1.728 18.512 1.00 0.61 C ATOM 331 OD1 ASP A 41 -15.558 -1.558 19.137 1.00 0.64 O ATOM 332 OD2 ASP A 41 -13.369 -1.479 19.015 1.00 0.68 O ATOM 0 H ASP A 41 -14.732 -3.573 14.945 1.00 0.53 H new ATOM 0 HA ASP A 41 -15.323 -4.104 17.755 1.00 0.56 H new ATOM 0 HB2 ASP A 41 -13.537 -2.512 16.765 1.00 0.57 H new ATOM 0 HB3 ASP A 41 -14.874 -1.431 16.428 1.00 0.57 H new ATOM 337 N LYS A 42 -17.633 -3.116 17.958 1.00 0.61 N ATOM 338 CA LYS A 42 -19.051 -2.771 18.011 1.00 0.64 C ATOM 339 C LYS A 42 -19.271 -1.292 18.323 1.00 0.64 C ATOM 340 O LYS A 42 -20.410 -0.841 18.458 1.00 0.76 O ATOM 341 CB LYS A 42 -19.760 -3.634 19.056 1.00 0.71 C ATOM 342 CG LYS A 42 -19.447 -5.117 18.929 1.00 0.72 C ATOM 343 CD LYS A 42 -20.226 -5.943 19.941 1.00 0.84 C ATOM 344 CE LYS A 42 -19.726 -7.378 20.003 1.00 0.90 C ATOM 345 NZ LYS A 42 -18.413 -7.491 20.691 1.00 1.08 N ATOM 0 H LYS A 42 -17.245 -3.441 18.844 1.00 0.61 H new ATOM 0 HA LYS A 42 -19.472 -2.965 17.025 1.00 0.64 H new ATOM 0 HB2 LYS A 42 -19.474 -3.294 20.051 1.00 0.71 H new ATOM 0 HB3 LYS A 42 -20.837 -3.489 18.966 1.00 0.71 H new ATOM 0 HG2 LYS A 42 -19.687 -5.455 17.921 1.00 0.72 H new ATOM 0 HG3 LYS A 42 -18.379 -5.277 19.073 1.00 0.72 H new ATOM 0 HD2 LYS A 42 -20.141 -5.485 20.927 1.00 0.84 H new ATOM 0 HD3 LYS A 42 -21.284 -5.938 19.678 1.00 0.84 H new ATOM 0 HE2 LYS A 42 -20.460 -7.994 20.523 1.00 0.90 H new ATOM 0 HE3 LYS A 42 -19.638 -7.773 18.991 1.00 0.90 H new ATOM 0 HZ1 LYS A 42 -18.178 -8.495 20.829 1.00 1.08 H new ATOM 0 HZ2 LYS A 42 -17.677 -7.040 20.111 1.00 1.08 H new ATOM 0 HZ3 LYS A 42 -18.464 -7.017 21.616 1.00 1.08 H new ATOM 359 N ARG A 43 -18.186 -0.546 18.442 1.00 0.58 N ATOM 360 CA ARG A 43 -18.265 0.878 18.735 1.00 0.58 C ATOM 361 C ARG A 43 -18.717 1.679 17.520 1.00 0.55 C ATOM 362 O ARG A 43 -18.659 1.204 16.384 1.00 0.55 O ATOM 363 CB ARG A 43 -16.904 1.392 19.186 1.00 0.58 C ATOM 364 CG ARG A 43 -16.712 1.382 20.690 1.00 0.60 C ATOM 365 CD ARG A 43 -15.338 1.906 21.060 1.00 0.60 C ATOM 366 NE ARG A 43 -14.278 1.171 20.374 1.00 0.57 N ATOM 367 CZ ARG A 43 -13.107 1.704 20.025 1.00 0.57 C ATOM 368 NH1 ARG A 43 -12.844 2.980 20.282 1.00 0.62 N ATOM 369 NH2 ARG A 43 -12.209 0.965 19.386 1.00 0.57 N ATOM 0 H ARG A 43 -17.236 -0.903 18.340 1.00 0.58 H new ATOM 0 HA ARG A 43 -19.001 1.008 19.529 1.00 0.58 H new ATOM 0 HB2 ARG A 43 -16.126 0.783 18.726 1.00 0.58 H new ATOM 0 HB3 ARG A 43 -16.771 2.410 18.819 1.00 0.58 H new ATOM 0 HG2 ARG A 43 -17.479 1.994 21.163 1.00 0.60 H new ATOM 0 HG3 ARG A 43 -16.834 0.368 21.070 1.00 0.60 H new ATOM 0 HD2 ARG A 43 -15.271 2.964 20.806 1.00 0.60 H new ATOM 0 HD3 ARG A 43 -15.197 1.828 22.138 1.00 0.60 H new ATOM 0 HE ARG A 43 -14.444 0.190 20.148 1.00 0.57 H new ATOM 0 HH11 ARG A 43 -13.540 3.560 20.750 1.00 0.62 H new ATOM 0 HH12 ARG A 43 -11.946 3.380 20.012 1.00 0.62 H new ATOM 0 HH21 ARG A 43 -12.415 -0.009 19.163 1.00 0.57 H new ATOM 0 HH22 ARG A 43 -11.312 1.371 19.118 1.00 0.57 H new ATOM 383 N LYS A 44 -19.168 2.896 17.769 1.00 0.57 N ATOM 384 CA LYS A 44 -19.601 3.781 16.704 1.00 0.56 C ATOM 385 C LYS A 44 -18.465 4.727 16.350 1.00 0.53 C ATOM 386 O LYS A 44 -18.013 5.503 17.195 1.00 0.59 O ATOM 387 CB LYS A 44 -20.833 4.580 17.127 1.00 0.62 C ATOM 388 CG LYS A 44 -22.064 3.725 17.372 1.00 0.70 C ATOM 389 CD LYS A 44 -23.279 4.587 17.666 1.00 0.79 C ATOM 390 CE LYS A 44 -24.536 3.748 17.839 1.00 0.93 C ATOM 391 NZ LYS A 44 -25.748 4.597 18.004 1.00 1.07 N ATOM 0 H LYS A 44 -19.244 3.295 18.705 1.00 0.57 H new ATOM 0 HA LYS A 44 -19.869 3.182 15.834 1.00 0.56 H new ATOM 0 HB2 LYS A 44 -20.600 5.134 18.036 1.00 0.62 H new ATOM 0 HB3 LYS A 44 -21.060 5.315 16.355 1.00 0.62 H new ATOM 0 HG2 LYS A 44 -22.258 3.103 16.498 1.00 0.70 H new ATOM 0 HG3 LYS A 44 -21.882 3.051 18.209 1.00 0.70 H new ATOM 0 HD2 LYS A 44 -23.102 5.168 18.571 1.00 0.79 H new ATOM 0 HD3 LYS A 44 -23.425 5.299 16.853 1.00 0.79 H new ATOM 0 HE2 LYS A 44 -24.662 3.099 16.973 1.00 0.93 H new ATOM 0 HE3 LYS A 44 -24.424 3.101 18.709 1.00 0.93 H new ATOM 0 HZ1 LYS A 44 -26.584 3.990 18.119 1.00 1.07 H new ATOM 0 HZ2 LYS A 44 -25.639 5.199 18.845 1.00 1.07 H new ATOM 0 HZ3 LYS A 44 -25.869 5.197 17.163 1.00 1.07 H new ATOM 405 N GLY A 45 -17.998 4.667 15.114 1.00 0.52 N ATOM 406 CA GLY A 45 -16.902 5.517 14.705 1.00 0.51 C ATOM 407 C GLY A 45 -17.222 6.331 13.478 1.00 0.48 C ATOM 408 O GLY A 45 -18.225 6.090 12.803 1.00 0.50 O ATOM 0 H GLY A 45 -18.357 4.047 14.388 1.00 0.52 H new ATOM 0 HA2 GLY A 45 -16.644 6.188 15.524 1.00 0.51 H new ATOM 0 HA3 GLY A 45 -16.024 4.901 14.508 1.00 0.51 H new ATOM 412 N LEU A 46 -16.376 7.303 13.199 1.00 0.46 N ATOM 413 CA LEU A 46 -16.553 8.162 12.047 1.00 0.45 C ATOM 414 C LEU A 46 -15.279 8.195 11.215 1.00 0.41 C ATOM 415 O LEU A 46 -14.246 8.696 11.662 1.00 0.42 O ATOM 416 CB LEU A 46 -16.921 9.580 12.486 1.00 0.47 C ATOM 417 CG LEU A 46 -17.281 10.541 11.349 1.00 0.51 C ATOM 418 CD1 LEU A 46 -18.753 10.423 10.996 1.00 0.56 C ATOM 419 CD2 LEU A 46 -16.936 11.971 11.729 1.00 0.59 C ATOM 0 H LEU A 46 -15.552 7.518 13.761 1.00 0.46 H new ATOM 0 HA LEU A 46 -17.365 7.760 11.441 1.00 0.45 H new ATOM 0 HB2 LEU A 46 -17.765 9.523 13.173 1.00 0.47 H new ATOM 0 HB3 LEU A 46 -16.084 10.000 13.044 1.00 0.47 H new ATOM 0 HG LEU A 46 -16.695 10.268 10.471 1.00 0.51 H new ATOM 0 HD11 LEU A 46 -18.989 11.113 10.186 1.00 0.56 H new ATOM 0 HD12 LEU A 46 -18.970 9.403 10.678 1.00 0.56 H new ATOM 0 HD13 LEU A 46 -19.357 10.668 11.870 1.00 0.56 H new ATOM 0 HD21 LEU A 46 -17.199 12.639 10.909 1.00 0.59 H new ATOM 0 HD22 LEU A 46 -17.494 12.255 12.621 1.00 0.59 H new ATOM 0 HD23 LEU A 46 -15.867 12.046 11.930 1.00 0.59 H new ATOM 431 N VAL A 47 -15.352 7.639 10.018 1.00 0.40 N ATOM 432 CA VAL A 47 -14.211 7.625 9.120 1.00 0.39 C ATOM 433 C VAL A 47 -14.195 8.926 8.336 1.00 0.37 C ATOM 434 O VAL A 47 -15.131 9.211 7.586 1.00 0.40 O ATOM 435 CB VAL A 47 -14.267 6.433 8.143 1.00 0.41 C ATOM 436 CG1 VAL A 47 -13.049 6.423 7.234 1.00 0.57 C ATOM 437 CG2 VAL A 47 -14.379 5.121 8.902 1.00 0.43 C ATOM 0 H VAL A 47 -16.190 7.191 9.646 1.00 0.40 H new ATOM 0 HA VAL A 47 -13.303 7.521 9.714 1.00 0.39 H new ATOM 0 HB VAL A 47 -15.155 6.546 7.521 1.00 0.41 H new ATOM 0 HG11 VAL A 47 -13.110 5.574 6.553 1.00 0.57 H new ATOM 0 HG12 VAL A 47 -13.017 7.348 6.658 1.00 0.57 H new ATOM 0 HG13 VAL A 47 -12.145 6.340 7.838 1.00 0.57 H new ATOM 0 HG21 VAL A 47 -14.417 4.293 8.194 1.00 0.43 H new ATOM 0 HG22 VAL A 47 -13.513 5.002 9.553 1.00 0.43 H new ATOM 0 HG23 VAL A 47 -15.288 5.125 9.504 1.00 0.43 H new ATOM 447 N TYR A 48 -13.155 9.724 8.511 1.00 0.37 N ATOM 448 CA TYR A 48 -13.083 10.998 7.822 1.00 0.37 C ATOM 449 C TYR A 48 -11.750 11.200 7.116 1.00 0.34 C ATOM 450 O TYR A 48 -10.717 10.669 7.531 1.00 0.36 O ATOM 451 CB TYR A 48 -13.349 12.151 8.801 1.00 0.43 C ATOM 452 CG TYR A 48 -12.229 12.424 9.785 1.00 0.44 C ATOM 453 CD1 TYR A 48 -12.085 11.666 10.941 1.00 0.63 C ATOM 454 CD2 TYR A 48 -11.331 13.464 9.568 1.00 0.46 C ATOM 455 CE1 TYR A 48 -11.076 11.934 11.847 1.00 0.73 C ATOM 456 CE2 TYR A 48 -10.324 13.739 10.473 1.00 0.54 C ATOM 457 CZ TYR A 48 -10.201 12.970 11.609 1.00 0.64 C ATOM 458 OH TYR A 48 -9.205 13.250 12.517 1.00 0.78 O ATOM 0 H TYR A 48 -12.360 9.515 9.115 1.00 0.37 H new ATOM 0 HA TYR A 48 -13.856 10.992 7.054 1.00 0.37 H new ATOM 0 HB2 TYR A 48 -13.539 13.059 8.228 1.00 0.43 H new ATOM 0 HB3 TYR A 48 -14.259 11.931 9.360 1.00 0.43 H new ATOM 0 HD1 TYR A 48 -12.772 10.855 11.134 1.00 0.63 H new ATOM 0 HD2 TYR A 48 -11.423 14.067 8.677 1.00 0.46 H new ATOM 0 HE1 TYR A 48 -10.974 11.333 12.738 1.00 0.73 H new ATOM 0 HE2 TYR A 48 -9.637 14.552 10.291 1.00 0.54 H new ATOM 0 HH TYR A 48 -8.369 12.830 12.225 1.00 0.78 H new ATOM 468 N ILE A 49 -11.799 11.961 6.034 1.00 0.33 N ATOM 469 CA ILE A 49 -10.617 12.283 5.253 1.00 0.32 C ATOM 470 C ILE A 49 -10.215 13.727 5.530 1.00 0.30 C ATOM 471 O ILE A 49 -10.982 14.655 5.265 1.00 0.35 O ATOM 472 CB ILE A 49 -10.861 12.094 3.740 1.00 0.37 C ATOM 473 CG1 ILE A 49 -11.227 10.639 3.438 1.00 0.48 C ATOM 474 CG2 ILE A 49 -9.630 12.513 2.944 1.00 0.41 C ATOM 475 CD1 ILE A 49 -11.545 10.378 1.982 1.00 0.69 C ATOM 0 H ILE A 49 -12.660 12.372 5.673 1.00 0.33 H new ATOM 0 HA ILE A 49 -9.818 11.602 5.547 1.00 0.32 H new ATOM 0 HB ILE A 49 -11.695 12.729 3.441 1.00 0.37 H new ATOM 0 HG12 ILE A 49 -10.400 9.996 3.740 1.00 0.48 H new ATOM 0 HG13 ILE A 49 -12.088 10.358 4.044 1.00 0.48 H new ATOM 0 HG21 ILE A 49 -9.820 12.373 1.880 1.00 0.41 H new ATOM 0 HG22 ILE A 49 -9.411 13.563 3.139 1.00 0.41 H new ATOM 0 HG23 ILE A 49 -8.778 11.903 3.244 1.00 0.41 H new ATOM 0 HD11 ILE A 49 -11.795 9.326 1.847 1.00 0.69 H new ATOM 0 HD12 ILE A 49 -12.392 10.994 1.678 1.00 0.69 H new ATOM 0 HD13 ILE A 49 -10.678 10.627 1.370 1.00 0.69 H new ATOM 487 N GLN A 50 -9.025 13.908 6.074 1.00 0.30 N ATOM 488 CA GLN A 50 -8.529 15.231 6.414 1.00 0.33 C ATOM 489 C GLN A 50 -7.309 15.588 5.572 1.00 0.30 C ATOM 490 O GLN A 50 -6.584 14.708 5.112 1.00 0.36 O ATOM 491 CB GLN A 50 -8.170 15.257 7.898 1.00 0.42 C ATOM 492 CG GLN A 50 -7.981 16.648 8.472 1.00 0.51 C ATOM 493 CD GLN A 50 -7.678 16.621 9.956 1.00 0.66 C ATOM 494 OE1 GLN A 50 -7.074 15.679 10.459 1.00 0.82 O ATOM 495 NE2 GLN A 50 -8.093 17.656 10.663 1.00 0.86 N ATOM 0 H GLN A 50 -8.379 13.149 6.291 1.00 0.30 H new ATOM 0 HA GLN A 50 -9.305 15.968 6.206 1.00 0.33 H new ATOM 0 HB2 GLN A 50 -8.955 14.749 8.458 1.00 0.42 H new ATOM 0 HB3 GLN A 50 -7.253 14.688 8.048 1.00 0.42 H new ATOM 0 HG2 GLN A 50 -7.168 17.148 7.946 1.00 0.51 H new ATOM 0 HG3 GLN A 50 -8.882 17.236 8.298 1.00 0.51 H new ATOM 0 HE21 GLN A 50 -8.592 18.419 10.206 1.00 0.86 H new ATOM 0 HE22 GLN A 50 -7.915 17.693 11.667 1.00 0.86 H new ATOM 504 N GLN A 51 -7.098 16.877 5.359 1.00 0.37 N ATOM 505 CA GLN A 51 -5.959 17.352 4.586 1.00 0.37 C ATOM 506 C GLN A 51 -5.277 18.496 5.325 1.00 0.39 C ATOM 507 O GLN A 51 -5.888 19.537 5.574 1.00 0.51 O ATOM 508 CB GLN A 51 -6.401 17.813 3.195 1.00 0.44 C ATOM 509 CG GLN A 51 -5.258 18.312 2.324 1.00 0.52 C ATOM 510 CD GLN A 51 -5.747 19.032 1.086 1.00 0.72 C ATOM 511 OE1 GLN A 51 -6.810 19.654 1.091 1.00 0.91 O ATOM 512 NE2 GLN A 51 -4.977 18.954 0.012 1.00 0.93 N ATOM 0 H GLN A 51 -7.704 17.618 5.712 1.00 0.37 H new ATOM 0 HA GLN A 51 -5.253 16.530 4.465 1.00 0.37 H new ATOM 0 HB2 GLN A 51 -6.897 16.985 2.688 1.00 0.44 H new ATOM 0 HB3 GLN A 51 -7.138 18.609 3.303 1.00 0.44 H new ATOM 0 HG2 GLN A 51 -4.628 18.984 2.907 1.00 0.52 H new ATOM 0 HG3 GLN A 51 -4.635 17.468 2.028 1.00 0.52 H new ATOM 0 HE21 GLN A 51 -4.103 18.429 0.048 1.00 0.93 H new ATOM 0 HE22 GLN A 51 -5.257 19.419 -0.851 1.00 0.93 H new ATOM 521 N THR A 52 -4.023 18.297 5.689 1.00 0.38 N ATOM 522 CA THR A 52 -3.269 19.312 6.406 1.00 0.45 C ATOM 523 C THR A 52 -2.569 20.273 5.441 1.00 0.36 C ATOM 524 O THR A 52 -2.698 20.148 4.221 1.00 0.33 O ATOM 525 CB THR A 52 -2.236 18.652 7.334 1.00 0.59 C ATOM 526 OG1 THR A 52 -2.004 17.300 6.911 1.00 0.65 O ATOM 527 CG2 THR A 52 -2.723 18.664 8.777 1.00 0.80 C ATOM 0 H THR A 52 -3.503 17.440 5.500 1.00 0.38 H new ATOM 0 HA THR A 52 -3.973 19.889 7.006 1.00 0.45 H new ATOM 0 HB THR A 52 -1.306 19.218 7.279 1.00 0.59 H new ATOM 0 HG1 THR A 52 -1.216 17.270 6.329 1.00 0.65 H new ATOM 0 HG21 THR A 52 -1.977 18.192 9.417 1.00 0.80 H new ATOM 0 HG22 THR A 52 -2.879 19.693 9.100 1.00 0.80 H new ATOM 0 HG23 THR A 52 -3.662 18.115 8.849 1.00 0.80 H new ATOM 535 N ASP A 53 -1.820 21.227 5.993 1.00 0.40 N ATOM 536 CA ASP A 53 -1.107 22.218 5.183 1.00 0.41 C ATOM 537 C ASP A 53 0.071 21.590 4.449 1.00 0.39 C ATOM 538 O ASP A 53 0.608 22.171 3.508 1.00 0.52 O ATOM 539 CB ASP A 53 -0.610 23.372 6.056 1.00 0.52 C ATOM 540 CG ASP A 53 0.402 22.923 7.088 1.00 0.62 C ATOM 541 OD1 ASP A 53 -0.006 22.294 8.085 1.00 0.77 O ATOM 542 OD2 ASP A 53 1.611 23.190 6.909 1.00 0.74 O ATOM 0 H ASP A 53 -1.690 21.336 6.999 1.00 0.40 H new ATOM 0 HA ASP A 53 -1.811 22.603 4.445 1.00 0.41 H new ATOM 0 HB2 ASP A 53 -0.162 24.137 5.421 1.00 0.52 H new ATOM 0 HB3 ASP A 53 -1.459 23.833 6.561 1.00 0.52 H new ATOM 547 N ASP A 54 0.463 20.400 4.879 1.00 0.42 N ATOM 548 CA ASP A 54 1.577 19.682 4.261 1.00 0.55 C ATOM 549 C ASP A 54 1.125 18.972 2.989 1.00 0.45 C ATOM 550 O ASP A 54 1.902 18.253 2.356 1.00 0.52 O ATOM 551 CB ASP A 54 2.192 18.672 5.241 1.00 0.73 C ATOM 552 CG ASP A 54 1.158 17.825 5.963 1.00 0.74 C ATOM 553 OD1 ASP A 54 0.062 17.603 5.405 1.00 0.65 O ATOM 554 OD2 ASP A 54 1.441 17.382 7.102 1.00 1.10 O ATOM 0 H ASP A 54 0.026 19.906 5.657 1.00 0.42 H new ATOM 0 HA ASP A 54 2.340 20.415 3.998 1.00 0.55 H new ATOM 0 HB2 ASP A 54 2.872 18.016 4.697 1.00 0.73 H new ATOM 0 HB3 ASP A 54 2.789 19.209 5.978 1.00 0.73 H new ATOM 559 N SER A 55 -0.147 19.174 2.637 1.00 0.36 N ATOM 560 CA SER A 55 -0.746 18.586 1.441 1.00 0.40 C ATOM 561 C SER A 55 -0.828 17.066 1.550 1.00 0.37 C ATOM 562 O SER A 55 -0.975 16.362 0.546 1.00 0.52 O ATOM 563 CB SER A 55 0.048 18.995 0.196 1.00 0.57 C ATOM 564 OG SER A 55 0.282 20.397 0.182 1.00 0.66 O ATOM 0 H SER A 55 -0.791 19.752 3.177 1.00 0.36 H new ATOM 0 HA SER A 55 -1.764 18.966 1.351 1.00 0.40 H new ATOM 0 HB2 SER A 55 0.999 18.463 0.175 1.00 0.57 H new ATOM 0 HB3 SER A 55 -0.499 18.705 -0.701 1.00 0.57 H new ATOM 0 HG SER A 55 0.792 20.636 -0.620 1.00 0.66 H new ATOM 570 N LEU A 56 -0.751 16.562 2.771 1.00 0.28 N ATOM 571 CA LEU A 56 -0.822 15.132 2.999 1.00 0.31 C ATOM 572 C LEU A 56 -2.225 14.730 3.435 1.00 0.27 C ATOM 573 O LEU A 56 -2.787 15.308 4.367 1.00 0.30 O ATOM 574 CB LEU A 56 0.204 14.711 4.051 1.00 0.38 C ATOM 575 CG LEU A 56 1.662 14.999 3.688 1.00 0.40 C ATOM 576 CD1 LEU A 56 2.591 14.558 4.805 1.00 0.49 C ATOM 577 CD2 LEU A 56 2.035 14.310 2.389 1.00 0.48 C ATOM 0 H LEU A 56 -0.640 17.122 3.616 1.00 0.28 H new ATOM 0 HA LEU A 56 -0.592 14.621 2.064 1.00 0.31 H new ATOM 0 HB2 LEU A 56 -0.028 15.220 4.987 1.00 0.38 H new ATOM 0 HB3 LEU A 56 0.096 13.642 4.234 1.00 0.38 H new ATOM 0 HG LEU A 56 1.772 16.075 3.553 1.00 0.40 H new ATOM 0 HD11 LEU A 56 3.623 14.772 4.526 1.00 0.49 H new ATOM 0 HD12 LEU A 56 2.343 15.098 5.719 1.00 0.49 H new ATOM 0 HD13 LEU A 56 2.475 13.487 4.973 1.00 0.49 H new ATOM 0 HD21 LEU A 56 3.076 14.527 2.148 1.00 0.48 H new ATOM 0 HD22 LEU A 56 1.905 13.233 2.498 1.00 0.48 H new ATOM 0 HD23 LEU A 56 1.393 14.674 1.587 1.00 0.48 H new ATOM 589 N ILE A 57 -2.798 13.754 2.742 1.00 0.27 N ATOM 590 CA ILE A 57 -4.133 13.268 3.062 1.00 0.26 C ATOM 591 C ILE A 57 -4.072 12.374 4.296 1.00 0.24 C ATOM 592 O ILE A 57 -3.248 11.465 4.372 1.00 0.29 O ATOM 593 CB ILE A 57 -4.746 12.485 1.878 1.00 0.30 C ATOM 594 CG1 ILE A 57 -4.843 13.378 0.633 1.00 0.45 C ATOM 595 CG2 ILE A 57 -6.115 11.927 2.251 1.00 0.35 C ATOM 596 CD1 ILE A 57 -5.778 14.559 0.794 1.00 0.57 C ATOM 0 H ILE A 57 -2.357 13.283 1.952 1.00 0.27 H new ATOM 0 HA ILE A 57 -4.769 14.130 3.262 1.00 0.26 H new ATOM 0 HB ILE A 57 -4.090 11.646 1.646 1.00 0.30 H new ATOM 0 HG12 ILE A 57 -3.848 13.747 0.384 1.00 0.45 H new ATOM 0 HG13 ILE A 57 -5.179 12.774 -0.210 1.00 0.45 H new ATOM 0 HG21 ILE A 57 -6.528 11.380 1.404 1.00 0.35 H new ATOM 0 HG22 ILE A 57 -6.014 11.254 3.103 1.00 0.35 H new ATOM 0 HG23 ILE A 57 -6.783 12.747 2.514 1.00 0.35 H new ATOM 0 HD11 ILE A 57 -5.792 15.141 -0.128 1.00 0.57 H new ATOM 0 HD12 ILE A 57 -6.784 14.200 1.011 1.00 0.57 H new ATOM 0 HD13 ILE A 57 -5.432 15.188 1.615 1.00 0.57 H new ATOM 608 N HIS A 58 -4.929 12.640 5.263 1.00 0.25 N ATOM 609 CA HIS A 58 -4.951 11.864 6.490 1.00 0.27 C ATOM 610 C HIS A 58 -6.247 11.080 6.619 1.00 0.27 C ATOM 611 O HIS A 58 -7.340 11.646 6.564 1.00 0.33 O ATOM 612 CB HIS A 58 -4.777 12.773 7.709 1.00 0.32 C ATOM 613 CG HIS A 58 -3.354 13.148 7.991 1.00 0.39 C ATOM 614 ND1 HIS A 58 -2.608 12.580 9.003 1.00 0.51 N ATOM 615 CD2 HIS A 58 -2.540 14.046 7.387 1.00 0.48 C ATOM 616 CE1 HIS A 58 -1.401 13.113 9.009 1.00 0.61 C ATOM 617 NE2 HIS A 58 -1.335 14.005 8.039 1.00 0.59 N ATOM 0 H HIS A 58 -5.621 13.389 5.223 1.00 0.25 H new ATOM 0 HA HIS A 58 -4.120 11.160 6.448 1.00 0.27 H new ATOM 0 HB2 HIS A 58 -5.358 13.682 7.557 1.00 0.32 H new ATOM 0 HB3 HIS A 58 -5.191 12.273 8.585 1.00 0.32 H new ATOM 0 HD1 HIS A 58 -2.938 11.860 9.646 1.00 0.51 H new ATOM 0 HD2 HIS A 58 -2.793 14.677 6.548 1.00 0.48 H new ATOM 0 HE1 HIS A 58 -0.603 12.862 9.692 1.00 0.61 H new ATOM 626 N PHE A 59 -6.108 9.775 6.762 1.00 0.27 N ATOM 627 CA PHE A 59 -7.243 8.885 6.935 1.00 0.28 C ATOM 628 C PHE A 59 -7.304 8.498 8.403 1.00 0.31 C ATOM 629 O PHE A 59 -6.499 7.688 8.868 1.00 0.36 O ATOM 630 CB PHE A 59 -7.077 7.637 6.066 1.00 0.31 C ATOM 631 CG PHE A 59 -8.369 7.045 5.584 1.00 0.45 C ATOM 632 CD1 PHE A 59 -9.152 7.718 4.663 1.00 0.69 C ATOM 633 CD2 PHE A 59 -8.796 5.810 6.045 1.00 0.63 C ATOM 634 CE1 PHE A 59 -10.338 7.171 4.211 1.00 0.92 C ATOM 635 CE2 PHE A 59 -9.981 5.257 5.595 1.00 0.84 C ATOM 636 CZ PHE A 59 -10.752 5.939 4.676 1.00 0.94 C ATOM 0 H PHE A 59 -5.205 9.301 6.762 1.00 0.27 H new ATOM 0 HA PHE A 59 -8.165 9.382 6.632 1.00 0.28 H new ATOM 0 HB2 PHE A 59 -6.462 7.889 5.202 1.00 0.31 H new ATOM 0 HB3 PHE A 59 -6.534 6.882 6.635 1.00 0.31 H new ATOM 0 HD1 PHE A 59 -8.833 8.681 4.293 1.00 0.69 H new ATOM 0 HD2 PHE A 59 -8.196 5.273 6.765 1.00 0.63 H new ATOM 0 HE1 PHE A 59 -10.941 7.708 3.494 1.00 0.92 H new ATOM 0 HE2 PHE A 59 -10.302 4.293 5.962 1.00 0.84 H new ATOM 0 HZ PHE A 59 -11.677 5.510 4.321 1.00 0.94 H new ATOM 646 N CYS A 60 -8.232 9.078 9.142 1.00 0.33 N ATOM 647 CA CYS A 60 -8.320 8.805 10.562 1.00 0.38 C ATOM 648 C CYS A 60 -9.687 8.283 10.983 1.00 0.38 C ATOM 649 O CYS A 60 -10.712 8.589 10.367 1.00 0.40 O ATOM 650 CB CYS A 60 -7.994 10.082 11.337 1.00 0.43 C ATOM 651 SG CYS A 60 -7.089 11.318 10.370 1.00 0.46 S ATOM 0 H CYS A 60 -8.928 9.734 8.786 1.00 0.33 H new ATOM 0 HA CYS A 60 -7.600 8.019 10.789 1.00 0.38 H new ATOM 0 HB2 CYS A 60 -8.923 10.525 11.695 1.00 0.43 H new ATOM 0 HB3 CYS A 60 -7.405 9.821 12.216 1.00 0.43 H new ATOM 0 HG CYS A 60 -6.075 11.750 11.059 1.00 0.46 H new ATOM 657 N TRP A 61 -9.677 7.481 12.039 1.00 0.39 N ATOM 658 CA TRP A 61 -10.891 6.925 12.606 1.00 0.39 C ATOM 659 C TRP A 61 -11.148 7.620 13.934 1.00 0.42 C ATOM 660 O TRP A 61 -10.370 7.473 14.882 1.00 0.45 O ATOM 661 CB TRP A 61 -10.759 5.412 12.808 1.00 0.40 C ATOM 662 CG TRP A 61 -12.049 4.740 13.185 1.00 0.41 C ATOM 663 CD1 TRP A 61 -13.007 4.271 12.334 1.00 0.43 C ATOM 664 CD2 TRP A 61 -12.523 4.465 14.511 1.00 0.43 C ATOM 665 NE1 TRP A 61 -14.046 3.723 13.046 1.00 0.45 N ATOM 666 CE2 TRP A 61 -13.772 3.829 14.384 1.00 0.45 C ATOM 667 CE3 TRP A 61 -12.013 4.695 15.793 1.00 0.46 C ATOM 668 CZ2 TRP A 61 -14.514 3.418 15.487 1.00 0.49 C ATOM 669 CZ3 TRP A 61 -12.752 4.286 16.887 1.00 0.51 C ATOM 670 CH2 TRP A 61 -13.990 3.656 16.728 1.00 0.52 C ATOM 0 H TRP A 61 -8.825 7.199 12.524 1.00 0.39 H new ATOM 0 HA TRP A 61 -11.727 7.088 11.925 1.00 0.39 H new ATOM 0 HB2 TRP A 61 -10.380 4.963 11.890 1.00 0.40 H new ATOM 0 HB3 TRP A 61 -10.019 5.221 13.585 1.00 0.40 H new ATOM 0 HD1 TRP A 61 -12.956 4.323 11.256 1.00 0.43 H new ATOM 0 HE1 TRP A 61 -14.885 3.305 12.644 1.00 0.45 H new ATOM 0 HE3 TRP A 61 -11.059 5.183 15.926 1.00 0.46 H new ATOM 0 HZ2 TRP A 61 -15.469 2.929 15.368 1.00 0.49 H new ATOM 0 HZ3 TRP A 61 -12.367 4.456 17.882 1.00 0.51 H new ATOM 0 HH2 TRP A 61 -14.544 3.351 17.603 1.00 0.52 H new ATOM 681 N LYS A 62 -12.213 8.397 13.989 1.00 0.46 N ATOM 682 CA LYS A 62 -12.547 9.139 15.192 1.00 0.50 C ATOM 683 C LYS A 62 -13.664 8.467 15.976 1.00 0.51 C ATOM 684 O LYS A 62 -14.715 8.136 15.423 1.00 0.51 O ATOM 685 CB LYS A 62 -12.957 10.563 14.808 1.00 0.57 C ATOM 686 CG LYS A 62 -13.082 11.527 15.977 1.00 0.63 C ATOM 687 CD LYS A 62 -12.999 12.969 15.502 1.00 0.75 C ATOM 688 CE LYS A 62 -13.572 13.937 16.520 1.00 0.93 C ATOM 689 NZ LYS A 62 -13.343 15.348 16.116 1.00 1.04 N ATOM 0 H LYS A 62 -12.863 8.532 13.214 1.00 0.46 H new ATOM 0 HA LYS A 62 -11.667 9.165 15.835 1.00 0.50 H new ATOM 0 HB2 LYS A 62 -12.225 10.960 14.105 1.00 0.57 H new ATOM 0 HB3 LYS A 62 -13.912 10.523 14.285 1.00 0.57 H new ATOM 0 HG2 LYS A 62 -14.030 11.363 16.489 1.00 0.63 H new ATOM 0 HG3 LYS A 62 -12.291 11.332 16.701 1.00 0.63 H new ATOM 0 HD2 LYS A 62 -11.958 13.226 15.303 1.00 0.75 H new ATOM 0 HD3 LYS A 62 -13.538 13.072 14.560 1.00 0.75 H new ATOM 0 HE2 LYS A 62 -14.641 13.758 16.632 1.00 0.93 H new ATOM 0 HE3 LYS A 62 -13.115 13.757 17.493 1.00 0.93 H new ATOM 0 HZ1 LYS A 62 -14.075 15.954 16.540 1.00 1.04 H new ATOM 0 HZ2 LYS A 62 -12.406 15.656 16.445 1.00 1.04 H new ATOM 0 HZ3 LYS A 62 -13.388 15.424 15.080 1.00 1.04 H new ATOM 703 N ASP A 63 -13.423 8.249 17.263 1.00 0.53 N ATOM 704 CA ASP A 63 -14.427 7.652 18.135 1.00 0.55 C ATOM 705 C ASP A 63 -15.528 8.679 18.359 1.00 0.57 C ATOM 706 O ASP A 63 -15.253 9.807 18.764 1.00 0.62 O ATOM 707 CB ASP A 63 -13.802 7.233 19.475 1.00 0.61 C ATOM 708 CG ASP A 63 -14.708 6.333 20.305 1.00 0.65 C ATOM 709 OD1 ASP A 63 -15.917 6.627 20.417 1.00 0.92 O ATOM 710 OD2 ASP A 63 -14.208 5.330 20.868 1.00 1.09 O ATOM 0 H ASP A 63 -12.543 8.476 17.725 1.00 0.53 H new ATOM 0 HA ASP A 63 -14.838 6.756 17.670 1.00 0.55 H new ATOM 0 HB2 ASP A 63 -12.862 6.715 19.284 1.00 0.61 H new ATOM 0 HB3 ASP A 63 -13.562 8.126 20.051 1.00 0.61 H new ATOM 715 N ARG A 64 -16.766 8.296 18.098 1.00 0.58 N ATOM 716 CA ARG A 64 -17.890 9.214 18.236 1.00 0.61 C ATOM 717 C ARG A 64 -18.253 9.471 19.694 1.00 0.66 C ATOM 718 O ARG A 64 -19.074 10.338 19.982 1.00 0.75 O ATOM 719 CB ARG A 64 -19.110 8.682 17.485 1.00 0.63 C ATOM 720 CG ARG A 64 -18.873 8.519 15.994 1.00 0.63 C ATOM 721 CD ARG A 64 -20.162 8.220 15.249 1.00 0.65 C ATOM 722 NE ARG A 64 -21.052 9.378 15.210 1.00 0.78 N ATOM 723 CZ ARG A 64 -22.364 9.320 15.428 1.00 0.91 C ATOM 724 NH1 ARG A 64 -22.947 8.160 15.705 1.00 0.99 N ATOM 725 NH2 ARG A 64 -23.097 10.421 15.357 1.00 1.14 N ATOM 0 H ARG A 64 -17.021 7.358 17.790 1.00 0.58 H new ATOM 0 HA ARG A 64 -17.578 10.164 17.801 1.00 0.61 H new ATOM 0 HB2 ARG A 64 -19.397 7.719 17.908 1.00 0.63 H new ATOM 0 HB3 ARG A 64 -19.948 9.361 17.641 1.00 0.63 H new ATOM 0 HG2 ARG A 64 -18.425 9.429 15.595 1.00 0.63 H new ATOM 0 HG3 ARG A 64 -18.160 7.712 15.825 1.00 0.63 H new ATOM 0 HD2 ARG A 64 -19.929 7.908 14.231 1.00 0.65 H new ATOM 0 HD3 ARG A 64 -20.673 7.386 15.729 1.00 0.65 H new ATOM 0 HE ARG A 64 -20.642 10.289 15.003 1.00 0.78 H new ATOM 0 HH11 ARG A 64 -22.389 7.307 15.752 1.00 0.99 H new ATOM 0 HH12 ARG A 64 -23.953 8.121 15.871 1.00 0.99 H new ATOM 0 HH21 ARG A 64 -22.656 11.314 15.135 1.00 1.14 H new ATOM 0 HH22 ARG A 64 -24.102 10.376 15.524 1.00 1.14 H new ATOM 739 N THR A 65 -17.653 8.728 20.608 1.00 0.68 N ATOM 740 CA THR A 65 -17.945 8.901 22.020 1.00 0.74 C ATOM 741 C THR A 65 -16.914 9.801 22.696 1.00 0.75 C ATOM 742 O THR A 65 -17.246 10.888 23.173 1.00 0.83 O ATOM 743 CB THR A 65 -17.994 7.550 22.749 1.00 0.76 C ATOM 744 OG1 THR A 65 -18.200 6.497 21.802 1.00 0.88 O ATOM 745 CG2 THR A 65 -19.109 7.534 23.784 1.00 0.93 C ATOM 0 H THR A 65 -16.965 8.004 20.400 1.00 0.68 H new ATOM 0 HA THR A 65 -18.924 9.375 22.084 1.00 0.74 H new ATOM 0 HB THR A 65 -17.044 7.400 23.262 1.00 0.76 H new ATOM 0 HG1 THR A 65 -17.374 6.345 21.297 1.00 0.88 H new ATOM 0 HG21 THR A 65 -19.124 6.567 24.287 1.00 0.93 H new ATOM 0 HG22 THR A 65 -18.936 8.322 24.517 1.00 0.93 H new ATOM 0 HG23 THR A 65 -20.066 7.701 23.290 1.00 0.93 H new ATOM 753 N SER A 66 -15.662 9.360 22.725 1.00 0.71 N ATOM 754 CA SER A 66 -14.597 10.128 23.355 1.00 0.75 C ATOM 755 C SER A 66 -14.167 11.299 22.474 1.00 0.73 C ATOM 756 O SER A 66 -13.695 12.323 22.969 1.00 0.79 O ATOM 757 CB SER A 66 -13.401 9.219 23.634 1.00 0.75 C ATOM 758 OG SER A 66 -13.241 8.274 22.588 1.00 0.75 O ATOM 0 H SER A 66 -15.360 8.474 22.319 1.00 0.71 H new ATOM 0 HA SER A 66 -14.975 10.532 24.294 1.00 0.75 H new ATOM 0 HB2 SER A 66 -12.496 9.819 23.732 1.00 0.75 H new ATOM 0 HB3 SER A 66 -13.544 8.700 24.582 1.00 0.75 H new ATOM 0 HG SER A 66 -12.470 7.700 22.780 1.00 0.75 H new ATOM 764 N GLY A 67 -14.342 11.147 21.167 1.00 0.67 N ATOM 765 CA GLY A 67 -13.952 12.193 20.241 1.00 0.67 C ATOM 766 C GLY A 67 -12.465 12.170 19.971 1.00 0.65 C ATOM 767 O GLY A 67 -11.913 13.098 19.381 1.00 0.70 O ATOM 0 H GLY A 67 -14.747 10.318 20.732 1.00 0.67 H new ATOM 0 HA2 GLY A 67 -14.495 12.071 19.304 1.00 0.67 H new ATOM 0 HA3 GLY A 67 -14.234 13.164 20.648 1.00 0.67 H new ATOM 771 N ASN A 68 -11.820 11.099 20.403 1.00 0.63 N ATOM 772 CA ASN A 68 -10.388 10.936 20.217 1.00 0.63 C ATOM 773 C ASN A 68 -10.104 10.157 18.945 1.00 0.58 C ATOM 774 O ASN A 68 -10.863 9.259 18.567 1.00 0.58 O ATOM 775 CB ASN A 68 -9.765 10.213 21.417 1.00 0.68 C ATOM 776 CG ASN A 68 -9.470 11.149 22.577 1.00 0.85 C ATOM 777 OD1 ASN A 68 -9.189 12.330 22.382 1.00 1.01 O ATOM 778 ND2 ASN A 68 -9.517 10.627 23.794 1.00 1.01 N ATOM 0 H ASN A 68 -12.270 10.323 20.889 1.00 0.63 H new ATOM 0 HA ASN A 68 -9.943 11.927 20.134 1.00 0.63 H new ATOM 0 HB2 ASN A 68 -10.441 9.426 21.753 1.00 0.68 H new ATOM 0 HB3 ASN A 68 -8.841 9.727 21.104 1.00 0.68 H new ATOM 0 HD21 ASN A 68 -9.316 11.210 24.607 1.00 1.01 H new ATOM 0 HD22 ASN A 68 -9.754 9.643 23.918 1.00 1.01 H new ATOM 785 N VAL A 69 -9.021 10.513 18.279 1.00 0.56 N ATOM 786 CA VAL A 69 -8.627 9.844 17.052 1.00 0.53 C ATOM 787 C VAL A 69 -7.651 8.720 17.369 1.00 0.51 C ATOM 788 O VAL A 69 -6.548 8.968 17.864 1.00 0.59 O ATOM 789 CB VAL A 69 -7.976 10.828 16.057 1.00 0.57 C ATOM 790 CG1 VAL A 69 -7.523 10.104 14.797 1.00 0.60 C ATOM 791 CG2 VAL A 69 -8.938 11.958 15.713 1.00 0.63 C ATOM 0 H VAL A 69 -8.396 11.265 18.569 1.00 0.56 H new ATOM 0 HA VAL A 69 -9.525 9.436 16.588 1.00 0.53 H new ATOM 0 HB VAL A 69 -7.096 11.261 16.533 1.00 0.57 H new ATOM 0 HG11 VAL A 69 -7.067 10.818 14.111 1.00 0.60 H new ATOM 0 HG12 VAL A 69 -6.794 9.338 15.060 1.00 0.60 H new ATOM 0 HG13 VAL A 69 -8.383 9.637 14.317 1.00 0.60 H new ATOM 0 HG21 VAL A 69 -8.461 12.641 15.010 1.00 0.63 H new ATOM 0 HG22 VAL A 69 -9.839 11.544 15.261 1.00 0.63 H new ATOM 0 HG23 VAL A 69 -9.204 12.499 16.621 1.00 0.63 H new ATOM 801 N GLU A 70 -8.060 7.490 17.098 1.00 0.49 N ATOM 802 CA GLU A 70 -7.215 6.336 17.364 1.00 0.51 C ATOM 803 C GLU A 70 -6.207 6.144 16.238 1.00 0.50 C ATOM 804 O GLU A 70 -5.026 6.464 16.379 1.00 0.62 O ATOM 805 CB GLU A 70 -8.061 5.069 17.528 1.00 0.55 C ATOM 806 CG GLU A 70 -9.236 5.233 18.478 1.00 0.81 C ATOM 807 CD GLU A 70 -9.799 3.907 18.952 1.00 0.68 C ATOM 808 OE1 GLU A 70 -9.694 2.899 18.215 1.00 0.69 O ATOM 809 OE2 GLU A 70 -10.350 3.867 20.070 1.00 0.71 O ATOM 0 H GLU A 70 -8.970 7.265 16.695 1.00 0.49 H new ATOM 0 HA GLU A 70 -6.677 6.518 18.294 1.00 0.51 H new ATOM 0 HB2 GLU A 70 -8.436 4.765 16.551 1.00 0.55 H new ATOM 0 HB3 GLU A 70 -7.423 4.262 17.890 1.00 0.55 H new ATOM 0 HG2 GLU A 70 -8.920 5.818 19.342 1.00 0.81 H new ATOM 0 HG3 GLU A 70 -10.023 5.800 17.980 1.00 0.81 H new ATOM 816 N ASP A 71 -6.692 5.647 15.112 1.00 0.47 N ATOM 817 CA ASP A 71 -5.847 5.390 13.955 1.00 0.46 C ATOM 818 C ASP A 71 -5.795 6.598 13.031 1.00 0.43 C ATOM 819 O ASP A 71 -6.831 7.152 12.659 1.00 0.46 O ATOM 820 CB ASP A 71 -6.356 4.170 13.177 1.00 0.51 C ATOM 821 CG ASP A 71 -6.228 2.877 13.959 1.00 0.57 C ATOM 822 OD1 ASP A 71 -6.969 2.695 14.949 1.00 0.61 O ATOM 823 OD2 ASP A 71 -5.393 2.026 13.582 1.00 0.73 O ATOM 0 H ASP A 71 -7.675 5.411 14.973 1.00 0.47 H new ATOM 0 HA ASP A 71 -4.840 5.189 14.321 1.00 0.46 H new ATOM 0 HB2 ASP A 71 -7.401 4.326 12.910 1.00 0.51 H new ATOM 0 HB3 ASP A 71 -5.799 4.082 12.244 1.00 0.51 H new ATOM 828 N ASP A 72 -4.583 6.998 12.681 1.00 0.43 N ATOM 829 CA ASP A 72 -4.355 8.123 11.778 1.00 0.42 C ATOM 830 C ASP A 72 -3.250 7.739 10.806 1.00 0.42 C ATOM 831 O ASP A 72 -2.130 7.441 11.226 1.00 0.52 O ATOM 832 CB ASP A 72 -3.960 9.387 12.561 1.00 0.48 C ATOM 833 CG ASP A 72 -3.901 10.636 11.692 1.00 0.59 C ATOM 834 OD1 ASP A 72 -3.144 10.646 10.697 1.00 1.05 O ATOM 835 OD2 ASP A 72 -4.604 11.623 12.008 1.00 0.99 O ATOM 0 H ASP A 72 -3.727 6.554 13.013 1.00 0.43 H new ATOM 0 HA ASP A 72 -5.274 8.346 11.236 1.00 0.42 H new ATOM 0 HB2 ASP A 72 -4.676 9.546 13.367 1.00 0.48 H new ATOM 0 HB3 ASP A 72 -2.987 9.229 13.026 1.00 0.48 H new ATOM 840 N LEU A 73 -3.564 7.718 9.519 1.00 0.36 N ATOM 841 CA LEU A 73 -2.587 7.339 8.506 1.00 0.38 C ATOM 842 C LEU A 73 -2.546 8.345 7.365 1.00 0.34 C ATOM 843 O LEU A 73 -3.538 9.011 7.069 1.00 0.42 O ATOM 844 CB LEU A 73 -2.912 5.945 7.952 1.00 0.44 C ATOM 845 CG LEU A 73 -2.743 4.787 8.943 1.00 0.66 C ATOM 846 CD1 LEU A 73 -3.255 3.491 8.339 1.00 0.93 C ATOM 847 CD2 LEU A 73 -1.285 4.638 9.356 1.00 0.92 C ATOM 0 H LEU A 73 -4.485 7.958 9.151 1.00 0.36 H new ATOM 0 HA LEU A 73 -1.607 7.324 8.983 1.00 0.38 H new ATOM 0 HB2 LEU A 73 -3.941 5.946 7.593 1.00 0.44 H new ATOM 0 HB3 LEU A 73 -2.274 5.758 7.089 1.00 0.44 H new ATOM 0 HG LEU A 73 -3.331 5.013 9.833 1.00 0.66 H new ATOM 0 HD11 LEU A 73 -3.127 2.680 9.056 1.00 0.93 H new ATOM 0 HD12 LEU A 73 -4.312 3.596 8.095 1.00 0.93 H new ATOM 0 HD13 LEU A 73 -2.694 3.265 7.432 1.00 0.93 H new ATOM 0 HD21 LEU A 73 -1.189 3.811 10.059 1.00 0.92 H new ATOM 0 HD22 LEU A 73 -0.676 4.438 8.475 1.00 0.92 H new ATOM 0 HD23 LEU A 73 -0.945 5.559 9.830 1.00 0.92 H new ATOM 859 N ILE A 74 -1.389 8.451 6.726 1.00 0.29 N ATOM 860 CA ILE A 74 -1.217 9.361 5.604 1.00 0.28 C ATOM 861 C ILE A 74 -1.435 8.609 4.292 1.00 0.30 C ATOM 862 O ILE A 74 -0.752 7.626 4.007 1.00 0.51 O ATOM 863 CB ILE A 74 0.179 10.013 5.608 1.00 0.30 C ATOM 864 CG1 ILE A 74 0.561 10.459 7.022 1.00 0.43 C ATOM 865 CG2 ILE A 74 0.201 11.202 4.659 1.00 0.33 C ATOM 866 CD1 ILE A 74 1.992 10.935 7.145 1.00 0.59 C ATOM 0 H ILE A 74 -0.554 7.916 6.967 1.00 0.29 H new ATOM 0 HA ILE A 74 -1.956 10.156 5.701 1.00 0.28 H new ATOM 0 HB ILE A 74 0.908 9.276 5.271 1.00 0.30 H new ATOM 0 HG12 ILE A 74 -0.107 11.262 7.333 1.00 0.43 H new ATOM 0 HG13 ILE A 74 0.403 9.629 7.710 1.00 0.43 H new ATOM 0 HG21 ILE A 74 1.192 11.657 4.668 1.00 0.33 H new ATOM 0 HG22 ILE A 74 -0.035 10.866 3.649 1.00 0.33 H new ATOM 0 HG23 ILE A 74 -0.538 11.936 4.979 1.00 0.33 H new ATOM 0 HD11 ILE A 74 2.189 11.234 8.174 1.00 0.59 H new ATOM 0 HD12 ILE A 74 2.669 10.128 6.866 1.00 0.59 H new ATOM 0 HD13 ILE A 74 2.150 11.786 6.483 1.00 0.59 H new ATOM 878 N ILE A 75 -2.380 9.084 3.496 1.00 0.24 N ATOM 879 CA ILE A 75 -2.723 8.435 2.239 1.00 0.23 C ATOM 880 C ILE A 75 -2.022 9.074 1.045 1.00 0.24 C ATOM 881 O ILE A 75 -1.892 10.298 0.956 1.00 0.26 O ATOM 882 CB ILE A 75 -4.249 8.465 2.011 1.00 0.27 C ATOM 883 CG1 ILE A 75 -4.982 7.902 3.232 1.00 0.28 C ATOM 884 CG2 ILE A 75 -4.617 7.682 0.760 1.00 0.32 C ATOM 885 CD1 ILE A 75 -4.624 6.466 3.546 1.00 0.31 C ATOM 0 H ILE A 75 -2.926 9.921 3.699 1.00 0.24 H new ATOM 0 HA ILE A 75 -2.381 7.403 2.317 1.00 0.23 H new ATOM 0 HB ILE A 75 -4.557 9.501 1.870 1.00 0.27 H new ATOM 0 HG12 ILE A 75 -4.755 8.522 4.099 1.00 0.28 H new ATOM 0 HG13 ILE A 75 -6.057 7.971 3.064 1.00 0.28 H new ATOM 0 HG21 ILE A 75 -5.697 7.714 0.615 1.00 0.32 H new ATOM 0 HG22 ILE A 75 -4.122 8.124 -0.105 1.00 0.32 H new ATOM 0 HG23 ILE A 75 -4.297 6.646 0.872 1.00 0.32 H new ATOM 0 HD11 ILE A 75 -5.181 6.135 4.422 1.00 0.31 H new ATOM 0 HD12 ILE A 75 -4.877 5.833 2.695 1.00 0.31 H new ATOM 0 HD13 ILE A 75 -3.555 6.393 3.747 1.00 0.31 H new ATOM 897 N PHE A 76 -1.575 8.222 0.130 1.00 0.27 N ATOM 898 CA PHE A 76 -0.900 8.655 -1.080 1.00 0.31 C ATOM 899 C PHE A 76 -1.460 7.896 -2.277 1.00 0.32 C ATOM 900 O PHE A 76 -1.907 6.755 -2.133 1.00 0.35 O ATOM 901 CB PHE A 76 0.610 8.411 -0.972 1.00 0.34 C ATOM 902 CG PHE A 76 1.265 9.162 0.151 1.00 0.39 C ATOM 903 CD1 PHE A 76 1.748 10.446 -0.041 1.00 0.50 C ATOM 904 CD2 PHE A 76 1.394 8.581 1.400 1.00 0.40 C ATOM 905 CE1 PHE A 76 2.353 11.133 0.992 1.00 0.58 C ATOM 906 CE2 PHE A 76 1.997 9.261 2.438 1.00 0.50 C ATOM 907 CZ PHE A 76 2.475 10.543 2.233 1.00 0.58 C ATOM 0 H PHE A 76 -1.672 7.210 0.210 1.00 0.27 H new ATOM 0 HA PHE A 76 -1.070 9.723 -1.213 1.00 0.31 H new ATOM 0 HB2 PHE A 76 0.788 7.344 -0.836 1.00 0.34 H new ATOM 0 HB3 PHE A 76 1.083 8.696 -1.912 1.00 0.34 H new ATOM 0 HD1 PHE A 76 1.650 10.914 -1.009 1.00 0.50 H new ATOM 0 HD2 PHE A 76 1.018 7.582 1.565 1.00 0.40 H new ATOM 0 HE1 PHE A 76 2.731 12.132 0.829 1.00 0.58 H new ATOM 0 HE2 PHE A 76 2.096 8.794 3.407 1.00 0.50 H new ATOM 0 HZ PHE A 76 2.943 11.081 3.044 1.00 0.58 H new ATOM 917 N PRO A 77 -1.448 8.510 -3.470 1.00 0.36 N ATOM 918 CA PRO A 77 -1.954 7.878 -4.692 1.00 0.38 C ATOM 919 C PRO A 77 -1.074 6.722 -5.171 1.00 0.33 C ATOM 920 O PRO A 77 0.011 6.483 -4.634 1.00 0.33 O ATOM 921 CB PRO A 77 -1.941 9.013 -5.729 1.00 0.45 C ATOM 922 CG PRO A 77 -1.698 10.269 -4.964 1.00 0.55 C ATOM 923 CD PRO A 77 -0.954 9.869 -3.726 1.00 0.44 C ATOM 0 HA PRO A 77 -2.938 7.440 -4.529 1.00 0.38 H new ATOM 0 HB2 PRO A 77 -1.160 8.852 -6.473 1.00 0.45 H new ATOM 0 HB3 PRO A 77 -2.888 9.061 -6.266 1.00 0.45 H new ATOM 0 HG2 PRO A 77 -1.118 10.978 -5.555 1.00 0.55 H new ATOM 0 HG3 PRO A 77 -2.638 10.759 -4.712 1.00 0.55 H new ATOM 0 HD2 PRO A 77 0.125 9.884 -3.881 1.00 0.44 H new ATOM 0 HD3 PRO A 77 -1.166 10.539 -2.893 1.00 0.44 H new ATOM 931 N ASP A 78 -1.569 6.020 -6.197 1.00 0.40 N ATOM 932 CA ASP A 78 -0.883 4.877 -6.818 1.00 0.46 C ATOM 933 C ASP A 78 -0.505 3.808 -5.792 1.00 0.45 C ATOM 934 O ASP A 78 0.386 2.995 -6.044 1.00 0.60 O ATOM 935 CB ASP A 78 0.383 5.303 -7.610 1.00 0.53 C ATOM 936 CG ASP A 78 0.502 6.797 -7.844 1.00 0.98 C ATOM 937 OD1 ASP A 78 -0.269 7.340 -8.665 1.00 1.34 O ATOM 938 OD2 ASP A 78 1.380 7.437 -7.213 1.00 1.36 O ATOM 0 H ASP A 78 -2.470 6.232 -6.626 1.00 0.40 H new ATOM 0 HA ASP A 78 -1.601 4.453 -7.520 1.00 0.46 H new ATOM 0 HB2 ASP A 78 1.266 4.960 -7.071 1.00 0.53 H new ATOM 0 HB3 ASP A 78 0.381 4.795 -8.575 1.00 0.53 H new ATOM 943 N ASP A 79 -1.184 3.787 -4.647 1.00 0.53 N ATOM 944 CA ASP A 79 -0.869 2.802 -3.612 1.00 0.61 C ATOM 945 C ASP A 79 -2.042 2.516 -2.679 1.00 0.59 C ATOM 946 O ASP A 79 -1.889 1.788 -1.699 1.00 1.11 O ATOM 947 CB ASP A 79 0.315 3.284 -2.777 1.00 0.80 C ATOM 948 CG ASP A 79 1.488 2.332 -2.828 1.00 1.12 C ATOM 949 OD1 ASP A 79 1.330 1.218 -3.355 1.00 1.44 O ATOM 950 OD2 ASP A 79 2.584 2.708 -2.360 1.00 1.74 O ATOM 0 H ASP A 79 -1.943 4.428 -4.414 1.00 0.53 H new ATOM 0 HA ASP A 79 -0.628 1.876 -4.133 1.00 0.61 H new ATOM 0 HB2 ASP A 79 0.631 4.264 -3.134 1.00 0.80 H new ATOM 0 HB3 ASP A 79 -0.002 3.409 -1.742 1.00 0.80 H new ATOM 955 N CYS A 80 -3.212 3.059 -2.976 1.00 0.50 N ATOM 956 CA CYS A 80 -4.372 2.851 -2.118 1.00 0.46 C ATOM 957 C CYS A 80 -5.568 2.320 -2.903 1.00 0.43 C ATOM 958 O CYS A 80 -5.732 2.624 -4.088 1.00 0.60 O ATOM 959 CB CYS A 80 -4.738 4.153 -1.412 1.00 0.63 C ATOM 960 SG CYS A 80 -3.384 4.851 -0.432 1.00 0.90 S ATOM 0 H CYS A 80 -3.385 3.641 -3.795 1.00 0.50 H new ATOM 0 HA CYS A 80 -4.107 2.099 -1.375 1.00 0.46 H new ATOM 0 HB2 CYS A 80 -5.051 4.885 -2.157 1.00 0.63 H new ATOM 0 HB3 CYS A 80 -5.593 3.975 -0.760 1.00 0.63 H new ATOM 0 HG CYS A 80 -2.626 5.579 -1.196 1.00 0.90 H new ATOM 966 N GLU A 81 -6.394 1.522 -2.235 1.00 0.34 N ATOM 967 CA GLU A 81 -7.577 0.938 -2.854 1.00 0.39 C ATOM 968 C GLU A 81 -8.667 0.690 -1.810 1.00 0.36 C ATOM 969 O GLU A 81 -8.425 0.042 -0.793 1.00 0.45 O ATOM 970 CB GLU A 81 -7.203 -0.380 -3.535 1.00 0.49 C ATOM 971 CG GLU A 81 -8.323 -0.992 -4.360 1.00 0.74 C ATOM 972 CD GLU A 81 -7.998 -2.402 -4.795 1.00 0.94 C ATOM 973 OE1 GLU A 81 -6.970 -2.598 -5.473 1.00 1.32 O ATOM 974 OE2 GLU A 81 -8.756 -3.326 -4.440 1.00 1.15 O ATOM 0 H GLU A 81 -6.264 1.264 -1.257 1.00 0.34 H new ATOM 0 HA GLU A 81 -7.962 1.637 -3.597 1.00 0.39 H new ATOM 0 HB2 GLU A 81 -6.341 -0.211 -4.181 1.00 0.49 H new ATOM 0 HB3 GLU A 81 -6.895 -1.096 -2.773 1.00 0.49 H new ATOM 0 HG2 GLU A 81 -9.243 -0.995 -3.776 1.00 0.74 H new ATOM 0 HG3 GLU A 81 -8.505 -0.374 -5.239 1.00 0.74 H new ATOM 981 N PHE A 82 -9.859 1.213 -2.061 1.00 0.34 N ATOM 982 CA PHE A 82 -10.984 1.039 -1.151 1.00 0.32 C ATOM 983 C PHE A 82 -12.151 0.403 -1.902 1.00 0.33 C ATOM 984 O PHE A 82 -12.718 1.016 -2.803 1.00 0.42 O ATOM 985 CB PHE A 82 -11.398 2.395 -0.566 1.00 0.35 C ATOM 986 CG PHE A 82 -12.405 2.311 0.547 1.00 0.34 C ATOM 987 CD1 PHE A 82 -12.030 1.866 1.803 1.00 0.43 C ATOM 988 CD2 PHE A 82 -13.722 2.690 0.340 1.00 0.44 C ATOM 989 CE1 PHE A 82 -12.948 1.799 2.833 1.00 0.48 C ATOM 990 CE2 PHE A 82 -14.647 2.624 1.365 1.00 0.47 C ATOM 991 CZ PHE A 82 -14.259 2.177 2.613 1.00 0.43 C ATOM 0 H PHE A 82 -10.073 1.764 -2.892 1.00 0.34 H new ATOM 0 HA PHE A 82 -10.691 0.384 -0.331 1.00 0.32 H new ATOM 0 HB2 PHE A 82 -10.508 2.904 -0.196 1.00 0.35 H new ATOM 0 HB3 PHE A 82 -11.809 3.011 -1.365 1.00 0.35 H new ATOM 0 HD1 PHE A 82 -11.007 1.568 1.980 1.00 0.43 H new ATOM 0 HD2 PHE A 82 -14.029 3.041 -0.634 1.00 0.44 H new ATOM 0 HE1 PHE A 82 -12.642 1.452 3.809 1.00 0.48 H new ATOM 0 HE2 PHE A 82 -15.671 2.921 1.190 1.00 0.47 H new ATOM 0 HZ PHE A 82 -14.979 2.123 3.416 1.00 0.43 H new ATOM 1001 N LYS A 83 -12.504 -0.822 -1.545 1.00 0.34 N ATOM 1002 CA LYS A 83 -13.595 -1.512 -2.223 1.00 0.38 C ATOM 1003 C LYS A 83 -14.487 -2.252 -1.232 1.00 0.37 C ATOM 1004 O LYS A 83 -14.164 -2.359 -0.052 1.00 0.38 O ATOM 1005 CB LYS A 83 -13.040 -2.490 -3.266 1.00 0.46 C ATOM 1006 CG LYS A 83 -12.135 -3.569 -2.687 1.00 0.53 C ATOM 1007 CD LYS A 83 -11.714 -4.567 -3.755 1.00 0.69 C ATOM 1008 CE LYS A 83 -10.855 -5.684 -3.179 1.00 1.06 C ATOM 1009 NZ LYS A 83 -9.559 -5.179 -2.653 1.00 1.44 N ATOM 0 H LYS A 83 -12.058 -1.356 -0.799 1.00 0.34 H new ATOM 0 HA LYS A 83 -14.203 -0.760 -2.726 1.00 0.38 H new ATOM 0 HB2 LYS A 83 -13.874 -2.968 -3.780 1.00 0.46 H new ATOM 0 HB3 LYS A 83 -12.483 -1.928 -4.016 1.00 0.46 H new ATOM 0 HG2 LYS A 83 -11.250 -3.108 -2.248 1.00 0.53 H new ATOM 0 HG3 LYS A 83 -12.655 -4.090 -1.883 1.00 0.53 H new ATOM 0 HD2 LYS A 83 -12.601 -4.995 -4.222 1.00 0.69 H new ATOM 0 HD3 LYS A 83 -11.160 -4.049 -4.538 1.00 0.69 H new ATOM 0 HE2 LYS A 83 -11.400 -6.184 -2.379 1.00 1.06 H new ATOM 0 HE3 LYS A 83 -10.666 -6.430 -3.951 1.00 1.06 H new ATOM 0 HZ1 LYS A 83 -8.823 -5.901 -2.792 1.00 1.44 H new ATOM 0 HZ2 LYS A 83 -9.293 -4.311 -3.161 1.00 1.44 H new ATOM 0 HZ3 LYS A 83 -9.653 -4.971 -1.638 1.00 1.44 H new ATOM 1023 N ARG A 84 -15.611 -2.755 -1.725 1.00 0.42 N ATOM 1024 CA ARG A 84 -16.566 -3.483 -0.899 1.00 0.43 C ATOM 1025 C ARG A 84 -16.305 -4.982 -0.977 1.00 0.44 C ATOM 1026 O ARG A 84 -16.010 -5.510 -2.051 1.00 0.49 O ATOM 1027 CB ARG A 84 -17.993 -3.183 -1.369 1.00 0.47 C ATOM 1028 CG ARG A 84 -19.073 -3.942 -0.608 1.00 0.57 C ATOM 1029 CD ARG A 84 -20.416 -3.865 -1.320 1.00 0.61 C ATOM 1030 NE ARG A 84 -20.338 -4.368 -2.694 1.00 0.71 N ATOM 1031 CZ ARG A 84 -21.111 -5.337 -3.189 1.00 0.78 C ATOM 1032 NH1 ARG A 84 -22.028 -5.926 -2.428 1.00 0.88 N ATOM 1033 NH2 ARG A 84 -20.965 -5.723 -4.451 1.00 0.96 N ATOM 0 H ARG A 84 -15.886 -2.671 -2.704 1.00 0.42 H new ATOM 0 HA ARG A 84 -16.449 -3.160 0.135 1.00 0.43 H new ATOM 0 HB2 ARG A 84 -18.179 -2.113 -1.271 1.00 0.47 H new ATOM 0 HB3 ARG A 84 -18.073 -3.425 -2.429 1.00 0.47 H new ATOM 0 HG2 ARG A 84 -18.777 -4.985 -0.499 1.00 0.57 H new ATOM 0 HG3 ARG A 84 -19.169 -3.531 0.397 1.00 0.57 H new ATOM 0 HD2 ARG A 84 -21.155 -4.442 -0.764 1.00 0.61 H new ATOM 0 HD3 ARG A 84 -20.762 -2.831 -1.331 1.00 0.61 H new ATOM 0 HE ARG A 84 -19.646 -3.949 -3.315 1.00 0.71 H new ATOM 0 HH11 ARG A 84 -22.146 -5.638 -1.457 1.00 0.88 H new ATOM 0 HH12 ARG A 84 -22.614 -6.666 -2.816 1.00 0.88 H new ATOM 0 HH21 ARG A 84 -20.262 -5.279 -5.042 1.00 0.96 H new ATOM 0 HH22 ARG A 84 -21.556 -6.464 -4.829 1.00 0.96 H new ATOM 1047 N VAL A 85 -16.408 -5.659 0.158 1.00 0.45 N ATOM 1048 CA VAL A 85 -16.200 -7.099 0.204 1.00 0.49 C ATOM 1049 C VAL A 85 -17.460 -7.815 -0.272 1.00 0.55 C ATOM 1050 O VAL A 85 -18.514 -7.708 0.353 1.00 0.59 O ATOM 1051 CB VAL A 85 -15.850 -7.586 1.627 1.00 0.52 C ATOM 1052 CG1 VAL A 85 -15.412 -9.043 1.606 1.00 0.61 C ATOM 1053 CG2 VAL A 85 -14.773 -6.712 2.250 1.00 0.50 C ATOM 0 H VAL A 85 -16.634 -5.235 1.058 1.00 0.45 H new ATOM 0 HA VAL A 85 -15.360 -7.331 -0.450 1.00 0.49 H new ATOM 0 HB VAL A 85 -16.748 -7.507 2.240 1.00 0.52 H new ATOM 0 HG11 VAL A 85 -15.170 -9.365 2.619 1.00 0.61 H new ATOM 0 HG12 VAL A 85 -16.220 -9.660 1.212 1.00 0.61 H new ATOM 0 HG13 VAL A 85 -14.532 -9.149 0.972 1.00 0.61 H new ATOM 0 HG21 VAL A 85 -14.544 -7.075 3.252 1.00 0.50 H new ATOM 0 HG22 VAL A 85 -13.873 -6.750 1.636 1.00 0.50 H new ATOM 0 HG23 VAL A 85 -15.129 -5.683 2.310 1.00 0.50 H new ATOM 1063 N PRO A 86 -17.374 -8.549 -1.386 1.00 0.61 N ATOM 1064 CA PRO A 86 -18.524 -9.266 -1.946 1.00 0.69 C ATOM 1065 C PRO A 86 -18.984 -10.433 -1.074 1.00 0.68 C ATOM 1066 O PRO A 86 -20.173 -10.752 -1.028 1.00 0.77 O ATOM 1067 CB PRO A 86 -18.004 -9.772 -3.291 1.00 0.81 C ATOM 1068 CG PRO A 86 -16.525 -9.831 -3.145 1.00 0.80 C ATOM 1069 CD PRO A 86 -16.152 -8.733 -2.193 1.00 0.64 C ATOM 0 HA PRO A 86 -19.400 -8.622 -2.023 1.00 0.69 H new ATOM 0 HB2 PRO A 86 -18.415 -10.754 -3.527 1.00 0.81 H new ATOM 0 HB3 PRO A 86 -18.293 -9.102 -4.101 1.00 0.81 H new ATOM 0 HG2 PRO A 86 -16.211 -10.802 -2.762 1.00 0.80 H new ATOM 0 HG3 PRO A 86 -16.033 -9.694 -4.108 1.00 0.80 H new ATOM 0 HD2 PRO A 86 -15.300 -9.011 -1.573 1.00 0.64 H new ATOM 0 HD3 PRO A 86 -15.878 -7.820 -2.721 1.00 0.64 H new ATOM 1077 N GLN A 87 -18.053 -11.062 -0.370 1.00 0.67 N ATOM 1078 CA GLN A 87 -18.388 -12.196 0.483 1.00 0.70 C ATOM 1079 C GLN A 87 -18.817 -11.730 1.871 1.00 0.70 C ATOM 1080 O GLN A 87 -18.099 -11.920 2.853 1.00 1.01 O ATOM 1081 CB GLN A 87 -17.207 -13.162 0.594 1.00 0.78 C ATOM 1082 CG GLN A 87 -16.861 -13.860 -0.713 1.00 0.91 C ATOM 1083 CD GLN A 87 -18.073 -14.465 -1.397 1.00 1.00 C ATOM 1084 OE1 GLN A 87 -18.738 -13.810 -2.203 1.00 1.05 O ATOM 1085 NE2 GLN A 87 -18.367 -15.718 -1.089 1.00 1.21 N ATOM 0 H GLN A 87 -17.065 -10.809 -0.372 1.00 0.67 H new ATOM 0 HA GLN A 87 -19.225 -12.721 0.022 1.00 0.70 H new ATOM 0 HB2 GLN A 87 -16.333 -12.614 0.945 1.00 0.78 H new ATOM 0 HB3 GLN A 87 -17.435 -13.915 1.348 1.00 0.78 H new ATOM 0 HG2 GLN A 87 -16.389 -13.145 -1.387 1.00 0.91 H new ATOM 0 HG3 GLN A 87 -16.130 -14.645 -0.518 1.00 0.91 H new ATOM 0 HE21 GLN A 87 -17.792 -16.226 -0.417 1.00 1.21 H new ATOM 0 HE22 GLN A 87 -19.169 -16.175 -1.524 1.00 1.21 H new ATOM 1094 N CYS A 88 -19.977 -11.097 1.933 1.00 0.73 N ATOM 1095 CA CYS A 88 -20.532 -10.606 3.187 1.00 0.71 C ATOM 1096 C CYS A 88 -22.053 -10.586 3.100 1.00 0.71 C ATOM 1097 O CYS A 88 -22.612 -10.042 2.147 1.00 0.74 O ATOM 1098 CB CYS A 88 -20.006 -9.204 3.501 1.00 0.73 C ATOM 1099 SG CYS A 88 -18.255 -9.153 3.948 1.00 1.44 S ATOM 0 H CYS A 88 -20.561 -10.909 1.118 1.00 0.73 H new ATOM 0 HA CYS A 88 -20.224 -11.274 3.991 1.00 0.71 H new ATOM 0 HB2 CYS A 88 -20.167 -8.565 2.633 1.00 0.73 H new ATOM 0 HB3 CYS A 88 -20.591 -8.783 4.319 1.00 0.73 H new ATOM 0 HG CYS A 88 -17.706 -10.302 3.685 1.00 1.44 H new ATOM 1105 N PRO A 89 -22.740 -11.194 4.081 1.00 0.75 N ATOM 1106 CA PRO A 89 -24.209 -11.248 4.102 1.00 0.79 C ATOM 1107 C PRO A 89 -24.857 -9.865 4.136 1.00 0.74 C ATOM 1108 O PRO A 89 -25.873 -9.631 3.479 1.00 0.79 O ATOM 1109 CB PRO A 89 -24.523 -12.016 5.389 1.00 0.88 C ATOM 1110 CG PRO A 89 -23.273 -12.744 5.741 1.00 0.92 C ATOM 1111 CD PRO A 89 -22.145 -11.897 5.236 1.00 0.81 C ATOM 0 HA PRO A 89 -24.602 -11.716 3.200 1.00 0.79 H new ATOM 0 HB2 PRO A 89 -24.818 -11.336 6.188 1.00 0.88 H new ATOM 0 HB3 PRO A 89 -25.350 -12.709 5.239 1.00 0.88 H new ATOM 0 HG2 PRO A 89 -23.198 -12.892 6.818 1.00 0.92 H new ATOM 0 HG3 PRO A 89 -23.255 -13.732 5.282 1.00 0.92 H new ATOM 0 HD2 PRO A 89 -21.795 -11.198 5.996 1.00 0.81 H new ATOM 0 HD3 PRO A 89 -21.288 -12.502 4.941 1.00 0.81 H new ATOM 1119 N SER A 90 -24.277 -8.956 4.908 1.00 0.71 N ATOM 1120 CA SER A 90 -24.805 -7.605 5.016 1.00 0.71 C ATOM 1121 C SER A 90 -24.482 -6.796 3.762 1.00 0.65 C ATOM 1122 O SER A 90 -25.303 -6.009 3.288 1.00 0.72 O ATOM 1123 CB SER A 90 -24.224 -6.917 6.249 1.00 0.75 C ATOM 1124 OG SER A 90 -22.864 -7.274 6.431 1.00 0.85 O ATOM 0 H SER A 90 -23.442 -9.130 5.467 1.00 0.71 H new ATOM 0 HA SER A 90 -25.889 -7.664 5.116 1.00 0.71 H new ATOM 0 HB2 SER A 90 -24.310 -5.836 6.142 1.00 0.75 H new ATOM 0 HB3 SER A 90 -24.799 -7.196 7.132 1.00 0.75 H new ATOM 0 HG SER A 90 -22.510 -6.821 7.225 1.00 0.85 H new ATOM 1130 N GLY A 91 -23.280 -6.994 3.235 1.00 0.60 N ATOM 1131 CA GLY A 91 -22.867 -6.281 2.040 1.00 0.60 C ATOM 1132 C GLY A 91 -22.508 -4.834 2.324 1.00 0.57 C ATOM 1133 O GLY A 91 -22.477 -4.003 1.415 1.00 0.64 O ATOM 0 H GLY A 91 -22.583 -7.636 3.613 1.00 0.60 H new ATOM 0 HA2 GLY A 91 -22.008 -6.786 1.598 1.00 0.60 H new ATOM 0 HA3 GLY A 91 -23.670 -6.315 1.304 1.00 0.60 H new ATOM 1137 N ARG A 92 -22.236 -4.532 3.587 1.00 0.52 N ATOM 1138 CA ARG A 92 -21.885 -3.174 3.988 1.00 0.51 C ATOM 1139 C ARG A 92 -20.460 -3.125 4.519 1.00 0.48 C ATOM 1140 O ARG A 92 -20.028 -2.124 5.092 1.00 0.48 O ATOM 1141 CB ARG A 92 -22.857 -2.664 5.049 1.00 0.54 C ATOM 1142 CG ARG A 92 -24.311 -2.723 4.616 1.00 0.58 C ATOM 1143 CD ARG A 92 -25.169 -1.784 5.438 1.00 0.61 C ATOM 1144 NE ARG A 92 -24.942 -0.383 5.091 1.00 0.59 N ATOM 1145 CZ ARG A 92 -25.424 0.636 5.790 1.00 0.59 C ATOM 1146 NH1 ARG A 92 -26.168 0.418 6.865 1.00 0.62 N ATOM 1147 NH2 ARG A 92 -25.185 1.880 5.402 1.00 0.60 N ATOM 0 H ARG A 92 -22.251 -5.207 4.351 1.00 0.52 H new ATOM 0 HA ARG A 92 -21.953 -2.530 3.111 1.00 0.51 H new ATOM 0 HB2 ARG A 92 -22.732 -3.253 5.958 1.00 0.54 H new ATOM 0 HB3 ARG A 92 -22.602 -1.634 5.299 1.00 0.54 H new ATOM 0 HG2 ARG A 92 -24.389 -2.461 3.561 1.00 0.58 H new ATOM 0 HG3 ARG A 92 -24.682 -3.743 4.719 1.00 0.58 H new ATOM 0 HD2 ARG A 92 -26.220 -2.028 5.286 1.00 0.61 H new ATOM 0 HD3 ARG A 92 -24.957 -1.933 6.497 1.00 0.61 H new ATOM 0 HE ARG A 92 -24.381 -0.177 4.264 1.00 0.59 H new ATOM 0 HH11 ARG A 92 -26.373 -0.537 7.159 1.00 0.62 H new ATOM 0 HH12 ARG A 92 -26.536 1.205 7.399 1.00 0.62 H new ATOM 0 HH21 ARG A 92 -24.630 2.055 4.565 1.00 0.60 H new ATOM 0 HH22 ARG A 92 -25.556 2.662 5.941 1.00 0.60 H new ATOM 1161 N VAL A 93 -19.738 -4.217 4.329 1.00 0.47 N ATOM 1162 CA VAL A 93 -18.359 -4.314 4.777 1.00 0.45 C ATOM 1163 C VAL A 93 -17.421 -3.885 3.657 1.00 0.41 C ATOM 1164 O VAL A 93 -17.406 -4.482 2.578 1.00 0.43 O ATOM 1165 CB VAL A 93 -18.001 -5.748 5.225 1.00 0.48 C ATOM 1166 CG1 VAL A 93 -16.605 -5.789 5.826 1.00 0.47 C ATOM 1167 CG2 VAL A 93 -19.031 -6.270 6.219 1.00 0.56 C ATOM 0 H VAL A 93 -20.088 -5.055 3.864 1.00 0.47 H new ATOM 0 HA VAL A 93 -18.244 -3.653 5.636 1.00 0.45 H new ATOM 0 HB VAL A 93 -18.013 -6.395 4.348 1.00 0.48 H new ATOM 0 HG11 VAL A 93 -16.372 -6.808 6.135 1.00 0.47 H new ATOM 0 HG12 VAL A 93 -15.879 -5.460 5.082 1.00 0.47 H new ATOM 0 HG13 VAL A 93 -16.562 -5.128 6.692 1.00 0.47 H new ATOM 0 HG21 VAL A 93 -18.763 -7.282 6.524 1.00 0.56 H new ATOM 0 HG22 VAL A 93 -19.053 -5.621 7.095 1.00 0.56 H new ATOM 0 HG23 VAL A 93 -20.015 -6.281 5.751 1.00 0.56 H new ATOM 1177 N TYR A 94 -16.659 -2.842 3.910 1.00 0.39 N ATOM 1178 CA TYR A 94 -15.722 -2.326 2.936 1.00 0.37 C ATOM 1179 C TYR A 94 -14.303 -2.563 3.425 1.00 0.35 C ATOM 1180 O TYR A 94 -14.073 -2.710 4.625 1.00 0.37 O ATOM 1181 CB TYR A 94 -15.972 -0.838 2.690 1.00 0.38 C ATOM 1182 CG TYR A 94 -17.197 -0.562 1.842 1.00 0.41 C ATOM 1183 CD1 TYR A 94 -18.480 -0.748 2.348 1.00 0.44 C ATOM 1184 CD2 TYR A 94 -17.072 -0.125 0.529 1.00 0.42 C ATOM 1185 CE1 TYR A 94 -19.597 -0.509 1.572 1.00 0.47 C ATOM 1186 CE2 TYR A 94 -18.188 0.117 -0.252 1.00 0.46 C ATOM 1187 CZ TYR A 94 -19.447 -0.078 0.273 1.00 0.48 C ATOM 1188 OH TYR A 94 -20.562 0.156 -0.500 1.00 0.53 O ATOM 0 H TYR A 94 -16.672 -2.330 4.792 1.00 0.39 H new ATOM 0 HA TYR A 94 -15.861 -2.849 1.990 1.00 0.37 H new ATOM 0 HB2 TYR A 94 -16.083 -0.333 3.650 1.00 0.38 H new ATOM 0 HB3 TYR A 94 -15.098 -0.407 2.202 1.00 0.38 H new ATOM 0 HD1 TYR A 94 -18.604 -1.085 3.366 1.00 0.44 H new ATOM 0 HD2 TYR A 94 -16.088 0.028 0.111 1.00 0.42 H new ATOM 0 HE1 TYR A 94 -20.585 -0.660 1.983 1.00 0.47 H new ATOM 0 HE2 TYR A 94 -18.073 0.458 -1.270 1.00 0.46 H new ATOM 0 HH TYR A 94 -20.290 0.305 -1.430 1.00 0.53 H new ATOM 1198 N VAL A 95 -13.354 -2.601 2.505 1.00 0.34 N ATOM 1199 CA VAL A 95 -11.972 -2.850 2.868 1.00 0.33 C ATOM 1200 C VAL A 95 -11.012 -1.870 2.196 1.00 0.31 C ATOM 1201 O VAL A 95 -11.102 -1.600 0.994 1.00 0.31 O ATOM 1202 CB VAL A 95 -11.563 -4.304 2.525 1.00 0.36 C ATOM 1203 CG1 VAL A 95 -11.863 -4.629 1.070 1.00 0.38 C ATOM 1204 CG2 VAL A 95 -10.093 -4.547 2.832 1.00 0.38 C ATOM 0 H VAL A 95 -13.515 -2.463 1.507 1.00 0.34 H new ATOM 0 HA VAL A 95 -11.901 -2.702 3.945 1.00 0.33 H new ATOM 0 HB VAL A 95 -12.157 -4.969 3.152 1.00 0.36 H new ATOM 0 HG11 VAL A 95 -11.566 -5.656 0.858 1.00 0.38 H new ATOM 0 HG12 VAL A 95 -12.931 -4.515 0.884 1.00 0.38 H new ATOM 0 HG13 VAL A 95 -11.308 -3.949 0.423 1.00 0.38 H new ATOM 0 HG21 VAL A 95 -9.834 -5.576 2.581 1.00 0.38 H new ATOM 0 HG22 VAL A 95 -9.481 -3.865 2.242 1.00 0.38 H new ATOM 0 HG23 VAL A 95 -9.909 -4.375 3.893 1.00 0.38 H new ATOM 1214 N LEU A 96 -10.112 -1.328 3.001 1.00 0.31 N ATOM 1215 CA LEU A 96 -9.087 -0.415 2.532 1.00 0.30 C ATOM 1216 C LEU A 96 -7.781 -1.190 2.441 1.00 0.30 C ATOM 1217 O LEU A 96 -7.172 -1.517 3.465 1.00 0.38 O ATOM 1218 CB LEU A 96 -8.932 0.774 3.487 1.00 0.34 C ATOM 1219 CG LEU A 96 -7.866 1.799 3.084 1.00 0.37 C ATOM 1220 CD1 LEU A 96 -8.292 2.567 1.843 1.00 0.43 C ATOM 1221 CD2 LEU A 96 -7.588 2.748 4.238 1.00 0.44 C ATOM 0 H LEU A 96 -10.074 -1.512 4.004 1.00 0.31 H new ATOM 0 HA LEU A 96 -9.365 -0.015 1.557 1.00 0.30 H new ATOM 0 HB2 LEU A 96 -9.892 1.284 3.566 1.00 0.34 H new ATOM 0 HB3 LEU A 96 -8.691 0.393 4.479 1.00 0.34 H new ATOM 0 HG LEU A 96 -6.947 1.264 2.845 1.00 0.37 H new ATOM 0 HD11 LEU A 96 -7.519 3.288 1.578 1.00 0.43 H new ATOM 0 HD12 LEU A 96 -8.438 1.871 1.017 1.00 0.43 H new ATOM 0 HD13 LEU A 96 -9.225 3.093 2.043 1.00 0.43 H new ATOM 0 HD21 LEU A 96 -6.829 3.471 3.940 1.00 0.44 H new ATOM 0 HD22 LEU A 96 -8.505 3.273 4.506 1.00 0.44 H new ATOM 0 HD23 LEU A 96 -7.230 2.181 5.097 1.00 0.44 H new ATOM 1233 N LYS A 97 -7.371 -1.510 1.230 1.00 0.29 N ATOM 1234 CA LYS A 97 -6.158 -2.280 1.021 1.00 0.33 C ATOM 1235 C LYS A 97 -5.085 -1.440 0.345 1.00 0.26 C ATOM 1236 O LYS A 97 -5.329 -0.802 -0.681 1.00 0.32 O ATOM 1237 CB LYS A 97 -6.465 -3.528 0.187 1.00 0.45 C ATOM 1238 CG LYS A 97 -5.274 -4.450 -0.006 1.00 0.51 C ATOM 1239 CD LYS A 97 -5.664 -5.710 -0.764 1.00 0.74 C ATOM 1240 CE LYS A 97 -4.442 -6.489 -1.217 1.00 0.80 C ATOM 1241 NZ LYS A 97 -3.677 -5.764 -2.263 1.00 0.89 N ATOM 0 H LYS A 97 -7.860 -1.249 0.374 1.00 0.29 H new ATOM 0 HA LYS A 97 -5.777 -2.589 1.995 1.00 0.33 H new ATOM 0 HB2 LYS A 97 -7.269 -4.085 0.668 1.00 0.45 H new ATOM 0 HB3 LYS A 97 -6.833 -3.218 -0.791 1.00 0.45 H new ATOM 0 HG2 LYS A 97 -4.490 -3.924 -0.550 1.00 0.51 H new ATOM 0 HG3 LYS A 97 -4.861 -4.721 0.966 1.00 0.51 H new ATOM 0 HD2 LYS A 97 -6.284 -6.342 -0.127 1.00 0.74 H new ATOM 0 HD3 LYS A 97 -6.268 -5.442 -1.631 1.00 0.74 H new ATOM 0 HE2 LYS A 97 -3.795 -6.679 -0.361 1.00 0.80 H new ATOM 0 HE3 LYS A 97 -4.753 -7.460 -1.603 1.00 0.80 H new ATOM 0 HZ1 LYS A 97 -3.049 -6.429 -2.757 1.00 0.89 H new ATOM 0 HZ2 LYS A 97 -4.338 -5.340 -2.945 1.00 0.89 H new ATOM 0 HZ3 LYS A 97 -3.108 -5.014 -1.820 1.00 0.89 H new ATOM 1255 N PHE A 98 -3.905 -1.433 0.940 1.00 0.29 N ATOM 1256 CA PHE A 98 -2.778 -0.690 0.401 1.00 0.30 C ATOM 1257 C PHE A 98 -1.996 -1.573 -0.565 1.00 0.33 C ATOM 1258 O PHE A 98 -1.908 -2.786 -0.371 1.00 0.45 O ATOM 1259 CB PHE A 98 -1.866 -0.212 1.534 1.00 0.39 C ATOM 1260 CG PHE A 98 -2.411 0.957 2.309 1.00 0.44 C ATOM 1261 CD1 PHE A 98 -3.434 0.783 3.229 1.00 0.61 C ATOM 1262 CD2 PHE A 98 -1.891 2.228 2.124 1.00 0.57 C ATOM 1263 CE1 PHE A 98 -3.929 1.855 3.948 1.00 0.76 C ATOM 1264 CE2 PHE A 98 -2.382 3.304 2.839 1.00 0.72 C ATOM 1265 CZ PHE A 98 -3.401 3.117 3.752 1.00 0.77 C ATOM 0 H PHE A 98 -3.701 -1.937 1.803 1.00 0.29 H new ATOM 0 HA PHE A 98 -3.152 0.183 -0.134 1.00 0.30 H new ATOM 0 HB2 PHE A 98 -1.693 -1.041 2.221 1.00 0.39 H new ATOM 0 HB3 PHE A 98 -0.898 0.063 1.115 1.00 0.39 H new ATOM 0 HD1 PHE A 98 -3.849 -0.202 3.386 1.00 0.61 H new ATOM 0 HD2 PHE A 98 -1.093 2.380 1.413 1.00 0.57 H new ATOM 0 HE1 PHE A 98 -4.726 1.707 4.661 1.00 0.76 H new ATOM 0 HE2 PHE A 98 -1.969 4.290 2.684 1.00 0.72 H new ATOM 0 HZ PHE A 98 -3.785 3.956 4.313 1.00 0.77 H new ATOM 1275 N LYS A 99 -1.428 -0.965 -1.594 1.00 0.40 N ATOM 1276 CA LYS A 99 -0.662 -1.701 -2.591 1.00 0.48 C ATOM 1277 C LYS A 99 0.823 -1.704 -2.223 1.00 0.54 C ATOM 1278 O LYS A 99 1.680 -2.141 -2.999 1.00 0.82 O ATOM 1279 CB LYS A 99 -0.880 -1.094 -3.982 1.00 0.54 C ATOM 1280 CG LYS A 99 -2.351 -0.894 -4.329 1.00 0.70 C ATOM 1281 CD LYS A 99 -2.545 -0.513 -5.791 1.00 0.73 C ATOM 1282 CE LYS A 99 -4.011 -0.250 -6.107 1.00 0.91 C ATOM 1283 NZ LYS A 99 -4.245 -0.116 -7.569 1.00 1.11 N ATOM 0 H LYS A 99 -1.482 0.040 -1.762 1.00 0.40 H new ATOM 0 HA LYS A 99 -1.010 -2.734 -2.611 1.00 0.48 H new ATOM 0 HB2 LYS A 99 -0.367 -0.134 -4.036 1.00 0.54 H new ATOM 0 HB3 LYS A 99 -0.422 -1.742 -4.729 1.00 0.54 H new ATOM 0 HG2 LYS A 99 -2.901 -1.811 -4.117 1.00 0.70 H new ATOM 0 HG3 LYS A 99 -2.771 -0.115 -3.692 1.00 0.70 H new ATOM 0 HD2 LYS A 99 -1.957 0.376 -6.018 1.00 0.73 H new ATOM 0 HD3 LYS A 99 -2.171 -1.313 -6.430 1.00 0.73 H new ATOM 0 HE2 LYS A 99 -4.619 -1.065 -5.715 1.00 0.91 H new ATOM 0 HE3 LYS A 99 -4.334 0.660 -5.602 1.00 0.91 H new ATOM 0 HZ1 LYS A 99 -5.255 0.062 -7.744 1.00 1.11 H new ATOM 0 HZ2 LYS A 99 -3.684 0.678 -7.939 1.00 1.11 H new ATOM 0 HZ3 LYS A 99 -3.960 -0.994 -8.048 1.00 1.11 H new ATOM 1297 N ALA A 100 1.112 -1.216 -1.025 1.00 0.55 N ATOM 1298 CA ALA A 100 2.471 -1.162 -0.511 1.00 0.63 C ATOM 1299 C ALA A 100 2.567 -1.962 0.779 1.00 0.62 C ATOM 1300 O ALA A 100 1.887 -1.652 1.758 1.00 1.36 O ATOM 1301 CB ALA A 100 2.893 0.279 -0.271 1.00 0.89 C ATOM 0 H ALA A 100 0.411 -0.847 -0.383 1.00 0.55 H new ATOM 0 HA ALA A 100 3.144 -1.597 -1.250 1.00 0.63 H new ATOM 0 HB1 ALA A 100 3.913 0.300 0.114 1.00 0.89 H new ATOM 0 HB2 ALA A 100 2.847 0.833 -1.209 1.00 0.89 H new ATOM 0 HB3 ALA A 100 2.222 0.739 0.455 1.00 0.89 H new ATOM 1307 N GLY A 101 3.388 -3.002 0.767 1.00 0.78 N ATOM 1308 CA GLY A 101 3.550 -3.833 1.943 1.00 0.83 C ATOM 1309 C GLY A 101 2.336 -4.699 2.214 1.00 0.73 C ATOM 1310 O GLY A 101 1.757 -5.280 1.291 1.00 1.06 O ATOM 0 H GLY A 101 3.946 -3.286 -0.038 1.00 0.78 H new ATOM 0 HA2 GLY A 101 4.425 -4.470 1.816 1.00 0.83 H new ATOM 0 HA3 GLY A 101 3.740 -3.199 2.809 1.00 0.83 H new ATOM 1314 N SER A 102 1.942 -4.778 3.473 1.00 0.51 N ATOM 1315 CA SER A 102 0.795 -5.577 3.868 1.00 0.48 C ATOM 1316 C SER A 102 -0.120 -4.776 4.785 1.00 0.52 C ATOM 1317 O SER A 102 0.104 -4.706 5.996 1.00 1.13 O ATOM 1318 CB SER A 102 1.256 -6.856 4.574 1.00 0.60 C ATOM 1319 OG SER A 102 2.178 -7.580 3.774 1.00 1.00 O ATOM 0 H SER A 102 2.403 -4.295 4.244 1.00 0.51 H new ATOM 0 HA SER A 102 0.240 -5.850 2.971 1.00 0.48 H new ATOM 0 HB2 SER A 102 1.719 -6.602 5.527 1.00 0.60 H new ATOM 0 HB3 SER A 102 0.393 -7.483 4.796 1.00 0.60 H new ATOM 0 HG SER A 102 2.457 -8.390 4.249 1.00 1.00 H new ATOM 1325 N LYS A 103 -1.141 -4.158 4.207 1.00 0.42 N ATOM 1326 CA LYS A 103 -2.086 -3.370 4.985 1.00 0.42 C ATOM 1327 C LYS A 103 -3.510 -3.562 4.473 1.00 0.39 C ATOM 1328 O LYS A 103 -3.850 -3.118 3.374 1.00 0.44 O ATOM 1329 CB LYS A 103 -1.713 -1.884 4.953 1.00 0.52 C ATOM 1330 CG LYS A 103 -1.175 -1.354 6.273 1.00 0.60 C ATOM 1331 CD LYS A 103 -1.097 0.166 6.270 1.00 0.79 C ATOM 1332 CE LYS A 103 -0.646 0.707 7.617 1.00 0.93 C ATOM 1333 NZ LYS A 103 0.836 0.795 7.712 1.00 1.17 N ATOM 0 H LYS A 103 -1.335 -4.187 3.206 1.00 0.42 H new ATOM 0 HA LYS A 103 -2.039 -3.720 6.016 1.00 0.42 H new ATOM 0 HB2 LYS A 103 -0.965 -1.724 4.177 1.00 0.52 H new ATOM 0 HB3 LYS A 103 -2.593 -1.305 4.672 1.00 0.52 H new ATOM 0 HG2 LYS A 103 -1.817 -1.685 7.089 1.00 0.60 H new ATOM 0 HG3 LYS A 103 -0.185 -1.770 6.458 1.00 0.60 H new ATOM 0 HD2 LYS A 103 -0.404 0.494 5.495 1.00 0.79 H new ATOM 0 HD3 LYS A 103 -2.074 0.580 6.020 1.00 0.79 H new ATOM 0 HE2 LYS A 103 -1.079 1.695 7.775 1.00 0.93 H new ATOM 0 HE3 LYS A 103 -1.023 0.063 8.411 1.00 0.93 H new ATOM 0 HZ1 LYS A 103 1.108 1.038 8.686 1.00 1.17 H new ATOM 0 HZ2 LYS A 103 1.255 -0.121 7.454 1.00 1.17 H new ATOM 0 HZ3 LYS A 103 1.182 1.530 7.063 1.00 1.17 H new ATOM 1347 N ARG A 104 -4.327 -4.242 5.269 1.00 0.37 N ATOM 1348 CA ARG A 104 -5.722 -4.499 4.924 1.00 0.38 C ATOM 1349 C ARG A 104 -6.624 -4.092 6.086 1.00 0.37 C ATOM 1350 O ARG A 104 -6.651 -4.754 7.126 1.00 0.51 O ATOM 1351 CB ARG A 104 -5.933 -5.982 4.588 1.00 0.47 C ATOM 1352 CG ARG A 104 -5.229 -6.424 3.317 1.00 0.63 C ATOM 1353 CD ARG A 104 -5.035 -7.931 3.276 1.00 0.86 C ATOM 1354 NE ARG A 104 -3.636 -8.292 3.048 1.00 1.11 N ATOM 1355 CZ ARG A 104 -3.146 -9.526 3.185 1.00 1.40 C ATOM 1356 NH1 ARG A 104 -3.939 -10.530 3.541 1.00 1.85 N ATOM 1357 NH2 ARG A 104 -1.857 -9.750 2.969 1.00 1.70 N ATOM 0 H ARG A 104 -4.043 -4.630 6.169 1.00 0.37 H new ATOM 0 HA ARG A 104 -5.978 -3.908 4.045 1.00 0.38 H new ATOM 0 HB2 ARG A 104 -5.577 -6.589 5.420 1.00 0.47 H new ATOM 0 HB3 ARG A 104 -7.001 -6.175 4.487 1.00 0.47 H new ATOM 0 HG2 ARG A 104 -5.810 -6.108 2.451 1.00 0.63 H new ATOM 0 HG3 ARG A 104 -4.260 -5.930 3.248 1.00 0.63 H new ATOM 0 HD2 ARG A 104 -5.375 -8.367 4.216 1.00 0.86 H new ATOM 0 HD3 ARG A 104 -5.654 -8.356 2.485 1.00 0.86 H new ATOM 0 HE ARG A 104 -2.993 -7.552 2.766 1.00 1.11 H new ATOM 0 HH11 ARG A 104 -4.930 -10.361 3.712 1.00 1.85 H new ATOM 0 HH12 ARG A 104 -3.557 -11.470 3.644 1.00 1.85 H new ATOM 0 HH21 ARG A 104 -1.244 -8.981 2.699 1.00 1.70 H new ATOM 0 HH22 ARG A 104 -1.479 -10.692 3.073 1.00 1.70 H new ATOM 1371 N LEU A 105 -7.335 -2.987 5.923 1.00 0.33 N ATOM 1372 CA LEU A 105 -8.230 -2.498 6.965 1.00 0.34 C ATOM 1373 C LEU A 105 -9.681 -2.716 6.568 1.00 0.33 C ATOM 1374 O LEU A 105 -10.092 -2.347 5.471 1.00 0.39 O ATOM 1375 CB LEU A 105 -7.978 -1.010 7.234 1.00 0.37 C ATOM 1376 CG LEU A 105 -6.536 -0.645 7.604 1.00 0.50 C ATOM 1377 CD1 LEU A 105 -6.398 0.858 7.787 1.00 0.70 C ATOM 1378 CD2 LEU A 105 -6.100 -1.378 8.864 1.00 0.82 C ATOM 0 H LEU A 105 -7.311 -2.411 5.081 1.00 0.33 H new ATOM 0 HA LEU A 105 -8.029 -3.059 7.878 1.00 0.34 H new ATOM 0 HB2 LEU A 105 -8.262 -0.444 6.347 1.00 0.37 H new ATOM 0 HB3 LEU A 105 -8.635 -0.687 8.041 1.00 0.37 H new ATOM 0 HG LEU A 105 -5.885 -0.956 6.787 1.00 0.50 H new ATOM 0 HD11 LEU A 105 -5.368 1.100 8.049 1.00 0.70 H new ATOM 0 HD12 LEU A 105 -6.664 1.364 6.859 1.00 0.70 H new ATOM 0 HD13 LEU A 105 -7.063 1.190 8.584 1.00 0.70 H new ATOM 0 HD21 LEU A 105 -5.074 -1.104 9.108 1.00 0.82 H new ATOM 0 HD22 LEU A 105 -6.755 -1.102 9.690 1.00 0.82 H new ATOM 0 HD23 LEU A 105 -6.158 -2.454 8.698 1.00 0.82 H new ATOM 1390 N PHE A 106 -10.455 -3.311 7.460 1.00 0.34 N ATOM 1391 CA PHE A 106 -11.859 -3.581 7.184 1.00 0.34 C ATOM 1392 C PHE A 106 -12.760 -2.654 7.992 1.00 0.35 C ATOM 1393 O PHE A 106 -12.506 -2.396 9.169 1.00 0.37 O ATOM 1394 CB PHE A 106 -12.196 -5.040 7.500 1.00 0.38 C ATOM 1395 CG PHE A 106 -11.531 -6.032 6.582 1.00 0.40 C ATOM 1396 CD1 PHE A 106 -10.235 -6.455 6.824 1.00 0.46 C ATOM 1397 CD2 PHE A 106 -12.201 -6.537 5.477 1.00 0.44 C ATOM 1398 CE1 PHE A 106 -9.619 -7.363 5.982 1.00 0.52 C ATOM 1399 CE2 PHE A 106 -11.590 -7.445 4.633 1.00 0.50 C ATOM 1400 CZ PHE A 106 -10.297 -7.858 4.885 1.00 0.52 C ATOM 0 H PHE A 106 -10.137 -3.616 8.380 1.00 0.34 H new ATOM 0 HA PHE A 106 -12.034 -3.398 6.124 1.00 0.34 H new ATOM 0 HB2 PHE A 106 -11.902 -5.256 8.527 1.00 0.38 H new ATOM 0 HB3 PHE A 106 -13.276 -5.174 7.443 1.00 0.38 H new ATOM 0 HD1 PHE A 106 -9.699 -6.072 7.680 1.00 0.46 H new ATOM 0 HD2 PHE A 106 -13.212 -6.217 5.274 1.00 0.44 H new ATOM 0 HE1 PHE A 106 -8.608 -7.685 6.182 1.00 0.52 H new ATOM 0 HE2 PHE A 106 -12.124 -7.831 3.777 1.00 0.50 H new ATOM 0 HZ PHE A 106 -9.817 -8.566 4.226 1.00 0.52 H new ATOM 1410 N PHE A 107 -13.807 -2.156 7.349 1.00 0.35 N ATOM 1411 CA PHE A 107 -14.758 -1.254 7.989 1.00 0.37 C ATOM 1412 C PHE A 107 -16.179 -1.616 7.571 1.00 0.39 C ATOM 1413 O PHE A 107 -16.397 -2.099 6.462 1.00 0.48 O ATOM 1414 CB PHE A 107 -14.476 0.202 7.597 1.00 0.36 C ATOM 1415 CG PHE A 107 -13.159 0.733 8.091 1.00 0.35 C ATOM 1416 CD1 PHE A 107 -13.011 1.136 9.407 1.00 0.41 C ATOM 1417 CD2 PHE A 107 -12.074 0.838 7.235 1.00 0.38 C ATOM 1418 CE1 PHE A 107 -11.803 1.629 9.863 1.00 0.46 C ATOM 1419 CE2 PHE A 107 -10.864 1.330 7.685 1.00 0.43 C ATOM 1420 CZ PHE A 107 -10.729 1.729 9.000 1.00 0.46 C ATOM 0 H PHE A 107 -14.022 -2.364 6.374 1.00 0.35 H new ATOM 0 HA PHE A 107 -14.651 -1.358 9.069 1.00 0.37 H new ATOM 0 HB2 PHE A 107 -14.503 0.285 6.511 1.00 0.36 H new ATOM 0 HB3 PHE A 107 -15.277 0.832 7.985 1.00 0.36 H new ATOM 0 HD1 PHE A 107 -13.849 1.064 10.085 1.00 0.41 H new ATOM 0 HD2 PHE A 107 -12.176 0.532 6.204 1.00 0.38 H new ATOM 0 HE1 PHE A 107 -11.699 1.936 10.893 1.00 0.46 H new ATOM 0 HE2 PHE A 107 -10.025 1.402 7.009 1.00 0.43 H new ATOM 0 HZ PHE A 107 -9.786 2.118 9.353 1.00 0.46 H new ATOM 1430 N TRP A 108 -17.141 -1.392 8.451 1.00 0.41 N ATOM 1431 CA TRP A 108 -18.534 -1.681 8.133 1.00 0.43 C ATOM 1432 C TRP A 108 -19.384 -0.426 8.303 1.00 0.45 C ATOM 1433 O TRP A 108 -19.342 0.236 9.343 1.00 0.45 O ATOM 1434 CB TRP A 108 -19.076 -2.854 8.971 1.00 0.45 C ATOM 1435 CG TRP A 108 -18.937 -2.699 10.457 1.00 0.48 C ATOM 1436 CD1 TRP A 108 -17.795 -2.827 11.199 1.00 0.51 C ATOM 1437 CD2 TRP A 108 -19.988 -2.419 11.384 1.00 0.55 C ATOM 1438 NE1 TRP A 108 -18.074 -2.631 12.530 1.00 0.58 N ATOM 1439 CE2 TRP A 108 -19.413 -2.382 12.670 1.00 0.60 C ATOM 1440 CE3 TRP A 108 -21.362 -2.195 11.256 1.00 0.61 C ATOM 1441 CZ2 TRP A 108 -20.161 -2.124 13.810 1.00 0.70 C ATOM 1442 CZ3 TRP A 108 -22.105 -1.940 12.392 1.00 0.70 C ATOM 1443 CH2 TRP A 108 -21.502 -1.911 13.657 1.00 0.74 C ATOM 0 H TRP A 108 -16.987 -1.014 9.386 1.00 0.41 H new ATOM 0 HA TRP A 108 -18.589 -1.991 7.089 1.00 0.43 H new ATOM 0 HB2 TRP A 108 -20.131 -2.991 8.734 1.00 0.45 H new ATOM 0 HB3 TRP A 108 -18.560 -3.765 8.667 1.00 0.45 H new ATOM 0 HD1 TRP A 108 -16.817 -3.049 10.798 1.00 0.51 H new ATOM 0 HE1 TRP A 108 -17.394 -2.665 13.290 1.00 0.58 H new ATOM 0 HE3 TRP A 108 -21.834 -2.221 10.285 1.00 0.61 H new ATOM 0 HZ2 TRP A 108 -19.699 -2.093 14.786 1.00 0.70 H new ATOM 0 HZ3 TRP A 108 -23.166 -1.760 12.304 1.00 0.70 H new ATOM 0 HH2 TRP A 108 -22.110 -1.716 14.528 1.00 0.74 H new ATOM 1454 N MET A 109 -20.133 -0.096 7.259 1.00 0.46 N ATOM 1455 CA MET A 109 -20.981 1.095 7.247 1.00 0.48 C ATOM 1456 C MET A 109 -22.015 1.072 8.368 1.00 0.50 C ATOM 1457 O MET A 109 -22.734 0.088 8.551 1.00 0.51 O ATOM 1458 CB MET A 109 -21.691 1.227 5.900 1.00 0.50 C ATOM 1459 CG MET A 109 -20.749 1.444 4.727 1.00 0.50 C ATOM 1460 SD MET A 109 -19.987 3.081 4.736 1.00 0.58 S ATOM 1461 CE MET A 109 -18.943 2.970 3.288 1.00 0.60 C ATOM 0 H MET A 109 -20.172 -0.642 6.398 1.00 0.46 H new ATOM 0 HA MET A 109 -20.330 1.955 7.407 1.00 0.48 H new ATOM 0 HB2 MET A 109 -22.278 0.327 5.720 1.00 0.50 H new ATOM 0 HB3 MET A 109 -22.392 2.060 5.950 1.00 0.50 H new ATOM 0 HG2 MET A 109 -19.968 0.684 4.749 1.00 0.50 H new ATOM 0 HG3 MET A 109 -21.299 1.309 3.795 1.00 0.50 H new ATOM 0 HE1 MET A 109 -18.403 3.908 3.156 1.00 0.60 H new ATOM 0 HE2 MET A 109 -18.230 2.155 3.415 1.00 0.60 H new ATOM 0 HE3 MET A 109 -19.559 2.779 2.409 1.00 0.60 H new ATOM 1471 N GLN A 110 -22.087 2.168 9.111 1.00 0.51 N ATOM 1472 CA GLN A 110 -23.033 2.294 10.212 1.00 0.53 C ATOM 1473 C GLN A 110 -24.139 3.284 9.853 1.00 0.56 C ATOM 1474 O GLN A 110 -24.980 3.623 10.687 1.00 0.61 O ATOM 1475 CB GLN A 110 -22.318 2.742 11.490 1.00 0.53 C ATOM 1476 CG GLN A 110 -21.364 1.698 12.045 1.00 0.51 C ATOM 1477 CD GLN A 110 -20.683 2.140 13.325 1.00 0.52 C ATOM 1478 OE1 GLN A 110 -20.441 3.326 13.545 1.00 0.55 O ATOM 1479 NE2 GLN A 110 -20.377 1.183 14.186 1.00 0.53 N ATOM 0 H GLN A 110 -21.497 2.988 8.970 1.00 0.51 H new ATOM 0 HA GLN A 110 -23.481 1.317 10.391 1.00 0.53 H new ATOM 0 HB2 GLN A 110 -21.764 3.658 11.285 1.00 0.53 H new ATOM 0 HB3 GLN A 110 -23.063 2.983 12.249 1.00 0.53 H new ATOM 0 HG2 GLN A 110 -21.913 0.775 12.232 1.00 0.51 H new ATOM 0 HG3 GLN A 110 -20.605 1.472 11.296 1.00 0.51 H new ATOM 0 HE21 GLN A 110 -20.594 0.211 13.966 1.00 0.53 H new ATOM 0 HE22 GLN A 110 -19.924 1.417 15.069 1.00 0.53 H new ATOM 1488 N GLU A 111 -24.122 3.750 8.608 1.00 0.57 N ATOM 1489 CA GLU A 111 -25.128 4.687 8.125 1.00 0.60 C ATOM 1490 C GLU A 111 -26.504 4.017 8.106 1.00 0.63 C ATOM 1491 O GLU A 111 -26.601 2.801 7.955 1.00 0.64 O ATOM 1492 CB GLU A 111 -24.758 5.186 6.726 1.00 0.61 C ATOM 1493 CG GLU A 111 -23.536 6.096 6.711 1.00 0.62 C ATOM 1494 CD GLU A 111 -23.756 7.393 7.468 1.00 0.65 C ATOM 1495 OE1 GLU A 111 -24.819 8.024 7.286 1.00 0.73 O ATOM 1496 OE2 GLU A 111 -22.866 7.797 8.245 1.00 0.67 O ATOM 0 H GLU A 111 -23.420 3.492 7.914 1.00 0.57 H new ATOM 0 HA GLU A 111 -25.166 5.543 8.799 1.00 0.60 H new ATOM 0 HB2 GLU A 111 -24.571 4.328 6.080 1.00 0.61 H new ATOM 0 HB3 GLU A 111 -25.607 5.723 6.304 1.00 0.61 H new ATOM 0 HG2 GLU A 111 -22.689 5.566 7.147 1.00 0.62 H new ATOM 0 HG3 GLU A 111 -23.272 6.324 5.678 1.00 0.62 H new ATOM 1503 N PRO A 112 -27.584 4.799 8.255 1.00 0.67 N ATOM 1504 CA PRO A 112 -28.952 4.265 8.283 1.00 0.71 C ATOM 1505 C PRO A 112 -29.368 3.555 6.996 1.00 0.71 C ATOM 1506 O PRO A 112 -29.934 2.462 7.041 1.00 0.79 O ATOM 1507 CB PRO A 112 -29.819 5.508 8.507 1.00 0.77 C ATOM 1508 CG PRO A 112 -28.976 6.659 8.094 1.00 0.82 C ATOM 1509 CD PRO A 112 -27.565 6.264 8.413 1.00 0.71 C ATOM 0 HA PRO A 112 -29.052 3.500 9.053 1.00 0.71 H new ATOM 0 HB2 PRO A 112 -30.734 5.460 7.917 1.00 0.77 H new ATOM 0 HB3 PRO A 112 -30.118 5.595 9.552 1.00 0.77 H new ATOM 0 HG2 PRO A 112 -29.093 6.868 7.031 1.00 0.82 H new ATOM 0 HG3 PRO A 112 -29.260 7.564 8.630 1.00 0.82 H new ATOM 0 HD2 PRO A 112 -26.852 6.733 7.735 1.00 0.71 H new ATOM 0 HD3 PRO A 112 -27.283 6.557 9.424 1.00 0.71 H new ATOM 1517 N LYS A 113 -29.082 4.160 5.851 1.00 0.72 N ATOM 1518 CA LYS A 113 -29.470 3.577 4.577 1.00 0.75 C ATOM 1519 C LYS A 113 -28.262 3.251 3.715 1.00 0.69 C ATOM 1520 O LYS A 113 -27.218 3.896 3.822 1.00 0.70 O ATOM 1521 CB LYS A 113 -30.407 4.526 3.828 1.00 0.86 C ATOM 1522 CG LYS A 113 -31.842 4.469 4.325 1.00 0.99 C ATOM 1523 CD LYS A 113 -32.432 5.856 4.505 1.00 1.05 C ATOM 1524 CE LYS A 113 -33.901 5.782 4.897 1.00 1.11 C ATOM 1525 NZ LYS A 113 -34.404 7.073 5.435 1.00 1.51 N ATOM 0 H LYS A 113 -28.586 5.048 5.779 1.00 0.72 H new ATOM 0 HA LYS A 113 -29.990 2.642 4.786 1.00 0.75 H new ATOM 0 HB2 LYS A 113 -30.035 5.546 3.927 1.00 0.86 H new ATOM 0 HB3 LYS A 113 -30.388 4.282 2.766 1.00 0.86 H new ATOM 0 HG2 LYS A 113 -32.449 3.905 3.617 1.00 0.99 H new ATOM 0 HG3 LYS A 113 -31.877 3.933 5.274 1.00 0.99 H new ATOM 0 HD2 LYS A 113 -31.875 6.394 5.272 1.00 1.05 H new ATOM 0 HD3 LYS A 113 -32.328 6.421 3.579 1.00 1.05 H new ATOM 0 HE2 LYS A 113 -34.493 5.497 4.028 1.00 1.11 H new ATOM 0 HE3 LYS A 113 -34.037 5.001 5.645 1.00 1.11 H new ATOM 0 HZ1 LYS A 113 -35.408 6.976 5.689 1.00 1.51 H new ATOM 0 HZ2 LYS A 113 -33.857 7.334 6.280 1.00 1.51 H new ATOM 0 HZ3 LYS A 113 -34.300 7.814 4.713 1.00 1.51 H new ATOM 1539 N THR A 114 -28.423 2.253 2.858 1.00 0.69 N ATOM 1540 CA THR A 114 -27.366 1.822 1.954 1.00 0.66 C ATOM 1541 C THR A 114 -27.387 2.656 0.676 1.00 0.67 C ATOM 1542 O THR A 114 -26.644 2.393 -0.273 1.00 0.69 O ATOM 1543 CB THR A 114 -27.539 0.336 1.584 1.00 0.70 C ATOM 1544 OG1 THR A 114 -28.871 0.105 1.105 1.00 0.90 O ATOM 1545 CG2 THR A 114 -27.273 -0.563 2.780 1.00 0.86 C ATOM 0 H THR A 114 -29.288 1.720 2.770 1.00 0.69 H new ATOM 0 HA THR A 114 -26.413 1.958 2.465 1.00 0.66 H new ATOM 0 HB THR A 114 -26.817 0.098 0.803 1.00 0.70 H new ATOM 0 HG1 THR A 114 -28.975 -0.841 0.870 1.00 0.90 H new ATOM 0 HG21 THR A 114 -27.403 -1.605 2.488 1.00 0.86 H new ATOM 0 HG22 THR A 114 -26.253 -0.409 3.131 1.00 0.86 H new ATOM 0 HG23 THR A 114 -27.972 -0.321 3.580 1.00 0.86 H new ATOM 1553 N ASP A 115 -28.246 3.669 0.669 1.00 0.69 N ATOM 1554 CA ASP A 115 -28.404 4.551 -0.483 1.00 0.72 C ATOM 1555 C ASP A 115 -27.127 5.313 -0.800 1.00 0.68 C ATOM 1556 O ASP A 115 -26.888 5.675 -1.950 1.00 0.72 O ATOM 1557 CB ASP A 115 -29.541 5.546 -0.240 1.00 0.79 C ATOM 1558 CG ASP A 115 -30.819 5.136 -0.936 1.00 0.94 C ATOM 1559 OD1 ASP A 115 -30.854 5.156 -2.186 1.00 1.19 O ATOM 1560 OD2 ASP A 115 -31.792 4.779 -0.238 1.00 1.14 O ATOM 0 H ASP A 115 -28.850 3.902 1.457 1.00 0.69 H new ATOM 0 HA ASP A 115 -28.641 3.918 -1.338 1.00 0.72 H new ATOM 0 HB2 ASP A 115 -29.724 5.631 0.831 1.00 0.79 H new ATOM 0 HB3 ASP A 115 -29.239 6.533 -0.591 1.00 0.79 H new ATOM 1565 N GLN A 116 -26.304 5.545 0.213 1.00 0.66 N ATOM 1566 CA GLN A 116 -25.061 6.287 0.028 1.00 0.64 C ATOM 1567 C GLN A 116 -23.840 5.447 0.389 1.00 0.60 C ATOM 1568 O GLN A 116 -22.755 5.983 0.620 1.00 0.59 O ATOM 1569 CB GLN A 116 -25.085 7.560 0.872 1.00 0.70 C ATOM 1570 CG GLN A 116 -26.151 8.556 0.445 1.00 0.77 C ATOM 1571 CD GLN A 116 -25.841 9.200 -0.892 1.00 0.83 C ATOM 1572 OE1 GLN A 116 -26.190 8.673 -1.948 1.00 0.90 O ATOM 1573 NE2 GLN A 116 -25.188 10.348 -0.855 1.00 0.92 N ATOM 0 H GLN A 116 -26.472 5.232 1.169 1.00 0.66 H new ATOM 0 HA GLN A 116 -24.984 6.547 -1.028 1.00 0.64 H new ATOM 0 HB2 GLN A 116 -25.249 7.291 1.915 1.00 0.70 H new ATOM 0 HB3 GLN A 116 -24.108 8.041 0.817 1.00 0.70 H new ATOM 0 HG2 GLN A 116 -27.114 8.049 0.386 1.00 0.77 H new ATOM 0 HG3 GLN A 116 -26.245 9.331 1.205 1.00 0.77 H new ATOM 0 HE21 GLN A 116 -24.917 10.752 0.042 1.00 0.92 H new ATOM 0 HE22 GLN A 116 -24.955 10.831 -1.723 1.00 0.92 H new ATOM 1582 N ASP A 117 -24.010 4.132 0.421 1.00 0.59 N ATOM 1583 CA ASP A 117 -22.908 3.229 0.755 1.00 0.58 C ATOM 1584 C ASP A 117 -21.815 3.310 -0.304 1.00 0.55 C ATOM 1585 O ASP A 117 -20.656 3.612 0.002 1.00 0.53 O ATOM 1586 CB ASP A 117 -23.405 1.786 0.896 1.00 0.60 C ATOM 1587 CG ASP A 117 -23.708 1.410 2.336 1.00 0.62 C ATOM 1588 OD1 ASP A 117 -23.626 2.291 3.221 1.00 0.67 O ATOM 1589 OD2 ASP A 117 -24.045 0.231 2.592 1.00 0.64 O ATOM 0 H ASP A 117 -24.895 3.665 0.221 1.00 0.59 H new ATOM 0 HA ASP A 117 -22.493 3.542 1.713 1.00 0.58 H new ATOM 0 HB2 ASP A 117 -24.304 1.655 0.293 1.00 0.60 H new ATOM 0 HB3 ASP A 117 -22.652 1.106 0.498 1.00 0.60 H new ATOM 1594 N GLU A 118 -22.197 3.074 -1.553 1.00 0.56 N ATOM 1595 CA GLU A 118 -21.259 3.123 -2.663 1.00 0.56 C ATOM 1596 C GLU A 118 -20.803 4.556 -2.915 1.00 0.55 C ATOM 1597 O GLU A 118 -19.658 4.797 -3.297 1.00 0.55 O ATOM 1598 CB GLU A 118 -21.900 2.539 -3.920 1.00 0.59 C ATOM 1599 CG GLU A 118 -21.893 1.020 -3.947 1.00 0.62 C ATOM 1600 CD GLU A 118 -20.491 0.455 -3.980 1.00 0.64 C ATOM 1601 OE1 GLU A 118 -19.731 0.797 -4.912 1.00 0.85 O ATOM 1602 OE2 GLU A 118 -20.141 -0.346 -3.086 1.00 0.70 O ATOM 0 H GLU A 118 -23.154 2.846 -1.821 1.00 0.56 H new ATOM 0 HA GLU A 118 -20.385 2.525 -2.406 1.00 0.56 H new ATOM 0 HB2 GLU A 118 -22.929 2.892 -3.993 1.00 0.59 H new ATOM 0 HB3 GLU A 118 -21.372 2.914 -4.797 1.00 0.59 H new ATOM 0 HG2 GLU A 118 -22.415 0.640 -3.069 1.00 0.62 H new ATOM 0 HG3 GLU A 118 -22.444 0.671 -4.821 1.00 0.62 H new ATOM 1609 N GLU A 119 -21.707 5.501 -2.682 1.00 0.57 N ATOM 1610 CA GLU A 119 -21.414 6.917 -2.867 1.00 0.59 C ATOM 1611 C GLU A 119 -20.244 7.327 -1.983 1.00 0.56 C ATOM 1612 O GLU A 119 -19.321 8.015 -2.430 1.00 0.57 O ATOM 1613 CB GLU A 119 -22.649 7.762 -2.541 1.00 0.64 C ATOM 1614 CG GLU A 119 -22.422 9.262 -2.662 1.00 0.71 C ATOM 1615 CD GLU A 119 -22.137 9.708 -4.082 1.00 0.84 C ATOM 1616 OE1 GLU A 119 -22.608 9.049 -5.030 1.00 1.12 O ATOM 1617 OE2 GLU A 119 -21.437 10.727 -4.256 1.00 1.25 O ATOM 0 H GLU A 119 -22.656 5.309 -2.362 1.00 0.57 H new ATOM 0 HA GLU A 119 -21.143 7.087 -3.909 1.00 0.59 H new ATOM 0 HB2 GLU A 119 -23.461 7.473 -3.208 1.00 0.64 H new ATOM 0 HB3 GLU A 119 -22.974 7.535 -1.526 1.00 0.64 H new ATOM 0 HG2 GLU A 119 -23.302 9.788 -2.292 1.00 0.71 H new ATOM 0 HG3 GLU A 119 -21.587 9.550 -2.023 1.00 0.71 H new ATOM 1624 N HIS A 120 -20.284 6.888 -0.728 1.00 0.55 N ATOM 1625 CA HIS A 120 -19.222 7.188 0.223 1.00 0.54 C ATOM 1626 C HIS A 120 -17.915 6.553 -0.233 1.00 0.51 C ATOM 1627 O HIS A 120 -16.856 7.173 -0.162 1.00 0.52 O ATOM 1628 CB HIS A 120 -19.582 6.684 1.624 1.00 0.55 C ATOM 1629 CG HIS A 120 -20.443 7.628 2.407 1.00 0.59 C ATOM 1630 ND1 HIS A 120 -21.634 7.256 2.997 1.00 0.64 N ATOM 1631 CD2 HIS A 120 -20.272 8.938 2.708 1.00 0.71 C ATOM 1632 CE1 HIS A 120 -22.154 8.292 3.626 1.00 0.68 C ATOM 1633 NE2 HIS A 120 -21.349 9.324 3.465 1.00 0.74 N ATOM 0 H HIS A 120 -21.043 6.322 -0.347 1.00 0.55 H new ATOM 0 HA HIS A 120 -19.102 8.270 0.266 1.00 0.54 H new ATOM 0 HB2 HIS A 120 -20.097 5.728 1.534 1.00 0.55 H new ATOM 0 HB3 HIS A 120 -18.663 6.500 2.180 1.00 0.55 H new ATOM 0 HD2 HIS A 120 -19.443 9.562 2.408 1.00 0.71 H new ATOM 0 HE1 HIS A 120 -23.082 8.295 4.179 1.00 0.68 H new ATOM 0 HE2 HIS A 120 -21.502 10.259 3.843 1.00 0.74 H new ATOM 1642 N CYS A 121 -18.010 5.316 -0.709 1.00 0.49 N ATOM 1643 CA CYS A 121 -16.848 4.577 -1.193 1.00 0.48 C ATOM 1644 C CYS A 121 -16.200 5.308 -2.363 1.00 0.48 C ATOM 1645 O CYS A 121 -14.980 5.474 -2.408 1.00 0.47 O ATOM 1646 CB CYS A 121 -17.273 3.166 -1.618 1.00 0.49 C ATOM 1647 SG CYS A 121 -15.957 2.170 -2.364 1.00 0.48 S ATOM 0 H CYS A 121 -18.888 4.800 -0.770 1.00 0.49 H new ATOM 0 HA CYS A 121 -16.117 4.503 -0.388 1.00 0.48 H new ATOM 0 HB2 CYS A 121 -17.658 2.639 -0.745 1.00 0.49 H new ATOM 0 HB3 CYS A 121 -18.095 3.248 -2.329 1.00 0.49 H new ATOM 0 HG CYS A 121 -15.091 1.842 -1.452 1.00 0.48 H new ATOM 1653 N ARG A 122 -17.031 5.753 -3.298 1.00 0.51 N ATOM 1654 CA ARG A 122 -16.557 6.472 -4.473 1.00 0.54 C ATOM 1655 C ARG A 122 -15.805 7.737 -4.069 1.00 0.53 C ATOM 1656 O ARG A 122 -14.722 8.012 -4.587 1.00 0.54 O ATOM 1657 CB ARG A 122 -17.741 6.816 -5.379 1.00 0.59 C ATOM 1658 CG ARG A 122 -17.390 7.717 -6.554 1.00 0.85 C ATOM 1659 CD ARG A 122 -18.504 7.736 -7.593 1.00 0.89 C ATOM 1660 NE ARG A 122 -19.834 7.768 -6.980 1.00 1.09 N ATOM 1661 CZ ARG A 122 -20.769 6.836 -7.178 1.00 0.97 C ATOM 1662 NH1 ARG A 122 -20.529 5.796 -7.967 1.00 1.44 N ATOM 1663 NH2 ARG A 122 -21.941 6.931 -6.569 1.00 1.52 N ATOM 0 H ARG A 122 -18.043 5.627 -3.264 1.00 0.51 H new ATOM 0 HA ARG A 122 -15.865 5.832 -5.020 1.00 0.54 H new ATOM 0 HB2 ARG A 122 -18.171 5.891 -5.762 1.00 0.59 H new ATOM 0 HB3 ARG A 122 -18.512 7.302 -4.781 1.00 0.59 H new ATOM 0 HG2 ARG A 122 -17.208 8.730 -6.196 1.00 0.85 H new ATOM 0 HG3 ARG A 122 -16.465 7.371 -7.016 1.00 0.85 H new ATOM 0 HD2 ARG A 122 -18.382 8.607 -8.237 1.00 0.89 H new ATOM 0 HD3 ARG A 122 -18.420 6.855 -8.229 1.00 0.89 H new ATOM 0 HE ARG A 122 -20.059 8.550 -6.365 1.00 1.09 H new ATOM 0 HH11 ARG A 122 -19.624 5.704 -8.428 1.00 1.44 H new ATOM 0 HH12 ARG A 122 -21.250 5.089 -8.112 1.00 1.44 H new ATOM 0 HH21 ARG A 122 -22.131 7.717 -5.947 1.00 1.52 H new ATOM 0 HH22 ARG A 122 -22.654 6.218 -6.721 1.00 1.52 H new ATOM 1677 N LYS A 123 -16.377 8.486 -3.130 1.00 0.53 N ATOM 1678 CA LYS A 123 -15.764 9.721 -2.651 1.00 0.53 C ATOM 1679 C LYS A 123 -14.397 9.445 -2.039 1.00 0.51 C ATOM 1680 O LYS A 123 -13.421 10.135 -2.337 1.00 0.53 O ATOM 1681 CB LYS A 123 -16.653 10.398 -1.606 1.00 0.56 C ATOM 1682 CG LYS A 123 -17.914 11.021 -2.174 1.00 0.63 C ATOM 1683 CD LYS A 123 -18.623 11.871 -1.132 1.00 0.73 C ATOM 1684 CE LYS A 123 -19.851 12.547 -1.710 1.00 0.85 C ATOM 1685 NZ LYS A 123 -20.300 13.687 -0.869 1.00 1.12 N ATOM 0 H LYS A 123 -17.266 8.258 -2.685 1.00 0.53 H new ATOM 0 HA LYS A 123 -15.647 10.384 -3.508 1.00 0.53 H new ATOM 0 HB2 LYS A 123 -16.932 9.663 -0.851 1.00 0.56 H new ATOM 0 HB3 LYS A 123 -16.075 11.171 -1.099 1.00 0.56 H new ATOM 0 HG2 LYS A 123 -17.662 11.635 -3.038 1.00 0.63 H new ATOM 0 HG3 LYS A 123 -18.584 10.237 -2.525 1.00 0.63 H new ATOM 0 HD2 LYS A 123 -18.914 11.246 -0.287 1.00 0.73 H new ATOM 0 HD3 LYS A 123 -17.937 12.626 -0.749 1.00 0.73 H new ATOM 0 HE2 LYS A 123 -19.630 12.902 -2.717 1.00 0.85 H new ATOM 0 HE3 LYS A 123 -20.658 11.820 -1.798 1.00 0.85 H new ATOM 0 HZ1 LYS A 123 -21.142 14.124 -1.297 1.00 1.12 H new ATOM 0 HZ2 LYS A 123 -20.535 13.344 0.084 1.00 1.12 H new ATOM 0 HZ3 LYS A 123 -19.539 14.393 -0.805 1.00 1.12 H new ATOM 1699 N VAL A 124 -14.343 8.430 -1.182 1.00 0.48 N ATOM 1700 CA VAL A 124 -13.109 8.046 -0.517 1.00 0.46 C ATOM 1701 C VAL A 124 -12.005 7.756 -1.533 1.00 0.45 C ATOM 1702 O VAL A 124 -10.924 8.335 -1.464 1.00 0.45 O ATOM 1703 CB VAL A 124 -13.322 6.809 0.388 1.00 0.45 C ATOM 1704 CG1 VAL A 124 -11.999 6.221 0.848 1.00 0.43 C ATOM 1705 CG2 VAL A 124 -14.176 7.168 1.589 1.00 0.50 C ATOM 0 H VAL A 124 -15.149 7.856 -0.932 1.00 0.48 H new ATOM 0 HA VAL A 124 -12.803 8.886 0.106 1.00 0.46 H new ATOM 0 HB VAL A 124 -13.840 6.055 -0.204 1.00 0.45 H new ATOM 0 HG11 VAL A 124 -12.187 5.354 1.481 1.00 0.43 H new ATOM 0 HG12 VAL A 124 -11.415 5.916 -0.020 1.00 0.43 H new ATOM 0 HG13 VAL A 124 -11.445 6.970 1.413 1.00 0.43 H new ATOM 0 HG21 VAL A 124 -14.315 6.286 2.214 1.00 0.50 H new ATOM 0 HG22 VAL A 124 -13.681 7.948 2.168 1.00 0.50 H new ATOM 0 HG23 VAL A 124 -15.147 7.529 1.250 1.00 0.50 H new ATOM 1715 N ASN A 125 -12.301 6.893 -2.494 1.00 0.46 N ATOM 1716 CA ASN A 125 -11.330 6.517 -3.517 1.00 0.48 C ATOM 1717 C ASN A 125 -10.841 7.733 -4.299 1.00 0.49 C ATOM 1718 O ASN A 125 -9.655 7.838 -4.622 1.00 0.52 O ATOM 1719 CB ASN A 125 -11.936 5.494 -4.478 1.00 0.50 C ATOM 1720 CG ASN A 125 -11.926 4.084 -3.918 1.00 0.51 C ATOM 1721 OD1 ASN A 125 -10.939 3.357 -4.048 1.00 0.69 O ATOM 1722 ND2 ASN A 125 -13.021 3.683 -3.293 1.00 0.77 N ATOM 0 H ASN A 125 -13.209 6.437 -2.589 1.00 0.46 H new ATOM 0 HA ASN A 125 -10.474 6.072 -3.009 1.00 0.48 H new ATOM 0 HB2 ASN A 125 -12.962 5.782 -4.708 1.00 0.50 H new ATOM 0 HB3 ASN A 125 -11.382 5.511 -5.417 1.00 0.50 H new ATOM 0 HD21 ASN A 125 -13.068 2.743 -2.899 1.00 0.77 H new ATOM 0 HD22 ASN A 125 -13.818 4.313 -3.205 1.00 0.77 H new ATOM 1729 N GLU A 126 -11.751 8.658 -4.583 1.00 0.52 N ATOM 1730 CA GLU A 126 -11.406 9.857 -5.332 1.00 0.56 C ATOM 1731 C GLU A 126 -10.473 10.768 -4.544 1.00 0.55 C ATOM 1732 O GLU A 126 -9.389 11.101 -5.009 1.00 0.64 O ATOM 1733 CB GLU A 126 -12.660 10.641 -5.716 1.00 0.64 C ATOM 1734 CG GLU A 126 -13.501 9.965 -6.782 1.00 0.76 C ATOM 1735 CD GLU A 126 -14.493 10.908 -7.428 1.00 0.91 C ATOM 1736 OE1 GLU A 126 -15.143 11.689 -6.701 1.00 1.30 O ATOM 1737 OE2 GLU A 126 -14.630 10.869 -8.667 1.00 1.27 O ATOM 0 H GLU A 126 -12.731 8.599 -4.306 1.00 0.52 H new ATOM 0 HA GLU A 126 -10.891 9.525 -6.234 1.00 0.56 H new ATOM 0 HB2 GLU A 126 -13.270 10.791 -4.826 1.00 0.64 H new ATOM 0 HB3 GLU A 126 -12.365 11.629 -6.071 1.00 0.64 H new ATOM 0 HG2 GLU A 126 -12.845 9.553 -7.549 1.00 0.76 H new ATOM 0 HG3 GLU A 126 -14.038 9.127 -6.338 1.00 0.76 H new ATOM 1744 N TYR A 127 -10.893 11.147 -3.344 1.00 0.53 N ATOM 1745 CA TYR A 127 -10.115 12.055 -2.502 1.00 0.55 C ATOM 1746 C TYR A 127 -8.785 11.454 -2.042 1.00 0.52 C ATOM 1747 O TYR A 127 -7.869 12.188 -1.671 1.00 0.60 O ATOM 1748 CB TYR A 127 -10.941 12.487 -1.287 1.00 0.59 C ATOM 1749 CG TYR A 127 -11.926 13.594 -1.587 1.00 0.62 C ATOM 1750 CD1 TYR A 127 -11.530 14.924 -1.543 1.00 0.73 C ATOM 1751 CD2 TYR A 127 -13.247 13.313 -1.913 1.00 0.69 C ATOM 1752 CE1 TYR A 127 -12.420 15.941 -1.814 1.00 0.79 C ATOM 1753 CE2 TYR A 127 -14.144 14.327 -2.186 1.00 0.74 C ATOM 1754 CZ TYR A 127 -13.726 15.639 -2.135 1.00 0.74 C ATOM 1755 OH TYR A 127 -14.617 16.654 -2.406 1.00 0.84 O ATOM 0 H TYR A 127 -11.772 10.840 -2.928 1.00 0.53 H new ATOM 0 HA TYR A 127 -9.875 12.923 -3.117 1.00 0.55 H new ATOM 0 HB2 TYR A 127 -11.484 11.624 -0.902 1.00 0.59 H new ATOM 0 HB3 TYR A 127 -10.266 12.817 -0.498 1.00 0.59 H new ATOM 0 HD1 TYR A 127 -10.508 15.166 -1.292 1.00 0.73 H new ATOM 0 HD2 TYR A 127 -13.578 12.286 -1.954 1.00 0.69 H new ATOM 0 HE1 TYR A 127 -12.095 16.970 -1.775 1.00 0.79 H new ATOM 0 HE2 TYR A 127 -15.168 14.093 -2.438 1.00 0.74 H new ATOM 0 HH TYR A 127 -15.495 16.272 -2.615 1.00 0.84 H new ATOM 1765 N LEU A 128 -8.675 10.133 -2.059 1.00 0.49 N ATOM 1766 CA LEU A 128 -7.441 9.473 -1.637 1.00 0.49 C ATOM 1767 C LEU A 128 -6.411 9.431 -2.765 1.00 0.53 C ATOM 1768 O LEU A 128 -5.257 9.818 -2.572 1.00 0.69 O ATOM 1769 CB LEU A 128 -7.721 8.047 -1.140 1.00 0.46 C ATOM 1770 CG LEU A 128 -8.509 7.943 0.172 1.00 0.42 C ATOM 1771 CD1 LEU A 128 -8.375 6.549 0.759 1.00 0.49 C ATOM 1772 CD2 LEU A 128 -8.052 8.990 1.177 1.00 0.44 C ATOM 0 H LEU A 128 -9.416 9.499 -2.357 1.00 0.49 H new ATOM 0 HA LEU A 128 -7.030 10.061 -0.817 1.00 0.49 H new ATOM 0 HB2 LEU A 128 -8.270 7.513 -1.916 1.00 0.46 H new ATOM 0 HB3 LEU A 128 -6.768 7.533 -1.012 1.00 0.46 H new ATOM 0 HG LEU A 128 -9.559 8.132 -0.051 1.00 0.42 H new ATOM 0 HD11 LEU A 128 -8.939 6.490 1.690 1.00 0.49 H new ATOM 0 HD12 LEU A 128 -8.765 5.817 0.051 1.00 0.49 H new ATOM 0 HD13 LEU A 128 -7.324 6.337 0.958 1.00 0.49 H new ATOM 0 HD21 LEU A 128 -8.630 8.889 2.096 1.00 0.44 H new ATOM 0 HD22 LEU A 128 -6.994 8.846 1.396 1.00 0.44 H new ATOM 0 HD23 LEU A 128 -8.204 9.985 0.760 1.00 0.44 H new ATOM 1784 N ASN A 129 -6.832 8.982 -3.943 1.00 0.54 N ATOM 1785 CA ASN A 129 -5.923 8.869 -5.085 1.00 0.59 C ATOM 1786 C ASN A 129 -5.760 10.192 -5.827 1.00 0.65 C ATOM 1787 O ASN A 129 -4.800 10.372 -6.577 1.00 0.78 O ATOM 1788 CB ASN A 129 -6.406 7.784 -6.048 1.00 0.64 C ATOM 1789 CG ASN A 129 -5.882 6.407 -5.676 1.00 0.68 C ATOM 1790 OD1 ASN A 129 -4.756 6.261 -5.199 1.00 0.81 O ATOM 1791 ND2 ASN A 129 -6.697 5.384 -5.887 1.00 0.89 N ATOM 0 H ASN A 129 -7.791 8.691 -4.134 1.00 0.54 H new ATOM 0 HA ASN A 129 -4.946 8.593 -4.689 1.00 0.59 H new ATOM 0 HB2 ASN A 129 -7.496 7.766 -6.054 1.00 0.64 H new ATOM 0 HB3 ASN A 129 -6.086 8.031 -7.060 1.00 0.64 H new ATOM 0 HD21 ASN A 129 -6.398 4.437 -5.652 1.00 0.89 H new ATOM 0 HD22 ASN A 129 -7.623 5.543 -6.284 1.00 0.89 H new ATOM 1798 N ASN A 130 -6.698 11.107 -5.633 1.00 0.67 N ATOM 1799 CA ASN A 130 -6.639 12.409 -6.286 1.00 0.74 C ATOM 1800 C ASN A 130 -6.557 13.516 -5.247 1.00 0.80 C ATOM 1801 O ASN A 130 -7.602 14.129 -4.939 1.00 0.99 O ATOM 1802 CB ASN A 130 -7.856 12.630 -7.193 1.00 0.82 C ATOM 1803 CG ASN A 130 -7.672 12.018 -8.567 1.00 0.91 C ATOM 1804 OD1 ASN A 130 -7.086 12.637 -9.457 1.00 1.10 O ATOM 1805 ND2 ASN A 130 -8.173 10.806 -8.759 1.00 1.09 N ATOM 0 H ASN A 130 -7.509 10.973 -5.029 1.00 0.67 H new ATOM 0 HA ASN A 130 -5.743 12.433 -6.906 1.00 0.74 H new ATOM 0 HB2 ASN A 130 -8.740 12.199 -6.722 1.00 0.82 H new ATOM 0 HB3 ASN A 130 -8.039 13.700 -7.296 1.00 0.82 H new ATOM 0 HD21 ASN A 130 -8.080 10.354 -9.669 1.00 1.09 H new ATOM 0 HD22 ASN A 130 -8.652 10.325 -7.997 1.00 1.09 H new TER 1812 ASN A 130 ATOM 1813 N ALA B 26 37.276 -7.842 7.543 1.00 1.24 N ATOM 1814 CA ALA B 26 36.369 -6.950 8.297 1.00 1.15 C ATOM 1815 C ALA B 26 34.947 -7.070 7.767 1.00 1.06 C ATOM 1816 O ALA B 26 34.654 -6.645 6.648 1.00 1.08 O ATOM 1817 CB ALA B 26 36.848 -5.507 8.213 1.00 1.27 C ATOM 0 HA ALA B 26 36.376 -7.254 9.344 1.00 1.15 H new ATOM 0 HB1 ALA B 26 36.169 -4.865 8.774 1.00 1.27 H new ATOM 0 HB2 ALA B 26 37.850 -5.431 8.635 1.00 1.27 H new ATOM 0 HB3 ALA B 26 36.869 -5.191 7.170 1.00 1.27 H new ATOM 1825 N PRO B 27 34.048 -7.670 8.556 1.00 1.03 N ATOM 1826 CA PRO B 27 32.654 -7.848 8.161 1.00 0.98 C ATOM 1827 C PRO B 27 31.857 -6.551 8.274 1.00 0.96 C ATOM 1828 O PRO B 27 31.997 -5.805 9.245 1.00 1.05 O ATOM 1829 CB PRO B 27 32.138 -8.890 9.150 1.00 1.03 C ATOM 1830 CG PRO B 27 32.981 -8.726 10.365 1.00 1.15 C ATOM 1831 CD PRO B 27 34.321 -8.220 9.899 1.00 1.12 C ATOM 0 HA PRO B 27 32.554 -8.151 7.119 1.00 0.98 H new ATOM 0 HB2 PRO B 27 31.084 -8.729 9.377 1.00 1.03 H new ATOM 0 HB3 PRO B 27 32.226 -9.897 8.743 1.00 1.03 H new ATOM 0 HG2 PRO B 27 32.523 -8.023 11.061 1.00 1.15 H new ATOM 0 HG3 PRO B 27 33.088 -9.674 10.893 1.00 1.15 H new ATOM 0 HD2 PRO B 27 34.715 -7.457 10.570 1.00 1.12 H new ATOM 0 HD3 PRO B 27 35.059 -9.022 9.860 1.00 1.12 H new ATOM 1839 N ALA B 28 31.033 -6.283 7.274 1.00 0.95 N ATOM 1840 CA ALA B 28 30.213 -5.080 7.254 1.00 0.96 C ATOM 1841 C ALA B 28 28.747 -5.442 7.064 1.00 0.90 C ATOM 1842 O ALA B 28 27.933 -4.591 6.698 1.00 0.88 O ATOM 1843 CB ALA B 28 30.679 -4.143 6.149 1.00 1.04 C ATOM 0 H ALA B 28 30.913 -6.886 6.460 1.00 0.95 H new ATOM 0 HA ALA B 28 30.320 -4.568 8.210 1.00 0.96 H new ATOM 0 HB1 ALA B 28 30.057 -3.248 6.145 1.00 1.04 H new ATOM 0 HB2 ALA B 28 31.718 -3.863 6.323 1.00 1.04 H new ATOM 0 HB3 ALA B 28 30.596 -4.647 5.186 1.00 1.04 H new ATOM 1849 N GLU B 29 28.430 -6.711 7.328 1.00 0.93 N ATOM 1850 CA GLU B 29 27.072 -7.241 7.189 1.00 0.90 C ATOM 1851 C GLU B 29 26.623 -7.232 5.735 1.00 0.85 C ATOM 1852 O GLU B 29 26.141 -6.222 5.222 1.00 0.82 O ATOM 1853 CB GLU B 29 26.071 -6.483 8.068 1.00 0.91 C ATOM 1854 CG GLU B 29 25.976 -7.038 9.478 1.00 1.14 C ATOM 1855 CD GLU B 29 24.797 -6.481 10.249 1.00 1.10 C ATOM 1856 OE1 GLU B 29 23.654 -6.932 10.012 1.00 1.29 O ATOM 1857 OE2 GLU B 29 25.008 -5.603 11.115 1.00 1.30 O ATOM 0 H GLU B 29 29.110 -7.402 7.645 1.00 0.93 H new ATOM 0 HA GLU B 29 27.097 -8.275 7.533 1.00 0.90 H new ATOM 0 HB2 GLU B 29 26.361 -5.433 8.116 1.00 0.91 H new ATOM 0 HB3 GLU B 29 25.086 -6.521 7.602 1.00 0.91 H new ATOM 0 HG2 GLU B 29 25.894 -8.124 9.432 1.00 1.14 H new ATOM 0 HG3 GLU B 29 26.896 -6.811 10.016 1.00 1.14 H new ATOM 1864 N PRO B 30 26.775 -8.372 5.047 1.00 0.88 N ATOM 1865 CA PRO B 30 26.382 -8.512 3.650 1.00 0.88 C ATOM 1866 C PRO B 30 24.900 -8.835 3.507 1.00 0.82 C ATOM 1867 O PRO B 30 24.469 -9.423 2.513 1.00 0.85 O ATOM 1868 CB PRO B 30 27.241 -9.679 3.176 1.00 1.00 C ATOM 1869 CG PRO B 30 27.456 -10.528 4.385 1.00 1.07 C ATOM 1870 CD PRO B 30 27.350 -9.621 5.587 1.00 0.98 C ATOM 0 HA PRO B 30 26.527 -7.597 3.076 1.00 0.88 H new ATOM 0 HB2 PRO B 30 26.741 -10.239 2.386 1.00 1.00 H new ATOM 0 HB3 PRO B 30 28.189 -9.329 2.768 1.00 1.00 H new ATOM 0 HG2 PRO B 30 26.712 -11.323 4.435 1.00 1.07 H new ATOM 0 HG3 PRO B 30 28.434 -11.008 4.350 1.00 1.07 H new ATOM 0 HD2 PRO B 30 26.711 -10.053 6.357 1.00 0.98 H new ATOM 0 HD3 PRO B 30 28.325 -9.447 6.042 1.00 0.98 H new ATOM 1878 N LYS B 31 24.122 -8.454 4.513 1.00 0.78 N ATOM 1879 CA LYS B 31 22.690 -8.690 4.505 1.00 0.74 C ATOM 1880 C LYS B 31 21.994 -7.618 3.682 1.00 0.69 C ATOM 1881 O LYS B 31 21.520 -6.615 4.214 1.00 0.73 O ATOM 1882 CB LYS B 31 22.135 -8.709 5.932 1.00 0.76 C ATOM 1883 CG LYS B 31 22.559 -9.928 6.740 1.00 0.92 C ATOM 1884 CD LYS B 31 21.366 -10.798 7.113 1.00 1.11 C ATOM 1885 CE LYS B 31 20.788 -11.506 5.900 1.00 1.32 C ATOM 1886 NZ LYS B 31 19.576 -12.300 6.238 1.00 1.45 N ATOM 0 H LYS B 31 24.465 -7.978 5.347 1.00 0.78 H new ATOM 0 HA LYS B 31 22.501 -9.664 4.054 1.00 0.74 H new ATOM 0 HB2 LYS B 31 22.463 -7.808 6.451 1.00 0.76 H new ATOM 0 HB3 LYS B 31 21.046 -8.674 5.889 1.00 0.76 H new ATOM 0 HG2 LYS B 31 23.273 -10.517 6.164 1.00 0.92 H new ATOM 0 HG3 LYS B 31 23.071 -9.604 7.646 1.00 0.92 H new ATOM 0 HD2 LYS B 31 21.671 -11.536 7.854 1.00 1.11 H new ATOM 0 HD3 LYS B 31 20.596 -10.181 7.576 1.00 1.11 H new ATOM 0 HE2 LYS B 31 20.537 -10.769 5.137 1.00 1.32 H new ATOM 0 HE3 LYS B 31 21.544 -12.164 5.471 1.00 1.32 H new ATOM 0 HZ1 LYS B 31 19.216 -12.766 5.381 1.00 1.45 H new ATOM 0 HZ2 LYS B 31 19.820 -13.021 6.947 1.00 1.45 H new ATOM 0 HZ3 LYS B 31 18.844 -11.669 6.623 1.00 1.45 H new ATOM 1900 N ILE B 32 21.967 -7.826 2.378 1.00 0.68 N ATOM 1901 CA ILE B 32 21.342 -6.888 1.465 1.00 0.66 C ATOM 1902 C ILE B 32 19.840 -7.146 1.374 1.00 0.62 C ATOM 1903 O ILE B 32 19.408 -8.252 1.034 1.00 0.67 O ATOM 1904 CB ILE B 32 21.985 -6.977 0.063 1.00 0.71 C ATOM 1905 CG1 ILE B 32 23.408 -6.414 0.104 1.00 0.88 C ATOM 1906 CG2 ILE B 32 21.150 -6.239 -0.971 1.00 0.80 C ATOM 1907 CD1 ILE B 32 24.453 -7.367 -0.426 1.00 1.20 C ATOM 0 H ILE B 32 22.375 -8.644 1.925 1.00 0.68 H new ATOM 0 HA ILE B 32 21.500 -5.882 1.854 1.00 0.66 H new ATOM 0 HB ILE B 32 22.026 -8.026 -0.230 1.00 0.71 H new ATOM 0 HG12 ILE B 32 23.442 -5.492 -0.477 1.00 0.88 H new ATOM 0 HG13 ILE B 32 23.656 -6.152 1.132 1.00 0.88 H new ATOM 0 HG21 ILE B 32 21.627 -6.319 -1.948 1.00 0.80 H new ATOM 0 HG22 ILE B 32 20.154 -6.680 -1.016 1.00 0.80 H new ATOM 0 HG23 ILE B 32 21.069 -5.189 -0.691 1.00 0.80 H new ATOM 0 HD11 ILE B 32 25.436 -6.900 -0.366 1.00 1.20 H new ATOM 0 HD12 ILE B 32 24.448 -8.280 0.169 1.00 1.20 H new ATOM 0 HD13 ILE B 32 24.230 -7.610 -1.465 1.00 1.20 H new ATOM 1919 N ILE B 33 19.053 -6.129 1.695 1.00 0.58 N ATOM 1920 CA ILE B 33 17.602 -6.243 1.656 1.00 0.56 C ATOM 1921 C ILE B 33 17.055 -5.774 0.313 1.00 0.54 C ATOM 1922 O ILE B 33 17.694 -4.990 -0.395 1.00 0.60 O ATOM 1923 CB ILE B 33 16.937 -5.436 2.792 1.00 0.56 C ATOM 1924 CG1 ILE B 33 17.371 -3.967 2.734 1.00 0.59 C ATOM 1925 CG2 ILE B 33 17.284 -6.052 4.142 1.00 0.67 C ATOM 1926 CD1 ILE B 33 16.671 -3.082 3.742 1.00 0.67 C ATOM 0 H ILE B 33 19.396 -5.214 1.986 1.00 0.58 H new ATOM 0 HA ILE B 33 17.362 -7.297 1.794 1.00 0.56 H new ATOM 0 HB ILE B 33 15.855 -5.472 2.663 1.00 0.56 H new ATOM 0 HG12 ILE B 33 18.447 -3.909 2.899 1.00 0.59 H new ATOM 0 HG13 ILE B 33 17.181 -3.581 1.732 1.00 0.59 H new ATOM 0 HG21 ILE B 33 16.811 -5.476 4.937 1.00 0.67 H new ATOM 0 HG22 ILE B 33 16.925 -7.081 4.176 1.00 0.67 H new ATOM 0 HG23 ILE B 33 18.365 -6.041 4.280 1.00 0.67 H new ATOM 0 HD11 ILE B 33 17.031 -2.058 3.639 1.00 0.67 H new ATOM 0 HD12 ILE B 33 15.596 -3.108 3.565 1.00 0.67 H new ATOM 0 HD13 ILE B 33 16.881 -3.441 4.749 1.00 0.67 H new ATOM 1938 N LYS B 34 15.872 -6.258 -0.037 1.00 0.53 N ATOM 1939 CA LYS B 34 15.243 -5.899 -1.297 1.00 0.53 C ATOM 1940 C LYS B 34 14.201 -4.809 -1.091 1.00 0.48 C ATOM 1941 O LYS B 34 13.147 -5.042 -0.494 1.00 0.57 O ATOM 1942 CB LYS B 34 14.593 -7.131 -1.931 1.00 0.58 C ATOM 1943 CG LYS B 34 15.462 -8.375 -1.862 1.00 0.76 C ATOM 1944 CD LYS B 34 14.830 -9.544 -2.601 1.00 0.87 C ATOM 1945 CE LYS B 34 15.391 -9.685 -4.003 1.00 1.07 C ATOM 1946 NZ LYS B 34 16.864 -9.873 -3.992 1.00 1.31 N ATOM 0 H LYS B 34 15.328 -6.902 0.537 1.00 0.53 H new ATOM 0 HA LYS B 34 16.013 -5.517 -1.967 1.00 0.53 H new ATOM 0 HB2 LYS B 34 13.645 -7.331 -1.431 1.00 0.58 H new ATOM 0 HB3 LYS B 34 14.363 -6.915 -2.974 1.00 0.58 H new ATOM 0 HG2 LYS B 34 16.441 -8.160 -2.291 1.00 0.76 H new ATOM 0 HG3 LYS B 34 15.624 -8.648 -0.819 1.00 0.76 H new ATOM 0 HD2 LYS B 34 15.004 -10.465 -2.044 1.00 0.87 H new ATOM 0 HD3 LYS B 34 13.750 -9.402 -2.653 1.00 0.87 H new ATOM 0 HE2 LYS B 34 14.920 -10.534 -4.499 1.00 1.07 H new ATOM 0 HE3 LYS B 34 15.142 -8.797 -4.585 1.00 1.07 H new ATOM 0 HZ1 LYS B 34 17.142 -10.487 -4.785 1.00 1.31 H new ATOM 0 HZ2 LYS B 34 17.333 -8.950 -4.088 1.00 1.31 H new ATOM 0 HZ3 LYS B 34 17.151 -10.315 -3.095 1.00 1.31 H new ATOM 1960 N VAL B 35 14.506 -3.621 -1.579 1.00 0.44 N ATOM 1961 CA VAL B 35 13.597 -2.492 -1.459 1.00 0.41 C ATOM 1962 C VAL B 35 13.053 -2.109 -2.833 1.00 0.42 C ATOM 1963 O VAL B 35 13.809 -1.748 -3.735 1.00 0.45 O ATOM 1964 CB VAL B 35 14.285 -1.278 -0.783 1.00 0.40 C ATOM 1965 CG1 VAL B 35 15.677 -1.046 -1.351 1.00 0.42 C ATOM 1966 CG2 VAL B 35 13.436 -0.021 -0.917 1.00 0.40 C ATOM 0 H VAL B 35 15.378 -3.411 -2.064 1.00 0.44 H new ATOM 0 HA VAL B 35 12.766 -2.793 -0.821 1.00 0.41 H new ATOM 0 HB VAL B 35 14.387 -1.508 0.277 1.00 0.40 H new ATOM 0 HG11 VAL B 35 16.133 -0.188 -0.857 1.00 0.42 H new ATOM 0 HG12 VAL B 35 16.291 -1.931 -1.182 1.00 0.42 H new ATOM 0 HG13 VAL B 35 15.606 -0.853 -2.421 1.00 0.42 H new ATOM 0 HG21 VAL B 35 13.943 0.814 -0.434 1.00 0.40 H new ATOM 0 HG22 VAL B 35 13.287 0.207 -1.973 1.00 0.40 H new ATOM 0 HG23 VAL B 35 12.469 -0.183 -0.441 1.00 0.40 H new ATOM 1976 N THR B 36 11.743 -2.222 -2.997 1.00 0.41 N ATOM 1977 CA THR B 36 11.109 -1.893 -4.261 1.00 0.43 C ATOM 1978 C THR B 36 10.618 -0.447 -4.254 1.00 0.39 C ATOM 1979 O THR B 36 9.701 -0.097 -3.509 1.00 0.40 O ATOM 1980 CB THR B 36 9.943 -2.848 -4.553 1.00 0.48 C ATOM 1981 OG1 THR B 36 10.234 -4.142 -4.008 1.00 0.56 O ATOM 1982 CG2 THR B 36 9.714 -2.967 -6.051 1.00 0.57 C ATOM 0 H THR B 36 11.101 -2.539 -2.271 1.00 0.41 H new ATOM 0 HA THR B 36 11.852 -2.006 -5.051 1.00 0.43 H new ATOM 0 HB THR B 36 9.040 -2.449 -4.091 1.00 0.48 H new ATOM 0 HG1 THR B 36 9.488 -4.750 -4.193 1.00 0.56 H new ATOM 0 HG21 THR B 36 8.884 -3.648 -6.239 1.00 0.57 H new ATOM 0 HG22 THR B 36 9.479 -1.985 -6.462 1.00 0.57 H new ATOM 0 HG23 THR B 36 10.615 -3.353 -6.527 1.00 0.57 H new ATOM 1990 N VAL B 37 11.234 0.374 -5.094 1.00 0.41 N ATOM 1991 CA VAL B 37 10.911 1.792 -5.184 1.00 0.40 C ATOM 1992 C VAL B 37 9.830 2.067 -6.229 1.00 0.43 C ATOM 1993 O VAL B 37 10.047 1.881 -7.429 1.00 0.51 O ATOM 1994 CB VAL B 37 12.180 2.607 -5.532 1.00 0.46 C ATOM 1995 CG1 VAL B 37 11.861 4.085 -5.691 1.00 0.52 C ATOM 1996 CG2 VAL B 37 13.250 2.409 -4.468 1.00 0.46 C ATOM 0 H VAL B 37 11.972 0.076 -5.732 1.00 0.41 H new ATOM 0 HA VAL B 37 10.527 2.098 -4.211 1.00 0.40 H new ATOM 0 HB VAL B 37 12.560 2.240 -6.485 1.00 0.46 H new ATOM 0 HG11 VAL B 37 12.773 4.630 -5.935 1.00 0.52 H new ATOM 0 HG12 VAL B 37 11.134 4.216 -6.493 1.00 0.52 H new ATOM 0 HG13 VAL B 37 11.447 4.470 -4.759 1.00 0.52 H new ATOM 0 HG21 VAL B 37 14.135 2.989 -4.729 1.00 0.46 H new ATOM 0 HG22 VAL B 37 12.869 2.743 -3.503 1.00 0.46 H new ATOM 0 HG23 VAL B 37 13.513 1.353 -4.409 1.00 0.46 H new ATOM 2006 N LYS B 38 8.664 2.497 -5.766 1.00 0.41 N ATOM 2007 CA LYS B 38 7.564 2.823 -6.660 1.00 0.46 C ATOM 2008 C LYS B 38 7.603 4.312 -6.983 1.00 0.50 C ATOM 2009 O LYS B 38 7.348 5.155 -6.117 1.00 0.63 O ATOM 2010 CB LYS B 38 6.220 2.446 -6.032 1.00 0.51 C ATOM 2011 CG LYS B 38 6.084 0.961 -5.733 1.00 0.65 C ATOM 2012 CD LYS B 38 4.798 0.652 -4.983 1.00 0.80 C ATOM 2013 CE LYS B 38 3.594 0.614 -5.912 1.00 1.18 C ATOM 2014 NZ LYS B 38 2.445 -0.097 -5.290 1.00 1.38 N ATOM 0 H LYS B 38 8.457 2.628 -4.776 1.00 0.41 H new ATOM 0 HA LYS B 38 7.673 2.250 -7.581 1.00 0.46 H new ATOM 0 HB2 LYS B 38 6.090 3.008 -5.107 1.00 0.51 H new ATOM 0 HB3 LYS B 38 5.417 2.748 -6.704 1.00 0.51 H new ATOM 0 HG2 LYS B 38 6.104 0.399 -6.667 1.00 0.65 H new ATOM 0 HG3 LYS B 38 6.938 0.629 -5.142 1.00 0.65 H new ATOM 0 HD2 LYS B 38 4.895 -0.308 -4.476 1.00 0.80 H new ATOM 0 HD3 LYS B 38 4.638 1.405 -4.212 1.00 0.80 H new ATOM 0 HE2 LYS B 38 3.298 1.632 -6.167 1.00 1.18 H new ATOM 0 HE3 LYS B 38 3.868 0.119 -6.844 1.00 1.18 H new ATOM 0 HZ1 LYS B 38 1.818 -0.462 -6.035 1.00 1.38 H new ATOM 0 HZ2 LYS B 38 2.797 -0.889 -4.715 1.00 1.38 H new ATOM 0 HZ3 LYS B 38 1.916 0.562 -4.684 1.00 1.38 H new ATOM 2028 N THR B 39 7.926 4.629 -8.224 1.00 0.55 N ATOM 2029 CA THR B 39 8.035 6.009 -8.664 1.00 0.60 C ATOM 2030 C THR B 39 7.089 6.276 -9.828 1.00 0.65 C ATOM 2031 O THR B 39 6.618 5.331 -10.466 1.00 0.67 O ATOM 2032 CB THR B 39 9.480 6.317 -9.106 1.00 0.64 C ATOM 2033 OG1 THR B 39 10.129 5.106 -9.514 1.00 0.78 O ATOM 2034 CG2 THR B 39 10.268 6.967 -7.980 1.00 0.68 C ATOM 0 H THR B 39 8.119 3.941 -8.952 1.00 0.55 H new ATOM 0 HA THR B 39 7.765 6.653 -7.827 1.00 0.60 H new ATOM 0 HB THR B 39 9.441 7.013 -9.944 1.00 0.64 H new ATOM 0 HG1 THR B 39 11.046 5.305 -9.796 1.00 0.78 H new ATOM 0 HG21 THR B 39 11.283 7.174 -8.319 1.00 0.68 H new ATOM 0 HG22 THR B 39 9.785 7.900 -7.690 1.00 0.68 H new ATOM 0 HG23 THR B 39 10.301 6.294 -7.123 1.00 0.68 H new ATOM 2042 N PRO B 40 6.778 7.556 -10.112 1.00 0.71 N ATOM 2043 CA PRO B 40 5.902 7.927 -11.233 1.00 0.78 C ATOM 2044 C PRO B 40 6.593 7.699 -12.577 1.00 0.81 C ATOM 2045 O PRO B 40 6.811 8.635 -13.350 1.00 0.87 O ATOM 2046 CB PRO B 40 5.642 9.419 -11.002 1.00 0.83 C ATOM 2047 CG PRO B 40 6.813 9.898 -10.218 1.00 0.85 C ATOM 2048 CD PRO B 40 7.232 8.741 -9.354 1.00 0.73 C ATOM 0 HA PRO B 40 4.989 7.332 -11.268 1.00 0.78 H new ATOM 0 HB2 PRO B 40 5.554 9.955 -11.947 1.00 0.83 H new ATOM 0 HB3 PRO B 40 4.711 9.578 -10.458 1.00 0.83 H new ATOM 0 HG2 PRO B 40 7.624 10.207 -10.877 1.00 0.85 H new ATOM 0 HG3 PRO B 40 6.549 10.763 -9.610 1.00 0.85 H new ATOM 0 HD2 PRO B 40 8.311 8.728 -9.198 1.00 0.73 H new ATOM 0 HD3 PRO B 40 6.768 8.788 -8.369 1.00 0.73 H new ATOM 2056 N LYS B 41 6.936 6.447 -12.839 1.00 0.82 N ATOM 2057 CA LYS B 41 7.628 6.068 -14.061 1.00 0.87 C ATOM 2058 C LYS B 41 7.673 4.551 -14.185 1.00 0.84 C ATOM 2059 O LYS B 41 7.342 3.991 -15.233 1.00 0.92 O ATOM 2060 CB LYS B 41 9.053 6.637 -14.046 1.00 0.93 C ATOM 2061 CG LYS B 41 9.717 6.698 -15.412 1.00 1.13 C ATOM 2062 CD LYS B 41 10.921 7.626 -15.391 1.00 1.21 C ATOM 2063 CE LYS B 41 11.557 7.765 -16.766 1.00 1.44 C ATOM 2064 NZ LYS B 41 12.472 8.935 -16.843 1.00 1.37 N ATOM 0 H LYS B 41 6.743 5.666 -12.212 1.00 0.82 H new ATOM 0 HA LYS B 41 7.090 6.475 -14.917 1.00 0.87 H new ATOM 0 HB2 LYS B 41 9.026 7.641 -13.623 1.00 0.93 H new ATOM 0 HB3 LYS B 41 9.668 6.028 -13.383 1.00 0.93 H new ATOM 0 HG2 LYS B 41 10.029 5.698 -15.714 1.00 1.13 H new ATOM 0 HG3 LYS B 41 8.999 7.045 -16.154 1.00 1.13 H new ATOM 0 HD2 LYS B 41 10.615 8.609 -15.032 1.00 1.21 H new ATOM 0 HD3 LYS B 41 11.660 7.245 -14.686 1.00 1.21 H new ATOM 0 HE2 LYS B 41 12.110 6.856 -17.003 1.00 1.44 H new ATOM 0 HE3 LYS B 41 10.775 7.867 -17.518 1.00 1.44 H new ATOM 0 HZ1 LYS B 41 12.883 8.992 -17.797 1.00 1.37 H new ATOM 0 HZ2 LYS B 41 11.940 9.806 -16.643 1.00 1.37 H new ATOM 0 HZ3 LYS B 41 13.234 8.827 -16.143 1.00 1.37 H new ATOM 2078 N GLU B 42 8.074 3.893 -13.102 1.00 0.77 N ATOM 2079 CA GLU B 42 8.167 2.442 -13.071 1.00 0.75 C ATOM 2080 C GLU B 42 8.378 1.954 -11.641 1.00 0.70 C ATOM 2081 O GLU B 42 8.299 2.736 -10.687 1.00 0.73 O ATOM 2082 CB GLU B 42 9.308 1.955 -13.973 1.00 0.83 C ATOM 2083 CG GLU B 42 8.856 0.951 -15.020 1.00 1.03 C ATOM 2084 CD GLU B 42 9.975 0.524 -15.947 1.00 1.08 C ATOM 2085 OE1 GLU B 42 11.100 0.284 -15.459 1.00 1.28 O ATOM 2086 OE2 GLU B 42 9.730 0.423 -17.167 1.00 1.41 O ATOM 0 H GLU B 42 8.341 4.348 -12.229 1.00 0.77 H new ATOM 0 HA GLU B 42 7.230 2.030 -13.446 1.00 0.75 H new ATOM 0 HB2 GLU B 42 9.759 2.813 -14.472 1.00 0.83 H new ATOM 0 HB3 GLU B 42 10.083 1.502 -13.355 1.00 0.83 H new ATOM 0 HG2 GLU B 42 8.448 0.072 -14.521 1.00 1.03 H new ATOM 0 HG3 GLU B 42 8.049 1.386 -15.609 1.00 1.03 H new ATOM 2093 N LYS B 43 8.635 0.663 -11.504 1.00 0.68 N ATOM 2094 CA LYS B 43 8.852 0.048 -10.204 1.00 0.64 C ATOM 2095 C LYS B 43 10.193 -0.686 -10.191 1.00 0.63 C ATOM 2096 O LYS B 43 10.270 -1.872 -10.521 1.00 0.74 O ATOM 2097 CB LYS B 43 7.706 -0.921 -9.899 1.00 0.67 C ATOM 2098 CG LYS B 43 7.802 -1.585 -8.538 1.00 0.67 C ATOM 2099 CD LYS B 43 6.834 -2.752 -8.416 1.00 0.74 C ATOM 2100 CE LYS B 43 7.213 -3.894 -9.346 1.00 0.83 C ATOM 2101 NZ LYS B 43 6.300 -5.055 -9.198 1.00 0.98 N ATOM 0 H LYS B 43 8.699 0.014 -12.288 1.00 0.68 H new ATOM 0 HA LYS B 43 8.875 0.821 -9.436 1.00 0.64 H new ATOM 0 HB2 LYS B 43 6.761 -0.381 -9.962 1.00 0.67 H new ATOM 0 HB3 LYS B 43 7.683 -1.694 -10.668 1.00 0.67 H new ATOM 0 HG2 LYS B 43 8.820 -1.938 -8.375 1.00 0.67 H new ATOM 0 HG3 LYS B 43 7.590 -0.852 -7.759 1.00 0.67 H new ATOM 0 HD2 LYS B 43 6.822 -3.109 -7.386 1.00 0.74 H new ATOM 0 HD3 LYS B 43 5.824 -2.413 -8.648 1.00 0.74 H new ATOM 0 HE2 LYS B 43 7.191 -3.544 -10.378 1.00 0.83 H new ATOM 0 HE3 LYS B 43 8.236 -4.208 -9.138 1.00 0.83 H new ATOM 0 HZ1 LYS B 43 6.592 -5.812 -9.849 1.00 0.98 H new ATOM 0 HZ2 LYS B 43 6.340 -5.405 -8.220 1.00 0.98 H new ATOM 0 HZ3 LYS B 43 5.327 -4.763 -9.422 1.00 0.98 H new ATOM 2115 N GLU B 44 11.246 0.020 -9.811 1.00 0.59 N ATOM 2116 CA GLU B 44 12.580 -0.562 -9.784 1.00 0.60 C ATOM 2117 C GLU B 44 12.935 -1.047 -8.383 1.00 0.56 C ATOM 2118 O GLU B 44 12.439 -0.520 -7.390 1.00 0.60 O ATOM 2119 CB GLU B 44 13.612 0.461 -10.260 1.00 0.64 C ATOM 2120 CG GLU B 44 14.721 -0.143 -11.101 1.00 0.81 C ATOM 2121 CD GLU B 44 14.305 -0.386 -12.539 1.00 1.02 C ATOM 2122 OE1 GLU B 44 13.411 -1.229 -12.779 1.00 1.24 O ATOM 2123 OE2 GLU B 44 14.874 0.272 -13.439 1.00 1.21 O ATOM 0 H GLU B 44 11.204 0.996 -9.517 1.00 0.59 H new ATOM 0 HA GLU B 44 12.590 -1.419 -10.457 1.00 0.60 H new ATOM 0 HB2 GLU B 44 13.106 1.232 -10.840 1.00 0.64 H new ATOM 0 HB3 GLU B 44 14.052 0.952 -9.392 1.00 0.64 H new ATOM 0 HG2 GLU B 44 15.585 0.521 -11.085 1.00 0.81 H new ATOM 0 HG3 GLU B 44 15.036 -1.086 -10.655 1.00 0.81 H new ATOM 2130 N GLU B 45 13.793 -2.052 -8.310 1.00 0.56 N ATOM 2131 CA GLU B 45 14.214 -2.609 -7.035 1.00 0.53 C ATOM 2132 C GLU B 45 15.669 -2.244 -6.753 1.00 0.55 C ATOM 2133 O GLU B 45 16.537 -2.382 -7.620 1.00 0.64 O ATOM 2134 CB GLU B 45 14.043 -4.127 -7.042 1.00 0.57 C ATOM 2135 CG GLU B 45 14.252 -4.774 -5.684 1.00 0.58 C ATOM 2136 CD GLU B 45 14.304 -6.283 -5.766 1.00 0.76 C ATOM 2137 OE1 GLU B 45 13.248 -6.909 -6.008 1.00 0.94 O ATOM 2138 OE2 GLU B 45 15.403 -6.852 -5.597 1.00 0.99 O ATOM 0 H GLU B 45 14.213 -2.501 -9.124 1.00 0.56 H new ATOM 0 HA GLU B 45 13.590 -2.189 -6.246 1.00 0.53 H new ATOM 0 HB2 GLU B 45 13.042 -4.369 -7.399 1.00 0.57 H new ATOM 0 HB3 GLU B 45 14.748 -4.559 -7.752 1.00 0.57 H new ATOM 0 HG2 GLU B 45 15.180 -4.404 -5.248 1.00 0.58 H new ATOM 0 HG3 GLU B 45 13.444 -4.477 -5.015 1.00 0.58 H new ATOM 2145 N PHE B 46 15.922 -1.768 -5.544 1.00 0.51 N ATOM 2146 CA PHE B 46 17.262 -1.383 -5.136 1.00 0.54 C ATOM 2147 C PHE B 46 17.818 -2.388 -4.132 1.00 0.54 C ATOM 2148 O PHE B 46 17.072 -3.194 -3.567 1.00 0.54 O ATOM 2149 CB PHE B 46 17.255 0.026 -4.532 1.00 0.53 C ATOM 2150 CG PHE B 46 17.405 1.126 -5.545 1.00 0.58 C ATOM 2151 CD1 PHE B 46 16.477 1.283 -6.561 1.00 0.72 C ATOM 2152 CD2 PHE B 46 18.478 2.001 -5.478 1.00 0.78 C ATOM 2153 CE1 PHE B 46 16.614 2.296 -7.489 1.00 0.85 C ATOM 2154 CE2 PHE B 46 18.618 3.015 -6.402 1.00 0.90 C ATOM 2155 CZ PHE B 46 17.687 3.163 -7.412 1.00 0.87 C ATOM 0 H PHE B 46 15.211 -1.639 -4.824 1.00 0.51 H new ATOM 0 HA PHE B 46 17.904 -1.378 -6.017 1.00 0.54 H new ATOM 0 HB2 PHE B 46 16.322 0.172 -3.988 1.00 0.53 H new ATOM 0 HB3 PHE B 46 18.064 0.103 -3.805 1.00 0.53 H new ATOM 0 HD1 PHE B 46 15.638 0.606 -6.628 1.00 0.72 H new ATOM 0 HD2 PHE B 46 19.212 1.887 -4.694 1.00 0.78 H new ATOM 0 HE1 PHE B 46 15.882 2.411 -8.275 1.00 0.85 H new ATOM 0 HE2 PHE B 46 19.456 3.694 -6.336 1.00 0.90 H new ATOM 0 HZ PHE B 46 17.798 3.954 -8.139 1.00 0.87 H new ATOM 2165 N ALA B 47 19.123 -2.339 -3.918 1.00 0.57 N ATOM 2166 CA ALA B 47 19.783 -3.245 -2.993 1.00 0.60 C ATOM 2167 C ALA B 47 20.630 -2.470 -1.991 1.00 0.60 C ATOM 2168 O ALA B 47 21.608 -1.824 -2.366 1.00 0.66 O ATOM 2169 CB ALA B 47 20.642 -4.233 -3.767 1.00 0.69 C ATOM 0 H ALA B 47 19.749 -1.677 -4.376 1.00 0.57 H new ATOM 0 HA ALA B 47 19.023 -3.795 -2.437 1.00 0.60 H new ATOM 0 HB1 ALA B 47 21.135 -4.910 -3.070 1.00 0.69 H new ATOM 0 HB2 ALA B 47 20.013 -4.807 -4.447 1.00 0.69 H new ATOM 0 HB3 ALA B 47 21.394 -3.690 -4.339 1.00 0.69 H new ATOM 2175 N VAL B 48 20.249 -2.524 -0.721 1.00 0.57 N ATOM 2176 CA VAL B 48 20.981 -1.818 0.324 1.00 0.59 C ATOM 2177 C VAL B 48 21.230 -2.728 1.528 1.00 0.58 C ATOM 2178 O VAL B 48 20.477 -3.674 1.759 1.00 0.57 O ATOM 2179 CB VAL B 48 20.232 -0.547 0.790 1.00 0.59 C ATOM 2180 CG1 VAL B 48 20.393 0.573 -0.226 1.00 0.66 C ATOM 2181 CG2 VAL B 48 18.758 -0.840 1.039 1.00 0.56 C ATOM 0 H VAL B 48 19.439 -3.048 -0.390 1.00 0.57 H new ATOM 0 HA VAL B 48 21.936 -1.519 -0.107 1.00 0.59 H new ATOM 0 HB VAL B 48 20.674 -0.223 1.732 1.00 0.59 H new ATOM 0 HG11 VAL B 48 19.859 1.458 0.120 1.00 0.66 H new ATOM 0 HG12 VAL B 48 21.451 0.810 -0.342 1.00 0.66 H new ATOM 0 HG13 VAL B 48 19.985 0.255 -1.185 1.00 0.66 H new ATOM 0 HG21 VAL B 48 18.256 0.071 1.365 1.00 0.56 H new ATOM 0 HG22 VAL B 48 18.298 -1.198 0.118 1.00 0.56 H new ATOM 0 HG23 VAL B 48 18.664 -1.603 1.812 1.00 0.56 H new ATOM 2191 N PRO B 49 22.305 -2.472 2.294 1.00 0.62 N ATOM 2192 CA PRO B 49 22.640 -3.265 3.481 1.00 0.63 C ATOM 2193 C PRO B 49 21.655 -3.035 4.625 1.00 0.60 C ATOM 2194 O PRO B 49 21.087 -1.949 4.766 1.00 0.61 O ATOM 2195 CB PRO B 49 24.040 -2.768 3.876 1.00 0.69 C ATOM 2196 CG PRO B 49 24.519 -1.943 2.729 1.00 0.79 C ATOM 2197 CD PRO B 49 23.289 -1.406 2.062 1.00 0.67 C ATOM 0 HA PRO B 49 22.601 -4.334 3.274 1.00 0.63 H new ATOM 0 HB2 PRO B 49 24.001 -2.178 4.792 1.00 0.69 H new ATOM 0 HB3 PRO B 49 24.713 -3.605 4.064 1.00 0.69 H new ATOM 0 HG2 PRO B 49 25.161 -1.132 3.073 1.00 0.79 H new ATOM 0 HG3 PRO B 49 25.108 -2.544 2.036 1.00 0.79 H new ATOM 0 HD2 PRO B 49 22.971 -0.459 2.500 1.00 0.67 H new ATOM 0 HD3 PRO B 49 23.450 -1.228 0.999 1.00 0.67 H new ATOM 2205 N GLU B 50 21.474 -4.057 5.450 1.00 0.61 N ATOM 2206 CA GLU B 50 20.562 -3.994 6.588 1.00 0.61 C ATOM 2207 C GLU B 50 21.209 -3.295 7.791 1.00 0.67 C ATOM 2208 O GLU B 50 20.904 -3.606 8.945 1.00 1.01 O ATOM 2209 CB GLU B 50 20.141 -5.413 6.966 1.00 0.68 C ATOM 2210 CG GLU B 50 18.770 -5.503 7.607 1.00 0.86 C ATOM 2211 CD GLU B 50 18.464 -6.897 8.103 1.00 0.93 C ATOM 2212 OE1 GLU B 50 18.896 -7.239 9.223 1.00 1.12 O ATOM 2213 OE2 GLU B 50 17.787 -7.658 7.383 1.00 1.08 O ATOM 0 H GLU B 50 21.953 -4.952 5.351 1.00 0.61 H new ATOM 0 HA GLU B 50 19.688 -3.408 6.302 1.00 0.61 H new ATOM 0 HB2 GLU B 50 20.153 -6.034 6.071 1.00 0.68 H new ATOM 0 HB3 GLU B 50 20.879 -5.829 7.652 1.00 0.68 H new ATOM 0 HG2 GLU B 50 18.713 -4.802 8.440 1.00 0.86 H new ATOM 0 HG3 GLU B 50 18.012 -5.202 6.884 1.00 0.86 H new ATOM 2220 N ASN B 51 22.091 -2.342 7.516 1.00 0.67 N ATOM 2221 CA ASN B 51 22.783 -1.603 8.569 1.00 0.69 C ATOM 2222 C ASN B 51 23.319 -0.275 8.031 1.00 0.71 C ATOM 2223 O ASN B 51 24.461 0.110 8.288 1.00 0.96 O ATOM 2224 CB ASN B 51 23.917 -2.452 9.173 1.00 0.76 C ATOM 2225 CG ASN B 51 25.042 -2.761 8.194 1.00 0.86 C ATOM 2226 OD1 ASN B 51 24.857 -2.755 6.976 1.00 0.87 O ATOM 2227 ND2 ASN B 51 26.225 -3.037 8.722 1.00 1.20 N ATOM 0 H ASN B 51 22.346 -2.061 6.569 1.00 0.67 H new ATOM 0 HA ASN B 51 22.068 -1.383 9.362 1.00 0.69 H new ATOM 0 HB2 ASN B 51 24.331 -1.928 10.034 1.00 0.76 H new ATOM 0 HB3 ASN B 51 23.500 -3.390 9.541 1.00 0.76 H new ATOM 0 HD21 ASN B 51 27.016 -3.253 8.116 1.00 1.20 H new ATOM 0 HD22 ASN B 51 26.345 -3.034 9.735 1.00 1.20 H new ATOM 2234 N SER B 52 22.481 0.426 7.280 1.00 0.65 N ATOM 2235 CA SER B 52 22.859 1.711 6.709 1.00 0.67 C ATOM 2236 C SER B 52 21.862 2.794 7.114 1.00 0.63 C ATOM 2237 O SER B 52 20.759 2.490 7.578 1.00 0.68 O ATOM 2238 CB SER B 52 22.929 1.603 5.186 1.00 0.71 C ATOM 2239 OG SER B 52 23.878 0.630 4.791 1.00 0.86 O ATOM 0 H SER B 52 21.533 0.126 7.052 1.00 0.65 H new ATOM 0 HA SER B 52 23.841 1.987 7.093 1.00 0.67 H new ATOM 0 HB2 SER B 52 21.948 1.341 4.791 1.00 0.71 H new ATOM 0 HB3 SER B 52 23.196 2.571 4.761 1.00 0.71 H new ATOM 0 HG SER B 52 24.141 0.788 3.860 1.00 0.86 H new ATOM 2245 N SER B 53 22.257 4.049 6.949 1.00 0.65 N ATOM 2246 CA SER B 53 21.406 5.173 7.296 1.00 0.64 C ATOM 2247 C SER B 53 20.535 5.580 6.106 1.00 0.57 C ATOM 2248 O SER B 53 20.877 5.311 4.950 1.00 0.58 O ATOM 2249 CB SER B 53 22.267 6.352 7.755 1.00 0.75 C ATOM 2250 OG SER B 53 23.149 5.963 8.798 1.00 0.89 O ATOM 0 H SER B 53 23.168 4.313 6.574 1.00 0.65 H new ATOM 0 HA SER B 53 20.747 4.875 8.111 1.00 0.64 H new ATOM 0 HB2 SER B 53 22.842 6.737 6.913 1.00 0.75 H new ATOM 0 HB3 SER B 53 21.625 7.163 8.100 1.00 0.75 H new ATOM 0 HG SER B 53 23.690 6.733 9.073 1.00 0.89 H new ATOM 2256 N VAL B 54 19.417 6.235 6.399 1.00 0.54 N ATOM 2257 CA VAL B 54 18.480 6.673 5.371 1.00 0.49 C ATOM 2258 C VAL B 54 19.100 7.728 4.463 1.00 0.48 C ATOM 2259 O VAL B 54 18.903 7.699 3.248 1.00 0.47 O ATOM 2260 CB VAL B 54 17.188 7.233 6.000 1.00 0.52 C ATOM 2261 CG1 VAL B 54 16.221 7.706 4.923 1.00 0.57 C ATOM 2262 CG2 VAL B 54 16.536 6.180 6.885 1.00 0.58 C ATOM 0 H VAL B 54 19.136 6.476 7.349 1.00 0.54 H new ATOM 0 HA VAL B 54 18.234 5.797 4.771 1.00 0.49 H new ATOM 0 HB VAL B 54 17.449 8.093 6.617 1.00 0.52 H new ATOM 0 HG11 VAL B 54 15.318 8.097 5.391 1.00 0.57 H new ATOM 0 HG12 VAL B 54 16.691 8.491 4.331 1.00 0.57 H new ATOM 0 HG13 VAL B 54 15.961 6.869 4.275 1.00 0.57 H new ATOM 0 HG21 VAL B 54 15.625 6.587 7.324 1.00 0.58 H new ATOM 0 HG22 VAL B 54 16.290 5.303 6.286 1.00 0.58 H new ATOM 0 HG23 VAL B 54 17.225 5.895 7.680 1.00 0.58 H new ATOM 2272 N GLN B 55 19.858 8.648 5.054 1.00 0.53 N ATOM 2273 CA GLN B 55 20.516 9.709 4.296 1.00 0.58 C ATOM 2274 C GLN B 55 21.361 9.135 3.163 1.00 0.58 C ATOM 2275 O GLN B 55 21.385 9.673 2.056 1.00 0.64 O ATOM 2276 CB GLN B 55 21.391 10.553 5.222 1.00 0.67 C ATOM 2277 CG GLN B 55 20.604 11.476 6.138 1.00 0.88 C ATOM 2278 CD GLN B 55 21.498 12.380 6.961 1.00 0.92 C ATOM 2279 OE1 GLN B 55 21.846 13.478 6.535 1.00 1.13 O ATOM 2280 NE2 GLN B 55 21.882 11.924 8.144 1.00 1.23 N ATOM 0 H GLN B 55 20.032 8.680 6.059 1.00 0.53 H new ATOM 0 HA GLN B 55 19.742 10.339 3.858 1.00 0.58 H new ATOM 0 HB2 GLN B 55 22.005 9.889 5.831 1.00 0.67 H new ATOM 0 HB3 GLN B 55 22.072 11.151 4.617 1.00 0.67 H new ATOM 0 HG2 GLN B 55 19.928 12.087 5.539 1.00 0.88 H new ATOM 0 HG3 GLN B 55 19.985 10.877 6.806 1.00 0.88 H new ATOM 0 HE21 GLN B 55 21.571 11.006 8.462 1.00 1.23 H new ATOM 0 HE22 GLN B 55 22.488 12.491 8.737 1.00 1.23 H new ATOM 2289 N GLN B 56 22.025 8.020 3.445 1.00 0.56 N ATOM 2290 CA GLN B 56 22.874 7.355 2.465 1.00 0.60 C ATOM 2291 C GLN B 56 22.042 6.844 1.284 1.00 0.55 C ATOM 2292 O GLN B 56 22.489 6.871 0.137 1.00 0.62 O ATOM 2293 CB GLN B 56 23.621 6.193 3.127 1.00 0.65 C ATOM 2294 CG GLN B 56 24.700 5.575 2.254 1.00 0.80 C ATOM 2295 CD GLN B 56 25.742 6.586 1.820 1.00 1.02 C ATOM 2296 OE1 GLN B 56 26.733 6.811 2.516 1.00 1.35 O ATOM 2297 NE2 GLN B 56 25.523 7.204 0.670 1.00 1.27 N ATOM 0 H GLN B 56 21.991 7.555 4.352 1.00 0.56 H new ATOM 0 HA GLN B 56 23.598 8.076 2.086 1.00 0.60 H new ATOM 0 HB2 GLN B 56 24.075 6.547 4.053 1.00 0.65 H new ATOM 0 HB3 GLN B 56 22.902 5.421 3.400 1.00 0.65 H new ATOM 0 HG2 GLN B 56 25.187 4.767 2.800 1.00 0.80 H new ATOM 0 HG3 GLN B 56 24.239 5.131 1.372 1.00 0.80 H new ATOM 0 HE21 GLN B 56 24.688 6.987 0.125 1.00 1.27 H new ATOM 0 HE22 GLN B 56 26.189 7.897 0.329 1.00 1.27 H new ATOM 2306 N PHE B 57 20.826 6.394 1.576 1.00 0.50 N ATOM 2307 CA PHE B 57 19.927 5.881 0.549 1.00 0.49 C ATOM 2308 C PHE B 57 19.326 7.031 -0.250 1.00 0.47 C ATOM 2309 O PHE B 57 19.176 6.937 -1.468 1.00 0.49 O ATOM 2310 CB PHE B 57 18.813 5.043 1.188 1.00 0.48 C ATOM 2311 CG PHE B 57 17.938 4.314 0.202 1.00 0.50 C ATOM 2312 CD1 PHE B 57 18.494 3.544 -0.804 1.00 0.56 C ATOM 2313 CD2 PHE B 57 16.556 4.392 0.291 1.00 0.53 C ATOM 2314 CE1 PHE B 57 17.692 2.867 -1.704 1.00 0.64 C ATOM 2315 CE2 PHE B 57 15.748 3.719 -0.606 1.00 0.59 C ATOM 2316 CZ PHE B 57 16.317 2.955 -1.604 1.00 0.64 C ATOM 0 H PHE B 57 20.439 6.374 2.520 1.00 0.50 H new ATOM 0 HA PHE B 57 20.499 5.246 -0.128 1.00 0.49 H new ATOM 0 HB2 PHE B 57 19.264 4.315 1.862 1.00 0.48 H new ATOM 0 HB3 PHE B 57 18.188 5.696 1.797 1.00 0.48 H new ATOM 0 HD1 PHE B 57 19.568 3.471 -0.887 1.00 0.56 H new ATOM 0 HD2 PHE B 57 16.105 4.987 1.072 1.00 0.53 H new ATOM 0 HE1 PHE B 57 18.140 2.270 -2.484 1.00 0.64 H new ATOM 0 HE2 PHE B 57 14.673 3.791 -0.526 1.00 0.59 H new ATOM 0 HZ PHE B 57 15.689 2.427 -2.306 1.00 0.64 H new ATOM 2326 N LYS B 58 18.997 8.117 0.446 1.00 0.47 N ATOM 2327 CA LYS B 58 18.413 9.294 -0.189 1.00 0.48 C ATOM 2328 C LYS B 58 19.317 9.807 -1.302 1.00 0.49 C ATOM 2329 O LYS B 58 18.879 9.984 -2.439 1.00 0.53 O ATOM 2330 CB LYS B 58 18.185 10.406 0.838 1.00 0.53 C ATOM 2331 CG LYS B 58 17.130 10.079 1.884 1.00 0.62 C ATOM 2332 CD LYS B 58 17.044 11.162 2.953 1.00 0.70 C ATOM 2333 CE LYS B 58 16.416 12.440 2.412 1.00 0.77 C ATOM 2334 NZ LYS B 58 16.528 13.566 3.374 1.00 1.01 N ATOM 0 H LYS B 58 19.126 8.205 1.454 1.00 0.47 H new ATOM 0 HA LYS B 58 17.453 9.002 -0.615 1.00 0.48 H new ATOM 0 HB2 LYS B 58 19.128 10.619 1.342 1.00 0.53 H new ATOM 0 HB3 LYS B 58 17.892 11.315 0.314 1.00 0.53 H new ATOM 0 HG2 LYS B 58 16.160 9.967 1.400 1.00 0.62 H new ATOM 0 HG3 LYS B 58 17.365 9.123 2.352 1.00 0.62 H new ATOM 0 HD2 LYS B 58 16.456 10.796 3.795 1.00 0.70 H new ATOM 0 HD3 LYS B 58 18.043 11.379 3.332 1.00 0.70 H new ATOM 0 HE2 LYS B 58 16.901 12.714 1.475 1.00 0.77 H new ATOM 0 HE3 LYS B 58 15.365 12.260 2.186 1.00 0.77 H new ATOM 0 HZ1 LYS B 58 16.073 14.411 2.974 1.00 1.01 H new ATOM 0 HZ2 LYS B 58 16.058 13.309 4.265 1.00 1.01 H new ATOM 0 HZ3 LYS B 58 17.532 13.767 3.558 1.00 1.01 H new ATOM 2348 N GLU B 59 20.588 10.012 -0.969 1.00 0.51 N ATOM 2349 CA GLU B 59 21.566 10.509 -1.928 1.00 0.56 C ATOM 2350 C GLU B 59 21.804 9.512 -3.060 1.00 0.57 C ATOM 2351 O GLU B 59 22.279 9.881 -4.135 1.00 0.65 O ATOM 2352 CB GLU B 59 22.887 10.829 -1.229 1.00 0.63 C ATOM 2353 CG GLU B 59 22.847 12.107 -0.406 1.00 1.06 C ATOM 2354 CD GLU B 59 24.210 12.519 0.104 1.00 0.97 C ATOM 2355 OE1 GLU B 59 25.172 12.533 -0.698 1.00 1.30 O ATOM 2356 OE2 GLU B 59 24.331 12.832 1.306 1.00 1.14 O ATOM 0 H GLU B 59 20.965 9.840 -0.037 1.00 0.51 H new ATOM 0 HA GLU B 59 21.160 11.422 -2.363 1.00 0.56 H new ATOM 0 HB2 GLU B 59 23.155 9.996 -0.579 1.00 0.63 H new ATOM 0 HB3 GLU B 59 23.674 10.914 -1.979 1.00 0.63 H new ATOM 0 HG2 GLU B 59 22.433 12.912 -1.013 1.00 1.06 H new ATOM 0 HG3 GLU B 59 22.174 11.968 0.440 1.00 1.06 H new ATOM 2363 N ALA B 60 21.484 8.248 -2.818 1.00 0.55 N ATOM 2364 CA ALA B 60 21.658 7.220 -3.828 1.00 0.57 C ATOM 2365 C ALA B 60 20.565 7.328 -4.883 1.00 0.56 C ATOM 2366 O ALA B 60 20.841 7.297 -6.084 1.00 0.59 O ATOM 2367 CB ALA B 60 21.657 5.838 -3.192 1.00 0.59 C ATOM 0 H ALA B 60 21.104 7.913 -1.933 1.00 0.55 H new ATOM 0 HA ALA B 60 22.623 7.369 -4.313 1.00 0.57 H new ATOM 0 HB1 ALA B 60 21.789 5.081 -3.966 1.00 0.59 H new ATOM 0 HB2 ALA B 60 22.473 5.768 -2.473 1.00 0.59 H new ATOM 0 HB3 ALA B 60 20.708 5.673 -2.681 1.00 0.59 H new ATOM 2373 N ILE B 61 19.329 7.492 -4.430 1.00 0.52 N ATOM 2374 CA ILE B 61 18.187 7.603 -5.335 1.00 0.52 C ATOM 2375 C ILE B 61 18.283 8.862 -6.194 1.00 0.55 C ATOM 2376 O ILE B 61 18.008 8.822 -7.394 1.00 0.59 O ATOM 2377 CB ILE B 61 16.843 7.624 -4.574 1.00 0.50 C ATOM 2378 CG1 ILE B 61 16.821 6.561 -3.475 1.00 0.51 C ATOM 2379 CG2 ILE B 61 15.690 7.401 -5.542 1.00 0.52 C ATOM 2380 CD1 ILE B 61 15.615 6.657 -2.564 1.00 0.56 C ATOM 0 H ILE B 61 19.089 7.551 -3.440 1.00 0.52 H new ATOM 0 HA ILE B 61 18.217 6.719 -5.972 1.00 0.52 H new ATOM 0 HB ILE B 61 16.731 8.602 -4.105 1.00 0.50 H new ATOM 0 HG12 ILE B 61 16.840 5.573 -3.936 1.00 0.51 H new ATOM 0 HG13 ILE B 61 17.727 6.651 -2.876 1.00 0.51 H new ATOM 0 HG21 ILE B 61 14.747 7.418 -4.995 1.00 0.52 H new ATOM 0 HG22 ILE B 61 15.688 8.191 -6.293 1.00 0.52 H new ATOM 0 HG23 ILE B 61 15.808 6.435 -6.032 1.00 0.52 H new ATOM 0 HD11 ILE B 61 15.666 5.872 -1.809 1.00 0.56 H new ATOM 0 HD12 ILE B 61 15.605 7.631 -2.075 1.00 0.56 H new ATOM 0 HD13 ILE B 61 14.705 6.537 -3.151 1.00 0.56 H new ATOM 2392 N SER B 62 18.695 9.966 -5.582 1.00 0.55 N ATOM 2393 CA SER B 62 18.813 11.234 -6.293 1.00 0.59 C ATOM 2394 C SER B 62 19.879 11.166 -7.386 1.00 0.63 C ATOM 2395 O SER B 62 19.790 11.870 -8.388 1.00 0.70 O ATOM 2396 CB SER B 62 19.131 12.367 -5.316 1.00 0.61 C ATOM 2397 OG SER B 62 19.971 11.921 -4.267 1.00 0.70 O ATOM 0 H SER B 62 18.953 10.009 -4.596 1.00 0.55 H new ATOM 0 HA SER B 62 17.854 11.435 -6.771 1.00 0.59 H new ATOM 0 HB2 SER B 62 19.615 13.185 -5.850 1.00 0.61 H new ATOM 0 HB3 SER B 62 18.204 12.762 -4.900 1.00 0.61 H new ATOM 0 HG SER B 62 20.669 11.338 -4.632 1.00 0.70 H new ATOM 2403 N LYS B 63 20.875 10.312 -7.202 1.00 0.63 N ATOM 2404 CA LYS B 63 21.937 10.182 -8.186 1.00 0.69 C ATOM 2405 C LYS B 63 21.544 9.192 -9.280 1.00 0.71 C ATOM 2406 O LYS B 63 21.812 9.418 -10.460 1.00 0.82 O ATOM 2407 CB LYS B 63 23.241 9.740 -7.518 1.00 0.72 C ATOM 2408 CG LYS B 63 24.442 9.768 -8.455 1.00 0.84 C ATOM 2409 CD LYS B 63 24.983 11.178 -8.644 1.00 1.00 C ATOM 2410 CE LYS B 63 26.008 11.537 -7.582 1.00 1.04 C ATOM 2411 NZ LYS B 63 27.231 10.697 -7.678 1.00 1.28 N ATOM 0 H LYS B 63 20.969 9.704 -6.388 1.00 0.63 H new ATOM 0 HA LYS B 63 22.094 11.159 -8.643 1.00 0.69 H new ATOM 0 HB2 LYS B 63 23.441 10.388 -6.664 1.00 0.72 H new ATOM 0 HB3 LYS B 63 23.117 8.729 -7.129 1.00 0.72 H new ATOM 0 HG2 LYS B 63 25.229 9.128 -8.056 1.00 0.84 H new ATOM 0 HG3 LYS B 63 24.157 9.356 -9.423 1.00 0.84 H new ATOM 0 HD2 LYS B 63 25.437 11.263 -9.631 1.00 1.00 H new ATOM 0 HD3 LYS B 63 24.159 11.891 -8.610 1.00 1.00 H new ATOM 0 HE2 LYS B 63 26.281 12.587 -7.683 1.00 1.04 H new ATOM 0 HE3 LYS B 63 25.563 11.417 -6.594 1.00 1.04 H new ATOM 0 HZ1 LYS B 63 28.033 11.201 -7.249 1.00 1.28 H new ATOM 0 HZ2 LYS B 63 27.077 9.800 -7.175 1.00 1.28 H new ATOM 0 HZ3 LYS B 63 27.440 10.501 -8.678 1.00 1.28 H new ATOM 2425 N ARG B 64 20.894 8.106 -8.883 1.00 0.67 N ATOM 2426 CA ARG B 64 20.481 7.075 -9.829 1.00 0.70 C ATOM 2427 C ARG B 64 19.284 7.520 -10.665 1.00 0.70 C ATOM 2428 O ARG B 64 19.329 7.474 -11.890 1.00 0.75 O ATOM 2429 CB ARG B 64 20.146 5.774 -9.099 1.00 0.70 C ATOM 2430 CG ARG B 64 21.325 5.157 -8.349 1.00 0.72 C ATOM 2431 CD ARG B 64 22.339 4.526 -9.290 1.00 0.81 C ATOM 2432 NE ARG B 64 23.227 5.518 -9.896 1.00 0.84 N ATOM 2433 CZ ARG B 64 24.394 5.908 -9.369 1.00 0.95 C ATOM 2434 NH1 ARG B 64 24.827 5.388 -8.225 1.00 1.05 N ATOM 2435 NH2 ARG B 64 25.131 6.819 -9.990 1.00 1.07 N ATOM 0 H ARG B 64 20.641 7.915 -7.913 1.00 0.67 H new ATOM 0 HA ARG B 64 21.320 6.903 -10.503 1.00 0.70 H new ATOM 0 HB2 ARG B 64 19.339 5.965 -8.391 1.00 0.70 H new ATOM 0 HB3 ARG B 64 19.771 5.050 -9.823 1.00 0.70 H new ATOM 0 HG2 ARG B 64 21.816 5.926 -7.752 1.00 0.72 H new ATOM 0 HG3 ARG B 64 20.956 4.401 -7.655 1.00 0.72 H new ATOM 0 HD2 ARG B 64 22.934 3.796 -8.742 1.00 0.81 H new ATOM 0 HD3 ARG B 64 21.813 3.984 -10.076 1.00 0.81 H new ATOM 0 HE ARG B 64 22.938 5.940 -10.778 1.00 0.84 H new ATOM 0 HH11 ARG B 64 24.269 4.685 -7.741 1.00 1.05 H new ATOM 0 HH12 ARG B 64 25.718 5.692 -7.832 1.00 1.05 H new ATOM 0 HH21 ARG B 64 24.809 7.223 -10.869 1.00 1.07 H new ATOM 0 HH22 ARG B 64 26.020 7.116 -9.588 1.00 1.07 H new ATOM 2449 N PHE B 65 18.221 7.960 -10.003 1.00 0.67 N ATOM 2450 CA PHE B 65 17.019 8.392 -10.704 1.00 0.68 C ATOM 2451 C PHE B 65 17.113 9.850 -11.136 1.00 0.70 C ATOM 2452 O PHE B 65 16.404 10.272 -12.046 1.00 0.75 O ATOM 2453 CB PHE B 65 15.783 8.187 -9.828 1.00 0.66 C ATOM 2454 CG PHE B 65 15.133 6.842 -10.008 1.00 0.68 C ATOM 2455 CD1 PHE B 65 14.740 6.414 -11.267 1.00 0.82 C ATOM 2456 CD2 PHE B 65 14.915 6.006 -8.922 1.00 0.88 C ATOM 2457 CE1 PHE B 65 14.142 5.182 -11.440 1.00 0.97 C ATOM 2458 CE2 PHE B 65 14.317 4.770 -9.090 1.00 1.02 C ATOM 2459 CZ PHE B 65 13.932 4.358 -10.351 1.00 1.00 C ATOM 0 H PHE B 65 18.167 8.027 -8.987 1.00 0.67 H new ATOM 0 HA PHE B 65 16.928 7.779 -11.601 1.00 0.68 H new ATOM 0 HB2 PHE B 65 16.065 8.308 -8.782 1.00 0.66 H new ATOM 0 HB3 PHE B 65 15.055 8.966 -10.054 1.00 0.66 H new ATOM 0 HD1 PHE B 65 14.904 7.052 -12.123 1.00 0.82 H new ATOM 0 HD2 PHE B 65 15.216 6.324 -7.935 1.00 0.88 H new ATOM 0 HE1 PHE B 65 13.838 4.862 -12.426 1.00 0.97 H new ATOM 0 HE2 PHE B 65 14.151 4.128 -8.237 1.00 1.02 H new ATOM 0 HZ PHE B 65 13.467 3.392 -10.486 1.00 1.00 H new ATOM 2469 N LYS B 66 17.990 10.607 -10.479 1.00 0.68 N ATOM 2470 CA LYS B 66 18.183 12.026 -10.787 1.00 0.71 C ATOM 2471 C LYS B 66 16.884 12.815 -10.592 1.00 0.70 C ATOM 2472 O LYS B 66 16.219 13.204 -11.553 1.00 0.83 O ATOM 2473 CB LYS B 66 18.711 12.199 -12.217 1.00 0.79 C ATOM 2474 CG LYS B 66 19.161 13.616 -12.540 1.00 0.93 C ATOM 2475 CD LYS B 66 19.463 13.781 -14.022 1.00 1.05 C ATOM 2476 CE LYS B 66 18.205 13.664 -14.872 1.00 1.07 C ATOM 2477 NZ LYS B 66 18.486 13.893 -16.314 1.00 1.27 N ATOM 0 H LYS B 66 18.583 10.260 -9.725 1.00 0.68 H new ATOM 0 HA LYS B 66 18.924 12.424 -10.094 1.00 0.71 H new ATOM 0 HB2 LYS B 66 19.549 11.518 -12.369 1.00 0.79 H new ATOM 0 HB3 LYS B 66 17.931 11.907 -12.920 1.00 0.79 H new ATOM 0 HG2 LYS B 66 18.384 14.322 -12.245 1.00 0.93 H new ATOM 0 HG3 LYS B 66 20.050 13.858 -11.957 1.00 0.93 H new ATOM 0 HD2 LYS B 66 19.928 14.752 -14.192 1.00 1.05 H new ATOM 0 HD3 LYS B 66 20.183 13.024 -14.333 1.00 1.05 H new ATOM 0 HE2 LYS B 66 17.769 12.674 -14.740 1.00 1.07 H new ATOM 0 HE3 LYS B 66 17.465 14.387 -14.527 1.00 1.07 H new ATOM 0 HZ1 LYS B 66 17.604 13.804 -16.858 1.00 1.27 H new ATOM 0 HZ2 LYS B 66 18.879 14.847 -16.444 1.00 1.27 H new ATOM 0 HZ3 LYS B 66 19.172 13.188 -16.650 1.00 1.27 H new ATOM 2491 N SER B 67 16.523 13.040 -9.340 1.00 0.66 N ATOM 2492 CA SER B 67 15.305 13.773 -9.024 1.00 0.68 C ATOM 2493 C SER B 67 15.560 14.819 -7.937 1.00 0.69 C ATOM 2494 O SER B 67 15.872 15.973 -8.235 1.00 0.90 O ATOM 2495 CB SER B 67 14.201 12.809 -8.583 1.00 0.68 C ATOM 2496 OG SER B 67 13.976 11.796 -9.550 1.00 1.34 O ATOM 0 H SER B 67 17.053 12.727 -8.527 1.00 0.66 H new ATOM 0 HA SER B 67 14.980 14.292 -9.926 1.00 0.68 H new ATOM 0 HB2 SER B 67 14.475 12.351 -7.633 1.00 0.68 H new ATOM 0 HB3 SER B 67 13.278 13.364 -8.415 1.00 0.68 H new ATOM 0 HG SER B 67 13.267 11.197 -9.237 1.00 1.34 H new ATOM 2502 N GLN B 68 15.442 14.404 -6.681 1.00 0.59 N ATOM 2503 CA GLN B 68 15.643 15.290 -5.543 1.00 0.59 C ATOM 2504 C GLN B 68 16.206 14.498 -4.375 1.00 0.54 C ATOM 2505 O GLN B 68 16.277 13.273 -4.434 1.00 0.52 O ATOM 2506 CB GLN B 68 14.318 15.936 -5.128 1.00 0.64 C ATOM 2507 CG GLN B 68 13.992 17.218 -5.877 1.00 0.79 C ATOM 2508 CD GLN B 68 12.539 17.285 -6.303 1.00 0.85 C ATOM 2509 OE1 GLN B 68 11.932 16.270 -6.645 1.00 1.14 O ATOM 2510 NE2 GLN B 68 11.968 18.479 -6.273 1.00 1.09 N ATOM 0 H GLN B 68 15.205 13.446 -6.424 1.00 0.59 H new ATOM 0 HA GLN B 68 16.344 16.074 -5.829 1.00 0.59 H new ATOM 0 HB2 GLN B 68 13.512 15.220 -5.286 1.00 0.64 H new ATOM 0 HB3 GLN B 68 14.349 16.150 -4.060 1.00 0.64 H new ATOM 0 HG2 GLN B 68 14.222 18.074 -5.243 1.00 0.79 H new ATOM 0 HG3 GLN B 68 14.630 17.293 -6.758 1.00 0.79 H new ATOM 0 HE21 GLN B 68 12.507 19.295 -5.983 1.00 1.09 H new ATOM 0 HE22 GLN B 68 10.989 18.583 -6.540 1.00 1.09 H new ATOM 2519 N THR B 69 16.602 15.193 -3.320 1.00 0.56 N ATOM 2520 CA THR B 69 17.145 14.541 -2.139 1.00 0.56 C ATOM 2521 C THR B 69 16.408 15.004 -0.884 1.00 0.54 C ATOM 2522 O THR B 69 15.918 14.189 -0.105 1.00 0.55 O ATOM 2523 CB THR B 69 18.652 14.825 -1.982 1.00 0.63 C ATOM 2524 OG1 THR B 69 19.299 14.745 -3.258 1.00 0.74 O ATOM 2525 CG2 THR B 69 19.295 13.831 -1.023 1.00 0.70 C ATOM 0 H THR B 69 16.557 16.210 -3.258 1.00 0.56 H new ATOM 0 HA THR B 69 17.005 13.468 -2.267 1.00 0.56 H new ATOM 0 HB THR B 69 18.769 15.829 -1.574 1.00 0.63 H new ATOM 0 HG1 THR B 69 20.256 14.928 -3.152 1.00 0.74 H new ATOM 0 HG21 THR B 69 20.358 14.052 -0.929 1.00 0.70 H new ATOM 0 HG22 THR B 69 18.820 13.910 -0.045 1.00 0.70 H new ATOM 0 HG23 THR B 69 19.167 12.819 -1.408 1.00 0.70 H new ATOM 2533 N ASP B 70 16.315 16.316 -0.706 1.00 0.56 N ATOM 2534 CA ASP B 70 15.639 16.883 0.456 1.00 0.58 C ATOM 2535 C ASP B 70 14.128 16.755 0.313 1.00 0.55 C ATOM 2536 O ASP B 70 13.421 16.486 1.283 1.00 0.57 O ATOM 2537 CB ASP B 70 16.022 18.355 0.638 1.00 0.66 C ATOM 2538 CG ASP B 70 15.384 18.965 1.873 1.00 0.76 C ATOM 2539 OD1 ASP B 70 15.853 18.677 2.995 1.00 0.99 O ATOM 2540 OD2 ASP B 70 14.410 19.734 1.726 1.00 0.95 O ATOM 0 H ASP B 70 16.699 17.007 -1.350 1.00 0.56 H new ATOM 0 HA ASP B 70 15.957 16.325 1.337 1.00 0.58 H new ATOM 0 HB2 ASP B 70 17.106 18.440 0.712 1.00 0.66 H new ATOM 0 HB3 ASP B 70 15.717 18.920 -0.243 1.00 0.66 H new ATOM 2545 N GLN B 71 13.642 16.927 -0.908 1.00 0.56 N ATOM 2546 CA GLN B 71 12.213 16.837 -1.178 1.00 0.58 C ATOM 2547 C GLN B 71 11.796 15.405 -1.499 1.00 0.54 C ATOM 2548 O GLN B 71 10.622 15.130 -1.726 1.00 0.66 O ATOM 2549 CB GLN B 71 11.837 17.757 -2.336 1.00 0.65 C ATOM 2550 CG GLN B 71 10.698 18.706 -2.008 1.00 0.83 C ATOM 2551 CD GLN B 71 10.445 19.713 -3.109 1.00 0.92 C ATOM 2552 OE1 GLN B 71 9.609 19.497 -3.990 1.00 1.13 O ATOM 2553 NE2 GLN B 71 11.166 20.821 -3.073 1.00 1.18 N ATOM 0 H GLN B 71 14.215 17.130 -1.727 1.00 0.56 H new ATOM 0 HA GLN B 71 11.684 17.151 -0.278 1.00 0.58 H new ATOM 0 HB2 GLN B 71 12.712 18.338 -2.627 1.00 0.65 H new ATOM 0 HB3 GLN B 71 11.557 17.149 -3.197 1.00 0.65 H new ATOM 0 HG2 GLN B 71 9.790 18.130 -1.831 1.00 0.83 H new ATOM 0 HG3 GLN B 71 10.925 19.235 -1.082 1.00 0.83 H new ATOM 0 HE21 GLN B 71 11.847 20.962 -2.327 1.00 1.18 H new ATOM 0 HE22 GLN B 71 11.041 21.535 -3.791 1.00 1.18 H new ATOM 2562 N LEU B 72 12.763 14.499 -1.509 1.00 0.51 N ATOM 2563 CA LEU B 72 12.500 13.101 -1.812 1.00 0.49 C ATOM 2564 C LEU B 72 12.069 12.356 -0.555 1.00 0.43 C ATOM 2565 O LEU B 72 12.879 12.097 0.337 1.00 0.51 O ATOM 2566 CB LEU B 72 13.748 12.447 -2.408 1.00 0.57 C ATOM 2567 CG LEU B 72 13.479 11.389 -3.474 1.00 0.72 C ATOM 2568 CD1 LEU B 72 13.072 12.045 -4.786 1.00 0.88 C ATOM 2569 CD2 LEU B 72 14.704 10.508 -3.669 1.00 1.00 C ATOM 0 H LEU B 72 13.741 14.709 -1.310 1.00 0.51 H new ATOM 0 HA LEU B 72 11.692 13.050 -2.541 1.00 0.49 H new ATOM 0 HB2 LEU B 72 14.375 13.226 -2.842 1.00 0.57 H new ATOM 0 HB3 LEU B 72 14.320 11.990 -1.601 1.00 0.57 H new ATOM 0 HG LEU B 72 12.655 10.760 -3.138 1.00 0.72 H new ATOM 0 HD11 LEU B 72 12.884 11.275 -5.535 1.00 0.88 H new ATOM 0 HD12 LEU B 72 12.166 12.632 -4.634 1.00 0.88 H new ATOM 0 HD13 LEU B 72 13.874 12.698 -5.130 1.00 0.88 H new ATOM 0 HD21 LEU B 72 14.495 9.759 -4.433 1.00 1.00 H new ATOM 0 HD22 LEU B 72 15.547 11.122 -3.984 1.00 1.00 H new ATOM 0 HD23 LEU B 72 14.948 10.011 -2.730 1.00 1.00 H new ATOM 2581 N VAL B 73 10.792 12.021 -0.481 1.00 0.37 N ATOM 2582 CA VAL B 73 10.259 11.319 0.676 1.00 0.35 C ATOM 2583 C VAL B 73 9.746 9.936 0.297 1.00 0.30 C ATOM 2584 O VAL B 73 8.996 9.783 -0.671 1.00 0.31 O ATOM 2585 CB VAL B 73 9.110 12.113 1.332 1.00 0.42 C ATOM 2586 CG1 VAL B 73 8.637 11.436 2.613 1.00 0.46 C ATOM 2587 CG2 VAL B 73 9.539 13.545 1.608 1.00 0.55 C ATOM 0 H VAL B 73 10.105 12.223 -1.207 1.00 0.37 H new ATOM 0 HA VAL B 73 11.079 11.217 1.386 1.00 0.35 H new ATOM 0 HB VAL B 73 8.273 12.133 0.634 1.00 0.42 H new ATOM 0 HG11 VAL B 73 7.827 12.017 3.054 1.00 0.46 H new ATOM 0 HG12 VAL B 73 8.280 10.432 2.384 1.00 0.46 H new ATOM 0 HG13 VAL B 73 9.465 11.374 3.319 1.00 0.46 H new ATOM 0 HG21 VAL B 73 8.715 14.089 2.071 1.00 0.55 H new ATOM 0 HG22 VAL B 73 10.397 13.545 2.281 1.00 0.55 H new ATOM 0 HG23 VAL B 73 9.813 14.030 0.671 1.00 0.55 H new ATOM 2597 N LEU B 74 10.160 8.930 1.061 1.00 0.30 N ATOM 2598 CA LEU B 74 9.724 7.560 0.831 1.00 0.29 C ATOM 2599 C LEU B 74 8.471 7.312 1.657 1.00 0.28 C ATOM 2600 O LEU B 74 8.289 7.935 2.699 1.00 0.36 O ATOM 2601 CB LEU B 74 10.820 6.550 1.216 1.00 0.33 C ATOM 2602 CG LEU B 74 12.078 6.543 0.333 1.00 0.42 C ATOM 2603 CD1 LEU B 74 11.712 6.685 -1.137 1.00 0.57 C ATOM 2604 CD2 LEU B 74 13.043 7.642 0.751 1.00 0.64 C ATOM 0 H LEU B 74 10.800 9.040 1.848 1.00 0.30 H new ATOM 0 HA LEU B 74 9.515 7.424 -0.230 1.00 0.29 H new ATOM 0 HB2 LEU B 74 11.124 6.750 2.244 1.00 0.33 H new ATOM 0 HB3 LEU B 74 10.385 5.551 1.201 1.00 0.33 H new ATOM 0 HG LEU B 74 12.575 5.583 0.470 1.00 0.42 H new ATOM 0 HD11 LEU B 74 12.620 6.677 -1.740 1.00 0.57 H new ATOM 0 HD12 LEU B 74 11.072 5.855 -1.434 1.00 0.57 H new ATOM 0 HD13 LEU B 74 11.182 7.625 -1.291 1.00 0.57 H new ATOM 0 HD21 LEU B 74 13.925 7.615 0.110 1.00 0.64 H new ATOM 0 HD22 LEU B 74 12.554 8.611 0.655 1.00 0.64 H new ATOM 0 HD23 LEU B 74 13.343 7.488 1.788 1.00 0.64 H new ATOM 2616 N ILE B 75 7.600 6.427 1.194 1.00 0.29 N ATOM 2617 CA ILE B 75 6.359 6.134 1.905 1.00 0.33 C ATOM 2618 C ILE B 75 6.186 4.636 2.119 1.00 0.31 C ATOM 2619 O ILE B 75 6.462 3.844 1.221 1.00 0.36 O ATOM 2620 CB ILE B 75 5.128 6.660 1.130 1.00 0.43 C ATOM 2621 CG1 ILE B 75 5.270 8.155 0.815 1.00 0.47 C ATOM 2622 CG2 ILE B 75 3.854 6.399 1.919 1.00 0.54 C ATOM 2623 CD1 ILE B 75 5.476 9.024 2.036 1.00 0.74 C ATOM 0 H ILE B 75 7.727 5.899 0.331 1.00 0.29 H new ATOM 0 HA ILE B 75 6.427 6.638 2.869 1.00 0.33 H new ATOM 0 HB ILE B 75 5.069 6.122 0.184 1.00 0.43 H new ATOM 0 HG12 ILE B 75 6.111 8.295 0.136 1.00 0.47 H new ATOM 0 HG13 ILE B 75 4.377 8.491 0.289 1.00 0.47 H new ATOM 0 HG21 ILE B 75 2.997 6.775 1.361 1.00 0.54 H new ATOM 0 HG22 ILE B 75 3.740 5.327 2.081 1.00 0.54 H new ATOM 0 HG23 ILE B 75 3.911 6.908 2.881 1.00 0.54 H new ATOM 0 HD11 ILE B 75 5.567 10.066 1.730 1.00 0.74 H new ATOM 0 HD12 ILE B 75 4.624 8.916 2.707 1.00 0.74 H new ATOM 0 HD13 ILE B 75 6.385 8.716 2.552 1.00 0.74 H new ATOM 2635 N PHE B 76 5.721 4.257 3.300 1.00 0.31 N ATOM 2636 CA PHE B 76 5.498 2.853 3.618 1.00 0.35 C ATOM 2637 C PHE B 76 4.043 2.618 4.039 1.00 0.31 C ATOM 2638 O PHE B 76 3.769 2.122 5.135 1.00 0.40 O ATOM 2639 CB PHE B 76 6.472 2.388 4.711 1.00 0.48 C ATOM 2640 CG PHE B 76 6.379 0.918 5.031 1.00 0.55 C ATOM 2641 CD1 PHE B 76 6.300 -0.027 4.019 1.00 0.65 C ATOM 2642 CD2 PHE B 76 6.357 0.489 6.347 1.00 0.62 C ATOM 2643 CE1 PHE B 76 6.204 -1.372 4.317 1.00 0.77 C ATOM 2644 CE2 PHE B 76 6.263 -0.854 6.650 1.00 0.72 C ATOM 2645 CZ PHE B 76 6.184 -1.786 5.634 1.00 0.78 C ATOM 0 H PHE B 76 5.490 4.902 4.055 1.00 0.31 H new ATOM 0 HA PHE B 76 5.687 2.261 2.723 1.00 0.35 H new ATOM 0 HB2 PHE B 76 7.490 2.617 4.397 1.00 0.48 H new ATOM 0 HB3 PHE B 76 6.282 2.960 5.619 1.00 0.48 H new ATOM 0 HD1 PHE B 76 6.314 0.292 2.987 1.00 0.65 H new ATOM 0 HD2 PHE B 76 6.414 1.214 7.146 1.00 0.62 H new ATOM 0 HE1 PHE B 76 6.145 -2.099 3.521 1.00 0.77 H new ATOM 0 HE2 PHE B 76 6.251 -1.176 7.681 1.00 0.72 H new ATOM 0 HZ PHE B 76 6.107 -2.837 5.869 1.00 0.78 H new ATOM 2655 N ALA B 77 3.118 3.011 3.160 1.00 0.40 N ATOM 2656 CA ALA B 77 1.680 2.835 3.380 1.00 0.48 C ATOM 2657 C ALA B 77 1.191 3.490 4.668 1.00 0.41 C ATOM 2658 O ALA B 77 1.132 2.850 5.724 1.00 0.44 O ATOM 2659 CB ALA B 77 1.324 1.356 3.378 1.00 0.62 C ATOM 0 H ALA B 77 3.345 3.461 2.273 1.00 0.40 H new ATOM 0 HA ALA B 77 1.173 3.337 2.556 1.00 0.48 H new ATOM 0 HB1 ALA B 77 0.253 1.239 3.542 1.00 0.62 H new ATOM 0 HB2 ALA B 77 1.593 0.918 2.417 1.00 0.62 H new ATOM 0 HB3 ALA B 77 1.870 0.849 4.173 1.00 0.62 H new ATOM 2665 N GLY B 78 0.836 4.767 4.578 1.00 0.46 N ATOM 2666 CA GLY B 78 0.334 5.485 5.736 1.00 0.54 C ATOM 2667 C GLY B 78 1.424 6.032 6.632 1.00 0.50 C ATOM 2668 O GLY B 78 1.138 6.615 7.677 1.00 0.63 O ATOM 0 H GLY B 78 0.887 5.319 3.722 1.00 0.46 H new ATOM 0 HA2 GLY B 78 -0.294 6.309 5.397 1.00 0.54 H new ATOM 0 HA3 GLY B 78 -0.302 4.818 6.318 1.00 0.54 H new ATOM 2672 N LYS B 79 2.670 5.866 6.223 1.00 0.42 N ATOM 2673 CA LYS B 79 3.795 6.340 7.019 1.00 0.43 C ATOM 2674 C LYS B 79 4.854 6.983 6.134 1.00 0.39 C ATOM 2675 O LYS B 79 5.135 6.494 5.037 1.00 0.43 O ATOM 2676 CB LYS B 79 4.416 5.182 7.801 1.00 0.50 C ATOM 2677 CG LYS B 79 4.309 5.332 9.311 1.00 0.72 C ATOM 2678 CD LYS B 79 2.868 5.214 9.784 1.00 1.16 C ATOM 2679 CE LYS B 79 2.349 6.531 10.334 1.00 1.57 C ATOM 2680 NZ LYS B 79 0.900 6.462 10.661 1.00 2.02 N ATOM 0 H LYS B 79 2.930 5.409 5.349 1.00 0.42 H new ATOM 0 HA LYS B 79 3.421 7.089 7.718 1.00 0.43 H new ATOM 0 HB2 LYS B 79 3.930 4.253 7.502 1.00 0.50 H new ATOM 0 HB3 LYS B 79 5.468 5.094 7.528 1.00 0.50 H new ATOM 0 HG2 LYS B 79 4.916 4.568 9.797 1.00 0.72 H new ATOM 0 HG3 LYS B 79 4.713 6.299 9.611 1.00 0.72 H new ATOM 0 HD2 LYS B 79 2.238 4.892 8.955 1.00 1.16 H new ATOM 0 HD3 LYS B 79 2.799 4.445 10.554 1.00 1.16 H new ATOM 0 HE2 LYS B 79 2.911 6.797 11.229 1.00 1.57 H new ATOM 0 HE3 LYS B 79 2.519 7.322 9.604 1.00 1.57 H new ATOM 0 HZ1 LYS B 79 0.709 7.029 11.511 1.00 2.02 H new ATOM 0 HZ2 LYS B 79 0.346 6.835 9.864 1.00 2.02 H new ATOM 0 HZ3 LYS B 79 0.630 5.473 10.837 1.00 2.02 H new ATOM 2694 N ILE B 80 5.433 8.075 6.620 1.00 0.37 N ATOM 2695 CA ILE B 80 6.472 8.785 5.890 1.00 0.39 C ATOM 2696 C ILE B 80 7.846 8.282 6.304 1.00 0.39 C ATOM 2697 O ILE B 80 8.124 8.113 7.490 1.00 0.61 O ATOM 2698 CB ILE B 80 6.408 10.313 6.117 1.00 0.52 C ATOM 2699 CG1 ILE B 80 6.264 10.634 7.610 1.00 0.67 C ATOM 2700 CG2 ILE B 80 5.264 10.919 5.320 1.00 0.97 C ATOM 2701 CD1 ILE B 80 6.516 12.088 7.946 1.00 1.18 C ATOM 0 H ILE B 80 5.197 8.488 7.522 1.00 0.37 H new ATOM 0 HA ILE B 80 6.302 8.590 4.831 1.00 0.39 H new ATOM 0 HB ILE B 80 7.341 10.754 5.767 1.00 0.52 H new ATOM 0 HG12 ILE B 80 5.259 10.364 7.936 1.00 0.67 H new ATOM 0 HG13 ILE B 80 6.960 10.014 8.175 1.00 0.67 H new ATOM 0 HG21 ILE B 80 5.232 11.995 5.490 1.00 0.97 H new ATOM 0 HG22 ILE B 80 5.417 10.724 4.259 1.00 0.97 H new ATOM 0 HG23 ILE B 80 4.322 10.473 5.639 1.00 0.97 H new ATOM 0 HD11 ILE B 80 6.396 12.240 9.019 1.00 1.18 H new ATOM 0 HD12 ILE B 80 7.530 12.359 7.652 1.00 1.18 H new ATOM 0 HD13 ILE B 80 5.803 12.714 7.409 1.00 1.18 H new ATOM 2713 N LEU B 81 8.687 8.030 5.319 1.00 0.30 N ATOM 2714 CA LEU B 81 10.034 7.544 5.558 1.00 0.34 C ATOM 2715 C LEU B 81 11.048 8.611 5.178 1.00 0.36 C ATOM 2716 O LEU B 81 11.126 9.034 4.019 1.00 0.46 O ATOM 2717 CB LEU B 81 10.285 6.271 4.748 1.00 0.44 C ATOM 2718 CG LEU B 81 10.032 4.948 5.481 1.00 0.57 C ATOM 2719 CD1 LEU B 81 8.616 4.887 6.031 1.00 1.01 C ATOM 2720 CD2 LEU B 81 10.289 3.779 4.544 1.00 0.78 C ATOM 0 H LEU B 81 8.457 8.156 4.333 1.00 0.30 H new ATOM 0 HA LEU B 81 10.143 7.315 6.618 1.00 0.34 H new ATOM 0 HB2 LEU B 81 9.653 6.298 3.860 1.00 0.44 H new ATOM 0 HB3 LEU B 81 11.319 6.281 4.404 1.00 0.44 H new ATOM 0 HG LEU B 81 10.720 4.886 6.324 1.00 0.57 H new ATOM 0 HD11 LEU B 81 8.466 3.938 6.545 1.00 1.01 H new ATOM 0 HD12 LEU B 81 8.462 5.708 6.732 1.00 1.01 H new ATOM 0 HD13 LEU B 81 7.903 4.972 5.211 1.00 1.01 H new ATOM 0 HD21 LEU B 81 10.107 2.843 5.072 1.00 0.78 H new ATOM 0 HD22 LEU B 81 9.621 3.847 3.685 1.00 0.78 H new ATOM 0 HD23 LEU B 81 11.324 3.808 4.202 1.00 0.78 H new ATOM 2732 N LYS B 82 11.813 9.053 6.157 1.00 0.39 N ATOM 2733 CA LYS B 82 12.819 10.073 5.940 1.00 0.47 C ATOM 2734 C LYS B 82 14.040 9.793 6.804 1.00 0.49 C ATOM 2735 O LYS B 82 14.184 8.705 7.357 1.00 0.63 O ATOM 2736 CB LYS B 82 12.249 11.467 6.243 1.00 0.54 C ATOM 2737 CG LYS B 82 11.802 12.222 4.995 1.00 0.94 C ATOM 2738 CD LYS B 82 11.318 13.633 5.308 1.00 1.01 C ATOM 2739 CE LYS B 82 9.914 13.639 5.897 1.00 1.22 C ATOM 2740 NZ LYS B 82 9.292 14.994 5.851 1.00 1.35 N ATOM 0 H LYS B 82 11.755 8.718 7.119 1.00 0.39 H new ATOM 0 HA LYS B 82 13.120 10.051 4.893 1.00 0.47 H new ATOM 0 HB2 LYS B 82 11.401 11.366 6.921 1.00 0.54 H new ATOM 0 HB3 LYS B 82 13.005 12.055 6.764 1.00 0.54 H new ATOM 0 HG2 LYS B 82 12.631 12.274 4.289 1.00 0.94 H new ATOM 0 HG3 LYS B 82 11.002 11.667 4.506 1.00 0.94 H new ATOM 0 HD2 LYS B 82 12.007 14.105 6.009 1.00 1.01 H new ATOM 0 HD3 LYS B 82 11.331 14.231 4.397 1.00 1.01 H new ATOM 0 HE2 LYS B 82 9.288 12.935 5.349 1.00 1.22 H new ATOM 0 HE3 LYS B 82 9.953 13.293 6.930 1.00 1.22 H new ATOM 0 HZ1 LYS B 82 8.338 14.952 6.262 1.00 1.35 H new ATOM 0 HZ2 LYS B 82 9.874 15.662 6.395 1.00 1.35 H new ATOM 0 HZ3 LYS B 82 9.230 15.314 4.863 1.00 1.35 H new ATOM 2754 N ASP B 83 14.911 10.781 6.917 1.00 0.60 N ATOM 2755 CA ASP B 83 16.131 10.660 7.710 1.00 0.68 C ATOM 2756 C ASP B 83 15.835 10.763 9.204 1.00 0.68 C ATOM 2757 O ASP B 83 16.749 10.798 10.030 1.00 0.89 O ATOM 2758 CB ASP B 83 17.137 11.738 7.294 1.00 0.88 C ATOM 2759 CG ASP B 83 16.470 13.050 6.940 1.00 1.20 C ATOM 2760 OD1 ASP B 83 15.753 13.099 5.920 1.00 1.56 O ATOM 2761 OD2 ASP B 83 16.652 14.040 7.676 1.00 1.52 O ATOM 0 H ASP B 83 14.797 11.688 6.465 1.00 0.60 H new ATOM 0 HA ASP B 83 16.561 9.676 7.521 1.00 0.68 H new ATOM 0 HB2 ASP B 83 17.845 11.902 8.106 1.00 0.88 H new ATOM 0 HB3 ASP B 83 17.711 11.383 6.438 1.00 0.88 H new ATOM 2766 N GLN B 84 14.557 10.812 9.543 1.00 0.60 N ATOM 2767 CA GLN B 84 14.133 10.894 10.933 1.00 0.67 C ATOM 2768 C GLN B 84 13.991 9.493 11.519 1.00 0.61 C ATOM 2769 O GLN B 84 14.291 9.261 12.692 1.00 0.81 O ATOM 2770 CB GLN B 84 12.807 11.647 11.043 1.00 0.77 C ATOM 2771 CG GLN B 84 12.877 13.070 10.512 1.00 0.93 C ATOM 2772 CD GLN B 84 11.516 13.728 10.410 1.00 1.13 C ATOM 2773 OE1 GLN B 84 10.610 13.440 11.191 1.00 1.32 O ATOM 2774 NE2 GLN B 84 11.362 14.611 9.441 1.00 1.28 N ATOM 0 H GLN B 84 13.790 10.796 8.871 1.00 0.60 H new ATOM 0 HA GLN B 84 14.890 11.439 11.497 1.00 0.67 H new ATOM 0 HB2 GLN B 84 12.040 11.100 10.495 1.00 0.77 H new ATOM 0 HB3 GLN B 84 12.497 11.671 12.088 1.00 0.77 H new ATOM 0 HG2 GLN B 84 13.515 13.665 11.165 1.00 0.93 H new ATOM 0 HG3 GLN B 84 13.346 13.063 9.528 1.00 0.93 H new ATOM 0 HE21 GLN B 84 12.139 14.821 8.815 1.00 1.28 H new ATOM 0 HE22 GLN B 84 10.466 15.083 9.319 1.00 1.28 H new ATOM 2783 N ASP B 85 13.540 8.564 10.687 1.00 0.52 N ATOM 2784 CA ASP B 85 13.360 7.175 11.092 1.00 0.51 C ATOM 2785 C ASP B 85 14.451 6.314 10.458 1.00 0.44 C ATOM 2786 O ASP B 85 15.548 6.807 10.190 1.00 0.48 O ATOM 2787 CB ASP B 85 11.964 6.681 10.682 1.00 0.61 C ATOM 2788 CG ASP B 85 11.772 6.628 9.178 1.00 0.68 C ATOM 2789 OD1 ASP B 85 11.761 7.700 8.535 1.00 0.76 O ATOM 2790 OD2 ASP B 85 11.639 5.509 8.635 1.00 0.86 O ATOM 0 H ASP B 85 13.289 8.750 9.716 1.00 0.52 H new ATOM 0 HA ASP B 85 13.440 7.099 12.176 1.00 0.51 H new ATOM 0 HB2 ASP B 85 11.799 5.687 11.099 1.00 0.61 H new ATOM 0 HB3 ASP B 85 11.210 7.338 11.116 1.00 0.61 H new ATOM 2795 N THR B 86 14.178 5.033 10.238 1.00 0.49 N ATOM 2796 CA THR B 86 15.155 4.143 9.624 1.00 0.47 C ATOM 2797 C THR B 86 14.469 3.071 8.775 1.00 0.42 C ATOM 2798 O THR B 86 13.653 2.293 9.273 1.00 0.41 O ATOM 2799 CB THR B 86 16.051 3.466 10.677 1.00 0.54 C ATOM 2800 OG1 THR B 86 16.490 4.428 11.647 1.00 0.67 O ATOM 2801 CG2 THR B 86 17.265 2.824 10.022 1.00 0.67 C ATOM 0 H THR B 86 13.291 4.589 10.475 1.00 0.49 H new ATOM 0 HA THR B 86 15.782 4.761 8.981 1.00 0.47 H new ATOM 0 HB THR B 86 15.464 2.692 11.170 1.00 0.54 H new ATOM 0 HG1 THR B 86 17.058 3.986 12.312 1.00 0.67 H new ATOM 0 HG21 THR B 86 17.883 2.352 10.786 1.00 0.67 H new ATOM 0 HG22 THR B 86 16.936 2.072 9.305 1.00 0.67 H new ATOM 0 HG23 THR B 86 17.846 3.588 9.506 1.00 0.67 H new ATOM 2809 N LEU B 87 14.819 3.044 7.491 1.00 0.43 N ATOM 2810 CA LEU B 87 14.256 2.094 6.531 1.00 0.42 C ATOM 2811 C LEU B 87 14.425 0.645 6.982 1.00 0.42 C ATOM 2812 O LEU B 87 13.467 -0.126 6.988 1.00 0.44 O ATOM 2813 CB LEU B 87 14.935 2.278 5.175 1.00 0.51 C ATOM 2814 CG LEU B 87 14.448 1.345 4.063 1.00 0.52 C ATOM 2815 CD1 LEU B 87 13.415 2.039 3.191 1.00 0.61 C ATOM 2816 CD2 LEU B 87 15.616 0.872 3.215 1.00 0.66 C ATOM 0 H LEU B 87 15.503 3.682 7.085 1.00 0.43 H new ATOM 0 HA LEU B 87 13.188 2.298 6.458 1.00 0.42 H new ATOM 0 HB2 LEU B 87 14.788 3.308 4.851 1.00 0.51 H new ATOM 0 HB3 LEU B 87 16.008 2.134 5.303 1.00 0.51 H new ATOM 0 HG LEU B 87 13.980 0.478 4.529 1.00 0.52 H new ATOM 0 HD11 LEU B 87 13.083 1.357 2.408 1.00 0.61 H new ATOM 0 HD12 LEU B 87 12.561 2.333 3.802 1.00 0.61 H new ATOM 0 HD13 LEU B 87 13.858 2.925 2.737 1.00 0.61 H new ATOM 0 HD21 LEU B 87 15.251 0.210 2.430 1.00 0.66 H new ATOM 0 HD22 LEU B 87 16.110 1.732 2.764 1.00 0.66 H new ATOM 0 HD23 LEU B 87 16.327 0.334 3.842 1.00 0.66 H new ATOM 2828 N ILE B 88 15.643 0.286 7.370 1.00 0.47 N ATOM 2829 CA ILE B 88 15.949 -1.078 7.797 1.00 0.53 C ATOM 2830 C ILE B 88 15.350 -1.411 9.166 1.00 0.54 C ATOM 2831 O ILE B 88 15.543 -2.511 9.677 1.00 0.66 O ATOM 2832 CB ILE B 88 17.475 -1.318 7.853 1.00 0.62 C ATOM 2833 CG1 ILE B 88 18.120 -0.419 8.914 1.00 0.65 C ATOM 2834 CG2 ILE B 88 18.108 -1.067 6.490 1.00 0.67 C ATOM 2835 CD1 ILE B 88 18.899 -1.181 9.962 1.00 0.91 C ATOM 0 H ILE B 88 16.440 0.922 7.398 1.00 0.47 H new ATOM 0 HA ILE B 88 15.497 -1.733 7.051 1.00 0.53 H new ATOM 0 HB ILE B 88 17.648 -2.359 8.127 1.00 0.62 H new ATOM 0 HG12 ILE B 88 18.787 0.289 8.422 1.00 0.65 H new ATOM 0 HG13 ILE B 88 17.342 0.165 9.405 1.00 0.65 H new ATOM 0 HG21 ILE B 88 19.182 -1.241 6.550 1.00 0.67 H new ATOM 0 HG22 ILE B 88 17.671 -1.744 5.756 1.00 0.67 H new ATOM 0 HG23 ILE B 88 17.924 -0.036 6.188 1.00 0.67 H new ATOM 0 HD11 ILE B 88 19.327 -0.480 10.679 1.00 0.91 H new ATOM 0 HD12 ILE B 88 18.233 -1.870 10.481 1.00 0.91 H new ATOM 0 HD13 ILE B 88 19.700 -1.743 9.482 1.00 0.91 H new ATOM 2847 N GLN B 89 14.627 -0.471 9.757 1.00 0.48 N ATOM 2848 CA GLN B 89 14.032 -0.694 11.067 1.00 0.53 C ATOM 2849 C GLN B 89 12.550 -1.039 10.961 1.00 0.52 C ATOM 2850 O GLN B 89 12.052 -1.887 11.699 1.00 0.71 O ATOM 2851 CB GLN B 89 14.219 0.540 11.949 1.00 0.57 C ATOM 2852 CG GLN B 89 13.800 0.330 13.394 1.00 0.69 C ATOM 2853 CD GLN B 89 14.642 -0.720 14.094 1.00 0.82 C ATOM 2854 OE1 GLN B 89 15.688 -0.413 14.667 1.00 0.96 O ATOM 2855 NE2 GLN B 89 14.193 -1.966 14.050 1.00 0.89 N ATOM 0 H GLN B 89 14.439 0.447 9.354 1.00 0.48 H new ATOM 0 HA GLN B 89 14.542 -1.544 11.521 1.00 0.53 H new ATOM 0 HB2 GLN B 89 15.267 0.837 11.924 1.00 0.57 H new ATOM 0 HB3 GLN B 89 13.643 1.365 11.530 1.00 0.57 H new ATOM 0 HG2 GLN B 89 13.879 1.274 13.933 1.00 0.69 H new ATOM 0 HG3 GLN B 89 12.752 0.032 13.426 1.00 0.69 H new ATOM 0 HE21 GLN B 89 13.321 -2.177 13.564 1.00 0.89 H new ATOM 0 HE22 GLN B 89 14.719 -2.714 14.502 1.00 0.89 H new ATOM 2864 N HIS B 90 11.848 -0.395 10.038 1.00 0.49 N ATOM 2865 CA HIS B 90 10.418 -0.637 9.874 1.00 0.51 C ATOM 2866 C HIS B 90 10.007 -0.628 8.406 1.00 0.50 C ATOM 2867 O HIS B 90 9.215 -1.466 7.981 1.00 0.75 O ATOM 2868 CB HIS B 90 9.622 0.419 10.656 1.00 0.59 C ATOM 2869 CG HIS B 90 8.135 0.367 10.458 1.00 0.72 C ATOM 2870 ND1 HIS B 90 7.383 1.483 10.160 1.00 0.96 N ATOM 2871 CD2 HIS B 90 7.259 -0.664 10.529 1.00 0.92 C ATOM 2872 CE1 HIS B 90 6.112 1.144 10.059 1.00 1.14 C ATOM 2873 NE2 HIS B 90 6.009 -0.152 10.279 1.00 1.10 N ATOM 0 H HIS B 90 12.240 0.294 9.396 1.00 0.49 H new ATOM 0 HA HIS B 90 10.196 -1.629 10.268 1.00 0.51 H new ATOM 0 HB2 HIS B 90 9.836 0.301 11.718 1.00 0.59 H new ATOM 0 HB3 HIS B 90 9.978 1.408 10.367 1.00 0.59 H new ATOM 0 HD2 HIS B 90 7.499 -1.695 10.742 1.00 0.92 H new ATOM 0 HE1 HIS B 90 5.295 1.814 9.834 1.00 1.14 H new ATOM 0 HE2 HIS B 90 5.141 -0.688 10.266 1.00 1.10 H new ATOM 2882 N GLY B 91 10.541 0.327 7.652 1.00 0.45 N ATOM 2883 CA GLY B 91 10.216 0.459 6.241 1.00 0.46 C ATOM 2884 C GLY B 91 10.365 -0.829 5.452 1.00 0.45 C ATOM 2885 O GLY B 91 9.380 -1.374 4.953 1.00 0.64 O ATOM 0 H GLY B 91 11.203 1.022 7.998 1.00 0.45 H new ATOM 0 HA2 GLY B 91 9.190 0.815 6.146 1.00 0.46 H new ATOM 0 HA3 GLY B 91 10.859 1.220 5.800 1.00 0.46 H new ATOM 2889 N ILE B 92 11.585 -1.323 5.337 1.00 0.38 N ATOM 2890 CA ILE B 92 11.832 -2.543 4.591 1.00 0.39 C ATOM 2891 C ILE B 92 12.346 -3.639 5.509 1.00 0.41 C ATOM 2892 O ILE B 92 13.491 -3.609 5.956 1.00 0.46 O ATOM 2893 CB ILE B 92 12.835 -2.315 3.436 1.00 0.41 C ATOM 2894 CG1 ILE B 92 12.299 -1.257 2.465 1.00 0.40 C ATOM 2895 CG2 ILE B 92 13.118 -3.622 2.702 1.00 0.47 C ATOM 2896 CD1 ILE B 92 11.036 -1.669 1.739 1.00 0.43 C ATOM 0 H ILE B 92 12.417 -0.900 5.749 1.00 0.38 H new ATOM 0 HA ILE B 92 10.881 -2.854 4.158 1.00 0.39 H new ATOM 0 HB ILE B 92 13.772 -1.953 3.860 1.00 0.41 H new ATOM 0 HG12 ILE B 92 12.105 -0.338 3.017 1.00 0.40 H new ATOM 0 HG13 ILE B 92 13.071 -1.030 1.729 1.00 0.40 H new ATOM 0 HG21 ILE B 92 13.826 -3.439 1.893 1.00 0.47 H new ATOM 0 HG22 ILE B 92 13.541 -4.346 3.398 1.00 0.47 H new ATOM 0 HG23 ILE B 92 12.189 -4.016 2.289 1.00 0.47 H new ATOM 0 HD11 ILE B 92 10.722 -0.866 1.072 1.00 0.43 H new ATOM 0 HD12 ILE B 92 11.228 -2.570 1.157 1.00 0.43 H new ATOM 0 HD13 ILE B 92 10.247 -1.867 2.465 1.00 0.43 H new ATOM 2908 N HIS B 93 11.476 -4.588 5.815 1.00 0.46 N ATOM 2909 CA HIS B 93 11.845 -5.708 6.662 1.00 0.52 C ATOM 2910 C HIS B 93 12.457 -6.810 5.815 1.00 0.54 C ATOM 2911 O HIS B 93 13.524 -7.335 6.138 1.00 0.66 O ATOM 2912 CB HIS B 93 10.633 -6.257 7.421 1.00 0.58 C ATOM 2913 CG HIS B 93 10.382 -5.588 8.737 1.00 0.65 C ATOM 2914 ND1 HIS B 93 11.389 -5.147 9.570 1.00 1.25 N ATOM 2915 CD2 HIS B 93 9.219 -5.284 9.366 1.00 1.25 C ATOM 2916 CE1 HIS B 93 10.857 -4.604 10.650 1.00 1.14 C ATOM 2917 NE2 HIS B 93 9.545 -4.677 10.550 1.00 1.10 N ATOM 0 H HIS B 93 10.510 -4.604 5.489 1.00 0.46 H new ATOM 0 HA HIS B 93 12.572 -5.354 7.393 1.00 0.52 H new ATOM 0 HB2 HIS B 93 9.747 -6.149 6.796 1.00 0.58 H new ATOM 0 HB3 HIS B 93 10.776 -7.324 7.589 1.00 0.58 H new ATOM 0 HD2 HIS B 93 8.222 -5.483 9.001 1.00 1.25 H new ATOM 0 HE1 HIS B 93 11.404 -4.173 11.475 1.00 1.14 H new ATOM 0 HE2 HIS B 93 8.879 -4.336 11.243 1.00 1.10 H new ATOM 2926 N ASP B 94 11.774 -7.143 4.723 1.00 0.58 N ATOM 2927 CA ASP B 94 12.237 -8.182 3.811 1.00 0.63 C ATOM 2928 C ASP B 94 11.405 -8.189 2.529 1.00 0.78 C ATOM 2929 O ASP B 94 10.390 -8.882 2.438 1.00 1.65 O ATOM 2930 CB ASP B 94 12.166 -9.554 4.480 1.00 0.67 C ATOM 2931 CG ASP B 94 12.620 -10.666 3.560 1.00 0.79 C ATOM 2932 OD1 ASP B 94 13.808 -10.675 3.170 1.00 0.92 O ATOM 2933 OD2 ASP B 94 11.792 -11.546 3.232 1.00 1.08 O ATOM 0 H ASP B 94 10.894 -6.706 4.448 1.00 0.58 H new ATOM 0 HA ASP B 94 13.274 -7.965 3.555 1.00 0.63 H new ATOM 0 HB2 ASP B 94 12.786 -9.551 5.376 1.00 0.67 H new ATOM 0 HB3 ASP B 94 11.142 -9.746 4.801 1.00 0.67 H new ATOM 2938 N GLY B 95 11.832 -7.400 1.550 1.00 0.57 N ATOM 2939 CA GLY B 95 11.131 -7.327 0.277 1.00 0.52 C ATOM 2940 C GLY B 95 9.751 -6.708 0.392 1.00 0.46 C ATOM 2941 O GLY B 95 8.745 -7.417 0.420 1.00 0.53 O ATOM 0 H GLY B 95 12.657 -6.804 1.614 1.00 0.57 H new ATOM 0 HA2 GLY B 95 11.726 -6.744 -0.426 1.00 0.52 H new ATOM 0 HA3 GLY B 95 11.039 -8.331 -0.138 1.00 0.52 H new ATOM 2945 N LEU B 96 9.702 -5.389 0.456 1.00 0.41 N ATOM 2946 CA LEU B 96 8.437 -4.676 0.557 1.00 0.40 C ATOM 2947 C LEU B 96 8.397 -3.531 -0.446 1.00 0.37 C ATOM 2948 O LEU B 96 9.439 -3.106 -0.955 1.00 0.41 O ATOM 2949 CB LEU B 96 8.222 -4.147 1.982 1.00 0.44 C ATOM 2950 CG LEU B 96 8.053 -5.224 3.059 1.00 0.53 C ATOM 2951 CD1 LEU B 96 8.150 -4.614 4.447 1.00 0.58 C ATOM 2952 CD2 LEU B 96 6.721 -5.941 2.888 1.00 0.70 C ATOM 0 H LEU B 96 10.525 -4.787 0.440 1.00 0.41 H new ATOM 0 HA LEU B 96 7.630 -5.372 0.327 1.00 0.40 H new ATOM 0 HB2 LEU B 96 9.070 -3.517 2.250 1.00 0.44 H new ATOM 0 HB3 LEU B 96 7.338 -3.510 1.986 1.00 0.44 H new ATOM 0 HG LEU B 96 8.857 -5.951 2.946 1.00 0.53 H new ATOM 0 HD11 LEU B 96 8.027 -5.395 5.197 1.00 0.58 H new ATOM 0 HD12 LEU B 96 9.125 -4.143 4.570 1.00 0.58 H new ATOM 0 HD13 LEU B 96 7.367 -3.866 4.571 1.00 0.58 H new ATOM 0 HD21 LEU B 96 6.616 -6.703 3.660 1.00 0.70 H new ATOM 0 HD22 LEU B 96 5.907 -5.222 2.975 1.00 0.70 H new ATOM 0 HD23 LEU B 96 6.685 -6.413 1.906 1.00 0.70 H new ATOM 2964 N THR B 97 7.199 -3.045 -0.730 1.00 0.39 N ATOM 2965 CA THR B 97 7.023 -1.956 -1.674 1.00 0.39 C ATOM 2966 C THR B 97 6.846 -0.618 -0.965 1.00 0.37 C ATOM 2967 O THR B 97 6.079 -0.507 -0.010 1.00 0.46 O ATOM 2968 CB THR B 97 5.805 -2.213 -2.580 1.00 0.46 C ATOM 2969 OG1 THR B 97 4.890 -3.126 -1.945 1.00 0.83 O ATOM 2970 CG2 THR B 97 6.244 -2.775 -3.922 1.00 0.78 C ATOM 0 H THR B 97 6.332 -3.390 -0.318 1.00 0.39 H new ATOM 0 HA THR B 97 7.928 -1.911 -2.280 1.00 0.39 H new ATOM 0 HB THR B 97 5.300 -1.262 -2.746 1.00 0.46 H new ATOM 0 HG1 THR B 97 4.120 -3.278 -2.532 1.00 0.83 H new ATOM 0 HG21 THR B 97 5.368 -2.950 -4.547 1.00 0.78 H new ATOM 0 HG22 THR B 97 6.906 -2.064 -4.415 1.00 0.78 H new ATOM 0 HG23 THR B 97 6.773 -3.716 -3.767 1.00 0.78 H new ATOM 2978 N VAL B 98 7.578 0.388 -1.427 1.00 0.33 N ATOM 2979 CA VAL B 98 7.490 1.726 -0.857 1.00 0.31 C ATOM 2980 C VAL B 98 7.187 2.740 -1.953 1.00 0.30 C ATOM 2981 O VAL B 98 7.456 2.490 -3.128 1.00 0.36 O ATOM 2982 CB VAL B 98 8.787 2.138 -0.123 1.00 0.31 C ATOM 2983 CG1 VAL B 98 8.893 1.429 1.219 1.00 0.37 C ATOM 2984 CG2 VAL B 98 10.014 1.855 -0.980 1.00 0.34 C ATOM 0 H VAL B 98 8.241 0.302 -2.197 1.00 0.33 H new ATOM 0 HA VAL B 98 6.683 1.710 -0.124 1.00 0.31 H new ATOM 0 HB VAL B 98 8.744 3.212 0.059 1.00 0.31 H new ATOM 0 HG11 VAL B 98 9.813 1.733 1.719 1.00 0.37 H new ATOM 0 HG12 VAL B 98 8.037 1.695 1.840 1.00 0.37 H new ATOM 0 HG13 VAL B 98 8.905 0.351 1.061 1.00 0.37 H new ATOM 0 HG21 VAL B 98 10.912 2.154 -0.440 1.00 0.34 H new ATOM 0 HG22 VAL B 98 10.063 0.789 -1.204 1.00 0.34 H new ATOM 0 HG23 VAL B 98 9.946 2.419 -1.910 1.00 0.34 H new ATOM 2994 N HIS B 99 6.617 3.875 -1.575 1.00 0.29 N ATOM 2995 CA HIS B 99 6.285 4.914 -2.545 1.00 0.31 C ATOM 2996 C HIS B 99 7.267 6.065 -2.447 1.00 0.30 C ATOM 2997 O HIS B 99 8.023 6.163 -1.484 1.00 0.47 O ATOM 2998 CB HIS B 99 4.863 5.438 -2.327 1.00 0.38 C ATOM 2999 CG HIS B 99 4.063 5.516 -3.588 1.00 0.47 C ATOM 3000 ND1 HIS B 99 3.445 4.424 -4.135 1.00 0.68 N ATOM 3001 CD2 HIS B 99 3.790 6.557 -4.417 1.00 0.71 C ATOM 3002 CE1 HIS B 99 2.833 4.772 -5.246 1.00 0.81 C ATOM 3003 NE2 HIS B 99 3.020 6.064 -5.439 1.00 0.81 N ATOM 0 H HIS B 99 6.375 4.101 -0.610 1.00 0.29 H new ATOM 0 HA HIS B 99 6.346 4.470 -3.539 1.00 0.31 H new ATOM 0 HB2 HIS B 99 4.349 4.789 -1.618 1.00 0.38 H new ATOM 0 HB3 HIS B 99 4.913 6.428 -1.875 1.00 0.38 H new ATOM 0 HD1 HIS B 99 3.457 3.483 -3.741 1.00 0.68 H new ATOM 0 HD2 HIS B 99 4.117 7.579 -4.294 1.00 0.71 H new ATOM 0 HE1 HIS B 99 2.272 4.112 -5.891 1.00 0.81 H new ATOM 3012 N LEU B 100 7.271 6.918 -3.458 1.00 0.31 N ATOM 3013 CA LEU B 100 8.145 8.074 -3.480 1.00 0.32 C ATOM 3014 C LEU B 100 7.338 9.321 -3.806 1.00 0.32 C ATOM 3015 O LEU B 100 6.691 9.393 -4.854 1.00 0.40 O ATOM 3016 CB LEU B 100 9.265 7.873 -4.508 1.00 0.37 C ATOM 3017 CG LEU B 100 10.368 8.935 -4.491 1.00 0.50 C ATOM 3018 CD1 LEU B 100 11.716 8.299 -4.789 1.00 0.85 C ATOM 3019 CD2 LEU B 100 10.064 10.038 -5.497 1.00 0.91 C ATOM 0 H LEU B 100 6.673 6.828 -4.279 1.00 0.31 H new ATOM 0 HA LEU B 100 8.601 8.197 -2.497 1.00 0.32 H new ATOM 0 HB2 LEU B 100 9.720 6.897 -4.338 1.00 0.37 H new ATOM 0 HB3 LEU B 100 8.822 7.849 -5.504 1.00 0.37 H new ATOM 0 HG LEU B 100 10.406 9.380 -3.497 1.00 0.50 H new ATOM 0 HD11 LEU B 100 12.491 9.065 -4.774 1.00 0.85 H new ATOM 0 HD12 LEU B 100 11.937 7.544 -4.034 1.00 0.85 H new ATOM 0 HD13 LEU B 100 11.688 7.831 -5.773 1.00 0.85 H new ATOM 0 HD21 LEU B 100 10.859 10.784 -5.471 1.00 0.91 H new ATOM 0 HD22 LEU B 100 10.001 9.610 -6.498 1.00 0.91 H new ATOM 0 HD23 LEU B 100 9.115 10.510 -5.243 1.00 0.91 H new ATOM 3031 N VAL B 101 7.358 10.288 -2.904 1.00 0.30 N ATOM 3032 CA VAL B 101 6.627 11.532 -3.104 1.00 0.32 C ATOM 3033 C VAL B 101 7.524 12.732 -2.839 1.00 0.33 C ATOM 3034 O VAL B 101 8.641 12.583 -2.339 1.00 0.38 O ATOM 3035 CB VAL B 101 5.376 11.629 -2.201 1.00 0.39 C ATOM 3036 CG1 VAL B 101 4.337 10.594 -2.603 1.00 0.50 C ATOM 3037 CG2 VAL B 101 5.752 11.468 -0.736 1.00 0.52 C ATOM 0 H VAL B 101 7.872 10.237 -2.025 1.00 0.30 H new ATOM 0 HA VAL B 101 6.299 11.535 -4.144 1.00 0.32 H new ATOM 0 HB VAL B 101 4.941 12.619 -2.335 1.00 0.39 H new ATOM 0 HG11 VAL B 101 3.466 10.682 -1.954 1.00 0.50 H new ATOM 0 HG12 VAL B 101 4.037 10.762 -3.637 1.00 0.50 H new ATOM 0 HG13 VAL B 101 4.762 9.595 -2.507 1.00 0.50 H new ATOM 0 HG21 VAL B 101 4.855 11.540 -0.120 1.00 0.52 H new ATOM 0 HG22 VAL B 101 6.219 10.495 -0.585 1.00 0.52 H new ATOM 0 HG23 VAL B 101 6.452 12.254 -0.451 1.00 0.52 H new ATOM 3047 N ILE B 102 7.028 13.916 -3.171 1.00 0.36 N ATOM 3048 CA ILE B 102 7.782 15.148 -2.979 1.00 0.41 C ATOM 3049 C ILE B 102 6.912 16.214 -2.320 1.00 0.51 C ATOM 3050 O ILE B 102 6.768 17.323 -2.834 1.00 0.79 O ATOM 3051 CB ILE B 102 8.335 15.688 -4.321 1.00 0.52 C ATOM 3052 CG1 ILE B 102 7.255 15.630 -5.407 1.00 0.71 C ATOM 3053 CG2 ILE B 102 9.565 14.894 -4.743 1.00 0.76 C ATOM 3054 CD1 ILE B 102 7.703 16.163 -6.751 1.00 1.32 C ATOM 0 H ILE B 102 6.102 14.050 -3.577 1.00 0.36 H new ATOM 0 HA ILE B 102 8.624 14.915 -2.327 1.00 0.41 H new ATOM 0 HB ILE B 102 8.627 16.729 -4.185 1.00 0.52 H new ATOM 0 HG12 ILE B 102 6.931 14.596 -5.528 1.00 0.71 H new ATOM 0 HG13 ILE B 102 6.388 16.199 -5.073 1.00 0.71 H new ATOM 0 HG21 ILE B 102 9.943 15.284 -5.688 1.00 0.76 H new ATOM 0 HG22 ILE B 102 10.336 14.984 -3.978 1.00 0.76 H new ATOM 0 HG23 ILE B 102 9.296 13.845 -4.865 1.00 0.76 H new ATOM 0 HD11 ILE B 102 6.882 16.087 -7.464 1.00 1.32 H new ATOM 0 HD12 ILE B 102 7.999 17.207 -6.648 1.00 1.32 H new ATOM 0 HD13 ILE B 102 8.551 15.579 -7.110 1.00 1.32 H new ATOM 3066 N LYS B 103 6.326 15.870 -1.180 1.00 0.59 N ATOM 3067 CA LYS B 103 5.466 16.792 -0.452 1.00 0.76 C ATOM 3068 C LYS B 103 6.130 17.231 0.848 1.00 0.91 C ATOM 3069 O LYS B 103 6.279 16.385 1.759 1.00 1.07 O ATOM 3070 CB LYS B 103 4.107 16.146 -0.165 1.00 0.86 C ATOM 3071 CG LYS B 103 3.237 15.979 -1.400 1.00 1.00 C ATOM 3072 CD LYS B 103 1.858 15.446 -1.047 1.00 1.15 C ATOM 3073 CE LYS B 103 0.949 15.400 -2.264 1.00 1.32 C ATOM 3074 NZ LYS B 103 -0.453 15.046 -1.903 1.00 1.74 N ATOM 3075 OXT LYS B 103 6.508 18.419 0.953 1.00 1.20 O ATOM 0 H LYS B 103 6.432 14.956 -0.739 1.00 0.59 H new ATOM 0 HA LYS B 103 5.306 17.674 -1.073 1.00 0.76 H new ATOM 0 HB2 LYS B 103 4.268 15.169 0.290 1.00 0.86 H new ATOM 0 HB3 LYS B 103 3.573 16.754 0.565 1.00 0.86 H new ATOM 0 HG2 LYS B 103 3.138 16.938 -1.908 1.00 1.00 H new ATOM 0 HG3 LYS B 103 3.723 15.298 -2.098 1.00 1.00 H new ATOM 0 HD2 LYS B 103 1.951 14.446 -0.623 1.00 1.15 H new ATOM 0 HD3 LYS B 103 1.409 16.077 -0.280 1.00 1.15 H new ATOM 0 HE2 LYS B 103 0.961 16.370 -2.762 1.00 1.32 H new ATOM 0 HE3 LYS B 103 1.335 14.671 -2.977 1.00 1.32 H new ATOM 0 HZ1 LYS B 103 -1.096 15.362 -2.657 1.00 1.74 H new ATOM 0 HZ2 LYS B 103 -0.533 14.015 -1.790 1.00 1.74 H new ATOM 0 HZ3 LYS B 103 -0.710 15.513 -1.010 1.00 1.74 H new TER 3089 LYS B 103