USER MOD reduce.3.24.130724 H: found=0, std=0, add=1554, rem=0, adj=41 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 59:sc= 0.481 USER MOD Set 1.2: B 69 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 52 THR OG1 : rot 180:sc= 0.0667 USER MOD Set 2.2: A 58 HIS : no HE2:sc= 1.06 K(o=1.1,f=-5.1!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 151:sc= 2.53 (180deg=2.38) USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) 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 -31:sc= 0.505 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -160:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 165:sc= -0.0381 (180deg=-0.259) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= -0.0135 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 51 GLN : amide:sc= -0.0956 K(o=-0.096,f=-1.3!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot -101:sc= 0.0999 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0.00686 USER MOD Single : A 68 ASN : amide:sc= -0.091 K(o=-0.091,f=-1!) USER MOD Single : A 80 CYS SG : rot 103:sc= -2.72! USER MOD Single : A 83 LYS NZ :NH3+ 165:sc= 1.27 (180deg=1.14) USER MOD Single : A 87 GLN : amide:sc= -0.247 X(o=-0.25,f=-0.47) USER MOD Single : A 88 CYS SG : rot 17:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0.139 USER MOD Single : A 94 TYR OH : rot -154:sc= 0.529 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ -170:sc= 0.0019 (180deg=0) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 155:sc= -0.159 (180deg=-0.654) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= -0.0534 K(o=-0.053,f=-7.7!) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.0442 USER MOD Single : A 116 GLN : amide:sc= -0.041 X(o=-0.041,f=-0.078) USER MOD Single : A 120 HIS : no HD1:sc= -0.361 K(o=-0.36,f=-1.3) USER MOD Single : A 121 CYS SG : rot 44:sc= 1.02 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 ASN : amide:sc= 1.41 K(o=1.4,f=-6.6!) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 ASN : amide:sc= 0.193 X(o=0.19,f=0) 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+ 173:sc= 0 (180deg=-0.06) USER MOD Single : B 36 THR OG1 : rot 180:sc= 0 USER MOD Single : B 38 LYS NZ :NH3+ 137:sc= 2.36 (180deg=1.1) USER MOD Single : B 39 THR OG1 : rot 6:sc= 0.974 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= -0.42 K(o=-0.42,f=-8.2!) USER MOD Single : B 52 SER OG : rot 8:sc= -1.89! USER MOD Single : B 53 SER OG : rot 180:sc= 0 USER MOD Single : B 55 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : B 56 GLN : amide:sc= -0.171 X(o=-0.17,f=-0.079) USER MOD Single : B 58 LYS NZ :NH3+ -174:sc= 1.23 (180deg=1.16) USER MOD Single : B 63 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0348) USER MOD Single : B 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 67 SER OG : rot 180:sc= 0.0455 USER MOD Single : B 68 GLN : amide:sc= -0.0255 K(o=-0.026,f=-1.4) USER MOD Single : B 71 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : B 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 82 LYS NZ :NH3+ 147:sc= 0.265 (180deg=0.0193) USER MOD Single : B 84 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : B 86 THR OG1 : rot 180:sc= 0 USER MOD Single : B 89 GLN : amide:sc= -0.0371 X(o=-0.037,f=-0.048) USER MOD Single : B 90 HIS : no HD1:sc=-0.000572 X(o=-0.00057,f=0) USER MOD Single : B 93 HIS : no HD1:sc= 0.169 K(o=0.17,f=-0.7) USER MOD Single : B 97 THR OG1 : rot 136:sc= 0.0283 USER MOD Single : B 99 HIS : no HE2:sc= -2.62! C(o=-1.1!,f=-8.1!) USER MOD Single : B 103 LYS NZ :NH3+ -150:sc= 1.03 (180deg=-0.428) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 21 -12.148 21.532 8.322 1.00 0.79 N ATOM 2 CA LYS A 21 -13.250 20.565 8.114 1.00 0.63 C ATOM 3 C LYS A 21 -12.731 19.341 7.375 1.00 0.53 C ATOM 4 O LYS A 21 -11.541 19.252 7.079 1.00 0.61 O ATOM 5 CB LYS A 21 -14.399 21.213 7.335 1.00 0.62 C ATOM 6 CG LYS A 21 -14.017 21.666 5.937 1.00 0.66 C ATOM 7 CD LYS A 21 -15.214 22.203 5.170 1.00 0.77 C ATOM 8 CE LYS A 21 -15.837 23.401 5.869 1.00 0.90 C ATOM 9 NZ LYS A 21 -16.787 24.126 4.987 1.00 1.10 N ATOM 0 HA LYS A 21 -13.632 20.256 9.087 1.00 0.63 H new ATOM 0 HB2 LYS A 21 -15.222 20.502 7.264 1.00 0.62 H new ATOM 0 HB3 LYS A 21 -14.767 22.072 7.897 1.00 0.62 H new ATOM 0 HG2 LYS A 21 -13.251 22.439 6.002 1.00 0.66 H new ATOM 0 HG3 LYS A 21 -13.581 20.830 5.391 1.00 0.66 H new ATOM 0 HD2 LYS A 21 -14.904 22.489 4.165 1.00 0.77 H new ATOM 0 HD3 LYS A 21 -15.960 21.416 5.062 1.00 0.77 H new ATOM 0 HE2 LYS A 21 -16.358 23.067 6.766 1.00 0.90 H new ATOM 0 HE3 LYS A 21 -15.050 24.082 6.192 1.00 0.90 H new ATOM 0 HZ1 LYS A 21 -17.189 24.935 5.501 1.00 1.10 H new ATOM 0 HZ2 LYS A 21 -16.285 24.467 4.142 1.00 1.10 H new ATOM 0 HZ3 LYS A 21 -17.552 23.484 4.699 1.00 1.10 H new ATOM 23 N TYR A 22 -13.618 18.403 7.079 1.00 0.49 N ATOM 24 CA TYR A 22 -13.227 17.184 6.385 1.00 0.49 C ATOM 25 C TYR A 22 -13.762 17.185 4.961 1.00 0.47 C ATOM 26 O TYR A 22 -14.812 17.771 4.685 1.00 0.57 O ATOM 27 CB TYR A 22 -13.747 15.950 7.136 1.00 0.56 C ATOM 28 CG TYR A 22 -13.730 16.095 8.643 1.00 0.55 C ATOM 29 CD1 TYR A 22 -12.587 16.513 9.310 1.00 0.56 C ATOM 30 CD2 TYR A 22 -14.861 15.812 9.398 1.00 0.61 C ATOM 31 CE1 TYR A 22 -12.569 16.646 10.684 1.00 0.60 C ATOM 32 CE2 TYR A 22 -14.851 15.943 10.775 1.00 0.67 C ATOM 33 CZ TYR A 22 -13.703 16.359 11.412 1.00 0.65 C ATOM 34 OH TYR A 22 -13.689 16.498 12.783 1.00 0.75 O ATOM 0 H TYR A 22 -14.610 18.461 7.307 1.00 0.49 H new ATOM 0 HA TYR A 22 -12.138 17.145 6.351 1.00 0.49 H new ATOM 0 HB2 TYR A 22 -14.767 15.743 6.812 1.00 0.56 H new ATOM 0 HB3 TYR A 22 -13.143 15.086 6.857 1.00 0.56 H new ATOM 0 HD1 TYR A 22 -11.695 16.738 8.744 1.00 0.56 H new ATOM 0 HD2 TYR A 22 -15.763 15.484 8.902 1.00 0.61 H new ATOM 0 HE1 TYR A 22 -11.670 16.973 11.186 1.00 0.60 H new ATOM 0 HE2 TYR A 22 -15.739 15.720 11.348 1.00 0.67 H new ATOM 0 HH TYR A 22 -14.567 16.257 13.145 1.00 0.75 H new ATOM 44 N LEU A 23 -13.037 16.536 4.062 1.00 0.41 N ATOM 45 CA LEU A 23 -13.443 16.453 2.665 1.00 0.43 C ATOM 46 C LEU A 23 -14.602 15.474 2.524 1.00 0.43 C ATOM 47 O LEU A 23 -15.599 15.760 1.862 1.00 0.52 O ATOM 48 CB LEU A 23 -12.268 16.007 1.793 1.00 0.45 C ATOM 49 CG LEU A 23 -11.027 16.898 1.868 1.00 0.54 C ATOM 50 CD1 LEU A 23 -9.877 16.278 1.092 1.00 0.64 C ATOM 51 CD2 LEU A 23 -11.337 18.294 1.341 1.00 0.70 C ATOM 0 H LEU A 23 -12.162 16.057 4.275 1.00 0.41 H new ATOM 0 HA LEU A 23 -13.765 17.440 2.332 1.00 0.43 H new ATOM 0 HB2 LEU A 23 -11.986 14.994 2.081 1.00 0.45 H new ATOM 0 HB3 LEU A 23 -12.602 15.963 0.756 1.00 0.45 H new ATOM 0 HG LEU A 23 -10.729 16.984 2.913 1.00 0.54 H new ATOM 0 HD11 LEU A 23 -9.003 16.926 1.157 1.00 0.64 H new ATOM 0 HD12 LEU A 23 -9.637 15.302 1.514 1.00 0.64 H new ATOM 0 HD13 LEU A 23 -10.165 16.160 0.047 1.00 0.64 H new ATOM 0 HD21 LEU A 23 -10.442 18.913 1.402 1.00 0.70 H new ATOM 0 HD22 LEU A 23 -11.661 18.227 0.303 1.00 0.70 H new ATOM 0 HD23 LEU A 23 -12.130 18.742 1.941 1.00 0.70 H new ATOM 63 N VAL A 24 -14.453 14.319 3.158 1.00 0.42 N ATOM 64 CA VAL A 24 -15.470 13.274 3.145 1.00 0.46 C ATOM 65 C VAL A 24 -15.651 12.751 4.566 1.00 0.43 C ATOM 66 O VAL A 24 -14.665 12.597 5.290 1.00 0.44 O ATOM 67 CB VAL A 24 -15.079 12.096 2.217 1.00 0.54 C ATOM 68 CG1 VAL A 24 -16.194 11.063 2.147 1.00 0.70 C ATOM 69 CG2 VAL A 24 -14.724 12.596 0.823 1.00 0.76 C ATOM 0 H VAL A 24 -13.621 14.079 3.698 1.00 0.42 H new ATOM 0 HA VAL A 24 -16.396 13.705 2.764 1.00 0.46 H new ATOM 0 HB VAL A 24 -14.198 11.616 2.642 1.00 0.54 H new ATOM 0 HG11 VAL A 24 -15.894 10.247 1.489 1.00 0.70 H new ATOM 0 HG12 VAL A 24 -16.390 10.671 3.145 1.00 0.70 H new ATOM 0 HG13 VAL A 24 -17.098 11.530 1.756 1.00 0.70 H new ATOM 0 HG21 VAL A 24 -14.453 11.750 0.191 1.00 0.76 H new ATOM 0 HG22 VAL A 24 -15.582 13.111 0.392 1.00 0.76 H new ATOM 0 HG23 VAL A 24 -13.882 13.285 0.887 1.00 0.76 H new ATOM 79 N GLU A 25 -16.891 12.503 4.972 1.00 0.45 N ATOM 80 CA GLU A 25 -17.166 11.995 6.309 1.00 0.45 C ATOM 81 C GLU A 25 -18.406 11.106 6.308 1.00 0.47 C ATOM 82 O GLU A 25 -19.387 11.393 5.614 1.00 0.55 O ATOM 83 CB GLU A 25 -17.347 13.149 7.302 1.00 0.49 C ATOM 84 CG GLU A 25 -18.491 14.095 6.958 1.00 0.56 C ATOM 85 CD GLU A 25 -18.701 15.159 8.019 1.00 0.69 C ATOM 86 OE1 GLU A 25 -19.177 14.818 9.124 1.00 0.96 O ATOM 87 OE2 GLU A 25 -18.394 16.344 7.754 1.00 0.95 O ATOM 0 H GLU A 25 -17.720 12.645 4.395 1.00 0.45 H new ATOM 0 HA GLU A 25 -16.310 11.397 6.622 1.00 0.45 H new ATOM 0 HB2 GLU A 25 -17.519 12.735 8.296 1.00 0.49 H new ATOM 0 HB3 GLU A 25 -16.420 13.720 7.351 1.00 0.49 H new ATOM 0 HG2 GLU A 25 -18.286 14.575 6.001 1.00 0.56 H new ATOM 0 HG3 GLU A 25 -19.410 13.521 6.836 1.00 0.56 H new ATOM 94 N PHE A 26 -18.344 10.015 7.063 1.00 0.43 N ATOM 95 CA PHE A 26 -19.460 9.085 7.172 1.00 0.46 C ATOM 96 C PHE A 26 -19.294 8.206 8.407 1.00 0.45 C ATOM 97 O PHE A 26 -18.200 8.105 8.965 1.00 0.44 O ATOM 98 CB PHE A 26 -19.597 8.220 5.909 1.00 0.47 C ATOM 99 CG PHE A 26 -18.350 7.470 5.521 1.00 0.46 C ATOM 100 CD1 PHE A 26 -17.402 8.054 4.692 1.00 0.51 C ATOM 101 CD2 PHE A 26 -18.131 6.180 5.973 1.00 0.48 C ATOM 102 CE1 PHE A 26 -16.260 7.367 4.331 1.00 0.55 C ATOM 103 CE2 PHE A 26 -16.991 5.487 5.613 1.00 0.49 C ATOM 104 CZ PHE A 26 -16.055 6.081 4.790 1.00 0.51 C ATOM 0 H PHE A 26 -17.526 9.752 7.612 1.00 0.43 H new ATOM 0 HA PHE A 26 -20.375 9.668 7.273 1.00 0.46 H new ATOM 0 HB2 PHE A 26 -20.403 7.503 6.062 1.00 0.47 H new ATOM 0 HB3 PHE A 26 -19.893 8.860 5.078 1.00 0.47 H new ATOM 0 HD1 PHE A 26 -17.560 9.057 4.325 1.00 0.51 H new ATOM 0 HD2 PHE A 26 -18.861 5.709 6.615 1.00 0.48 H new ATOM 0 HE1 PHE A 26 -15.528 7.835 3.690 1.00 0.55 H new ATOM 0 HE2 PHE A 26 -16.832 4.482 5.975 1.00 0.49 H new ATOM 0 HZ PHE A 26 -15.164 5.541 4.506 1.00 0.51 H new ATOM 114 N ARG A 27 -20.382 7.585 8.833 1.00 0.47 N ATOM 115 CA ARG A 27 -20.364 6.729 10.008 1.00 0.47 C ATOM 116 C ARG A 27 -19.986 5.295 9.643 1.00 0.45 C ATOM 117 O ARG A 27 -20.659 4.646 8.838 1.00 0.46 O ATOM 118 CB ARG A 27 -21.733 6.760 10.686 1.00 0.51 C ATOM 119 CG ARG A 27 -22.066 8.112 11.299 1.00 0.55 C ATOM 120 CD ARG A 27 -23.561 8.272 11.534 1.00 0.61 C ATOM 121 NE ARG A 27 -24.300 8.435 10.285 1.00 0.62 N ATOM 122 CZ ARG A 27 -25.547 8.900 10.206 1.00 0.73 C ATOM 123 NH1 ARG A 27 -26.197 9.260 11.305 1.00 0.84 N ATOM 124 NH2 ARG A 27 -26.143 8.996 9.026 1.00 0.77 N ATOM 0 H ARG A 27 -21.293 7.658 8.380 1.00 0.47 H new ATOM 0 HA ARG A 27 -19.609 7.106 10.698 1.00 0.47 H new ATOM 0 HB2 ARG A 27 -22.499 6.501 9.956 1.00 0.51 H new ATOM 0 HB3 ARG A 27 -21.763 5.998 11.464 1.00 0.51 H new ATOM 0 HG2 ARG A 27 -21.535 8.223 12.245 1.00 0.55 H new ATOM 0 HG3 ARG A 27 -21.714 8.906 10.641 1.00 0.55 H new ATOM 0 HD2 ARG A 27 -23.939 7.400 12.067 1.00 0.61 H new ATOM 0 HD3 ARG A 27 -23.736 9.137 12.174 1.00 0.61 H new ATOM 0 HE ARG A 27 -23.832 8.176 9.417 1.00 0.62 H new ATOM 0 HH11 ARG A 27 -25.743 9.182 12.215 1.00 0.84 H new ATOM 0 HH12 ARG A 27 -27.151 9.615 11.240 1.00 0.84 H new ATOM 0 HH21 ARG A 27 -25.648 8.714 8.180 1.00 0.77 H new ATOM 0 HH22 ARG A 27 -27.097 9.352 8.964 1.00 0.77 H new ATOM 138 N ALA A 28 -18.906 4.806 10.241 1.00 0.44 N ATOM 139 CA ALA A 28 -18.432 3.453 9.986 1.00 0.43 C ATOM 140 C ALA A 28 -17.602 2.937 11.158 1.00 0.42 C ATOM 141 O ALA A 28 -16.850 3.690 11.782 1.00 0.44 O ATOM 142 CB ALA A 28 -17.617 3.405 8.703 1.00 0.42 C ATOM 0 H ALA A 28 -18.340 5.330 10.909 1.00 0.44 H new ATOM 0 HA ALA A 28 -19.303 2.807 9.871 1.00 0.43 H new ATOM 0 HB1 ALA A 28 -17.271 2.386 8.529 1.00 0.42 H new ATOM 0 HB2 ALA A 28 -18.237 3.726 7.866 1.00 0.42 H new ATOM 0 HB3 ALA A 28 -16.757 4.069 8.793 1.00 0.42 H new ATOM 148 N GLY A 29 -17.737 1.651 11.445 1.00 0.43 N ATOM 149 CA GLY A 29 -17.007 1.054 12.544 1.00 0.43 C ATOM 150 C GLY A 29 -15.704 0.432 12.090 1.00 0.41 C ATOM 151 O GLY A 29 -15.585 -0.003 10.944 1.00 0.46 O ATOM 0 H GLY A 29 -18.342 1.008 10.934 1.00 0.43 H new ATOM 0 HA2 GLY A 29 -16.802 1.814 13.298 1.00 0.43 H new ATOM 0 HA3 GLY A 29 -17.626 0.293 13.019 1.00 0.43 H new ATOM 155 N LYS A 30 -14.731 0.381 12.992 1.00 0.42 N ATOM 156 CA LYS A 30 -13.423 -0.185 12.687 1.00 0.42 C ATOM 157 C LYS A 30 -13.360 -1.653 13.103 1.00 0.41 C ATOM 158 O LYS A 30 -14.322 -2.196 13.655 1.00 0.45 O ATOM 159 CB LYS A 30 -12.316 0.611 13.395 1.00 0.48 C ATOM 160 CG LYS A 30 -12.404 0.566 14.914 1.00 0.54 C ATOM 161 CD LYS A 30 -11.340 1.435 15.569 1.00 0.67 C ATOM 162 CE LYS A 30 -9.995 0.728 15.651 1.00 0.70 C ATOM 163 NZ LYS A 30 -8.918 1.647 16.106 1.00 0.60 N ATOM 0 H LYS A 30 -14.825 0.727 13.947 1.00 0.42 H new ATOM 0 HA LYS A 30 -13.268 -0.122 11.610 1.00 0.42 H new ATOM 0 HB2 LYS A 30 -11.346 0.222 13.085 1.00 0.48 H new ATOM 0 HB3 LYS A 30 -12.362 1.650 13.068 1.00 0.48 H new ATOM 0 HG2 LYS A 30 -13.392 0.901 15.231 1.00 0.54 H new ATOM 0 HG3 LYS A 30 -12.292 -0.464 15.254 1.00 0.54 H new ATOM 0 HD2 LYS A 30 -11.229 2.360 15.003 1.00 0.67 H new ATOM 0 HD3 LYS A 30 -11.665 1.712 16.572 1.00 0.67 H new ATOM 0 HE2 LYS A 30 -10.068 -0.115 16.338 1.00 0.70 H new ATOM 0 HE3 LYS A 30 -9.737 0.321 14.673 1.00 0.70 H new ATOM 0 HZ1 LYS A 30 -8.188 1.104 16.609 1.00 0.60 H new ATOM 0 HZ2 LYS A 30 -8.493 2.118 15.282 1.00 0.60 H new ATOM 0 HZ3 LYS A 30 -9.319 2.362 16.745 1.00 0.60 H new ATOM 177 N MET A 31 -12.229 -2.290 12.826 1.00 0.43 N ATOM 178 CA MET A 31 -12.015 -3.686 13.180 1.00 0.44 C ATOM 179 C MET A 31 -10.604 -3.862 13.727 1.00 0.46 C ATOM 180 O MET A 31 -9.646 -3.326 13.165 1.00 0.55 O ATOM 181 CB MET A 31 -12.224 -4.599 11.966 1.00 0.46 C ATOM 182 CG MET A 31 -13.589 -4.464 11.309 1.00 0.47 C ATOM 183 SD MET A 31 -14.107 -5.975 10.467 1.00 0.54 S ATOM 184 CE MET A 31 -15.630 -5.426 9.703 1.00 0.61 C ATOM 0 H MET A 31 -11.438 -1.855 12.352 1.00 0.43 H new ATOM 0 HA MET A 31 -12.741 -3.966 13.943 1.00 0.44 H new ATOM 0 HB2 MET A 31 -11.454 -4.381 11.226 1.00 0.46 H new ATOM 0 HB3 MET A 31 -12.084 -5.634 12.276 1.00 0.46 H new ATOM 0 HG2 MET A 31 -14.328 -4.203 12.066 1.00 0.47 H new ATOM 0 HG3 MET A 31 -13.563 -3.643 10.592 1.00 0.47 H new ATOM 0 HE1 MET A 31 -16.074 -6.249 9.143 1.00 0.61 H new ATOM 0 HE2 MET A 31 -16.325 -5.095 10.474 1.00 0.61 H new ATOM 0 HE3 MET A 31 -15.419 -4.599 9.025 1.00 0.61 H new ATOM 194 N SER A 32 -10.475 -4.603 14.813 1.00 0.49 N ATOM 195 CA SER A 32 -9.178 -4.824 15.435 1.00 0.52 C ATOM 196 C SER A 32 -8.696 -6.256 15.211 1.00 0.52 C ATOM 197 O SER A 32 -9.482 -7.207 15.270 1.00 0.54 O ATOM 198 CB SER A 32 -9.262 -4.519 16.931 1.00 0.59 C ATOM 199 OG SER A 32 -9.642 -3.169 17.156 1.00 0.93 O ATOM 0 H SER A 32 -11.253 -5.064 15.285 1.00 0.49 H new ATOM 0 HA SER A 32 -8.455 -4.152 14.972 1.00 0.52 H new ATOM 0 HB2 SER A 32 -9.984 -5.187 17.402 1.00 0.59 H new ATOM 0 HB3 SER A 32 -8.297 -4.712 17.400 1.00 0.59 H new ATOM 0 HG SER A 32 -9.690 -2.999 18.120 1.00 0.93 H new ATOM 205 N LEU A 33 -7.406 -6.408 14.943 1.00 0.54 N ATOM 206 CA LEU A 33 -6.823 -7.720 14.715 1.00 0.56 C ATOM 207 C LEU A 33 -6.313 -8.306 16.029 1.00 0.58 C ATOM 208 O LEU A 33 -5.227 -7.963 16.496 1.00 0.63 O ATOM 209 CB LEU A 33 -5.677 -7.632 13.700 1.00 0.58 C ATOM 210 CG LEU A 33 -4.976 -8.957 13.379 1.00 0.61 C ATOM 211 CD1 LEU A 33 -5.880 -9.851 12.545 1.00 0.62 C ATOM 212 CD2 LEU A 33 -3.666 -8.699 12.654 1.00 0.67 C ATOM 0 H LEU A 33 -6.743 -5.635 14.878 1.00 0.54 H new ATOM 0 HA LEU A 33 -7.596 -8.374 14.311 1.00 0.56 H new ATOM 0 HB2 LEU A 33 -6.068 -7.214 12.772 1.00 0.58 H new ATOM 0 HB3 LEU A 33 -4.934 -6.930 14.078 1.00 0.58 H new ATOM 0 HG LEU A 33 -4.758 -9.469 14.316 1.00 0.61 H new ATOM 0 HD11 LEU A 33 -5.365 -10.787 12.327 1.00 0.62 H new ATOM 0 HD12 LEU A 33 -6.795 -10.061 13.098 1.00 0.62 H new ATOM 0 HD13 LEU A 33 -6.128 -9.347 11.611 1.00 0.62 H new ATOM 0 HD21 LEU A 33 -3.179 -9.649 12.433 1.00 0.67 H new ATOM 0 HD22 LEU A 33 -3.864 -8.167 11.723 1.00 0.67 H new ATOM 0 HD23 LEU A 33 -3.014 -8.096 13.285 1.00 0.67 H new ATOM 224 N LYS A 34 -7.107 -9.180 16.626 1.00 0.59 N ATOM 225 CA LYS A 34 -6.732 -9.807 17.881 1.00 0.63 C ATOM 226 C LYS A 34 -6.020 -11.123 17.608 1.00 0.65 C ATOM 227 O LYS A 34 -6.647 -12.113 17.224 1.00 0.68 O ATOM 228 CB LYS A 34 -7.964 -10.045 18.755 1.00 0.66 C ATOM 229 CG LYS A 34 -8.738 -8.777 19.075 1.00 0.68 C ATOM 230 CD LYS A 34 -9.843 -9.035 20.090 1.00 0.76 C ATOM 231 CE LYS A 34 -10.749 -7.825 20.242 1.00 0.84 C ATOM 232 NZ LYS A 34 -11.784 -8.031 21.292 1.00 1.01 N ATOM 0 H LYS A 34 -8.014 -9.471 16.261 1.00 0.59 H new ATOM 0 HA LYS A 34 -6.057 -9.139 18.416 1.00 0.63 H new ATOM 0 HB2 LYS A 34 -8.627 -10.748 18.250 1.00 0.66 H new ATOM 0 HB3 LYS A 34 -7.652 -10.515 19.688 1.00 0.66 H new ATOM 0 HG2 LYS A 34 -8.055 -8.022 19.464 1.00 0.68 H new ATOM 0 HG3 LYS A 34 -9.171 -8.374 18.160 1.00 0.68 H new ATOM 0 HD2 LYS A 34 -10.433 -9.896 19.777 1.00 0.76 H new ATOM 0 HD3 LYS A 34 -9.402 -9.285 21.055 1.00 0.76 H new ATOM 0 HE2 LYS A 34 -10.148 -6.951 20.492 1.00 0.84 H new ATOM 0 HE3 LYS A 34 -11.236 -7.615 19.290 1.00 0.84 H new ATOM 0 HZ1 LYS A 34 -12.380 -7.182 21.363 1.00 1.01 H new ATOM 0 HZ2 LYS A 34 -12.375 -8.849 21.041 1.00 1.01 H new ATOM 0 HZ3 LYS A 34 -11.321 -8.206 22.207 1.00 1.01 H new ATOM 246 N GLY A 35 -4.706 -11.118 17.784 1.00 0.66 N ATOM 247 CA GLY A 35 -3.911 -12.303 17.549 1.00 0.70 C ATOM 248 C GLY A 35 -3.751 -12.583 16.072 1.00 0.70 C ATOM 249 O GLY A 35 -2.734 -12.244 15.471 1.00 0.75 O ATOM 0 H GLY A 35 -4.173 -10.304 18.089 1.00 0.66 H new ATOM 0 HA2 GLY A 35 -2.929 -12.179 18.005 1.00 0.70 H new ATOM 0 HA3 GLY A 35 -4.381 -13.159 18.033 1.00 0.70 H new ATOM 253 N THR A 36 -4.766 -13.190 15.488 1.00 0.68 N ATOM 254 CA THR A 36 -4.758 -13.515 14.074 1.00 0.70 C ATOM 255 C THR A 36 -6.187 -13.507 13.528 1.00 0.68 C ATOM 256 O THR A 36 -6.435 -13.898 12.386 1.00 0.72 O ATOM 257 CB THR A 36 -4.092 -14.889 13.823 1.00 0.75 C ATOM 258 OG1 THR A 36 -3.918 -15.106 12.418 1.00 0.82 O ATOM 259 CG2 THR A 36 -4.916 -16.023 14.421 1.00 0.77 C ATOM 0 H THR A 36 -5.616 -13.471 15.977 1.00 0.68 H new ATOM 0 HA THR A 36 -4.173 -12.758 13.551 1.00 0.70 H new ATOM 0 HB THR A 36 -3.118 -14.880 14.312 1.00 0.75 H new ATOM 0 HG1 THR A 36 -4.632 -14.650 11.926 1.00 0.82 H new ATOM 0 HG21 THR A 36 -4.421 -16.974 14.227 1.00 0.77 H new ATOM 0 HG22 THR A 36 -5.011 -15.876 15.497 1.00 0.77 H new ATOM 0 HG23 THR A 36 -5.907 -16.031 13.967 1.00 0.77 H new ATOM 267 N THR A 37 -7.117 -13.027 14.345 1.00 0.66 N ATOM 268 CA THR A 37 -8.520 -12.971 13.968 1.00 0.66 C ATOM 269 C THR A 37 -9.030 -11.531 13.988 1.00 0.61 C ATOM 270 O THR A 37 -8.904 -10.830 14.996 1.00 0.61 O ATOM 271 CB THR A 37 -9.375 -13.832 14.918 1.00 0.71 C ATOM 272 OG1 THR A 37 -8.749 -15.108 15.117 1.00 0.79 O ATOM 273 CG2 THR A 37 -10.778 -14.033 14.365 1.00 0.81 C ATOM 0 H THR A 37 -6.920 -12.669 15.280 1.00 0.66 H new ATOM 0 HA THR A 37 -8.607 -13.364 12.955 1.00 0.66 H new ATOM 0 HB THR A 37 -9.453 -13.308 15.871 1.00 0.71 H new ATOM 0 HG1 THR A 37 -9.296 -15.650 15.723 1.00 0.79 H new ATOM 0 HG21 THR A 37 -11.358 -14.644 15.057 1.00 0.81 H new ATOM 0 HG22 THR A 37 -11.263 -13.065 14.242 1.00 0.81 H new ATOM 0 HG23 THR A 37 -10.720 -14.535 13.399 1.00 0.81 H new ATOM 281 N VAL A 38 -9.589 -11.089 12.872 1.00 0.60 N ATOM 282 CA VAL A 38 -10.120 -9.738 12.770 1.00 0.57 C ATOM 283 C VAL A 38 -11.461 -9.651 13.494 1.00 0.57 C ATOM 284 O VAL A 38 -12.436 -10.293 13.100 1.00 0.64 O ATOM 285 CB VAL A 38 -10.304 -9.304 11.300 1.00 0.57 C ATOM 286 CG1 VAL A 38 -10.755 -7.856 11.218 1.00 0.59 C ATOM 287 CG2 VAL A 38 -9.016 -9.506 10.514 1.00 0.61 C ATOM 0 H VAL A 38 -9.687 -11.646 12.023 1.00 0.60 H new ATOM 0 HA VAL A 38 -9.399 -9.065 13.235 1.00 0.57 H new ATOM 0 HB VAL A 38 -11.079 -9.930 10.857 1.00 0.57 H new ATOM 0 HG11 VAL A 38 -10.878 -7.572 10.173 1.00 0.59 H new ATOM 0 HG12 VAL A 38 -11.705 -7.741 11.740 1.00 0.59 H new ATOM 0 HG13 VAL A 38 -10.006 -7.215 11.682 1.00 0.59 H new ATOM 0 HG21 VAL A 38 -9.168 -9.194 9.481 1.00 0.61 H new ATOM 0 HG22 VAL A 38 -8.220 -8.910 10.960 1.00 0.61 H new ATOM 0 HG23 VAL A 38 -8.737 -10.559 10.538 1.00 0.61 H new ATOM 297 N THR A 39 -11.495 -8.877 14.563 1.00 0.56 N ATOM 298 CA THR A 39 -12.703 -8.709 15.347 1.00 0.58 C ATOM 299 C THR A 39 -13.249 -7.292 15.179 1.00 0.55 C ATOM 300 O THR A 39 -12.583 -6.320 15.536 1.00 0.55 O ATOM 301 CB THR A 39 -12.430 -8.989 16.834 1.00 0.64 C ATOM 302 OG1 THR A 39 -11.388 -9.972 16.951 1.00 0.67 O ATOM 303 CG2 THR A 39 -13.688 -9.490 17.532 1.00 0.74 C ATOM 0 H THR A 39 -10.693 -8.351 14.910 1.00 0.56 H new ATOM 0 HA THR A 39 -13.444 -9.423 14.988 1.00 0.58 H new ATOM 0 HB THR A 39 -12.119 -8.060 17.312 1.00 0.64 H new ATOM 0 HG1 THR A 39 -11.424 -10.383 17.840 1.00 0.67 H new ATOM 0 HG21 THR A 39 -13.470 -9.681 18.583 1.00 0.74 H new ATOM 0 HG22 THR A 39 -14.471 -8.736 17.456 1.00 0.74 H new ATOM 0 HG23 THR A 39 -14.024 -10.412 17.058 1.00 0.74 H new ATOM 311 N PRO A 40 -14.453 -7.155 14.604 1.00 0.55 N ATOM 312 CA PRO A 40 -15.079 -5.848 14.386 1.00 0.54 C ATOM 313 C PRO A 40 -15.425 -5.141 15.692 1.00 0.56 C ATOM 314 O PRO A 40 -15.830 -5.779 16.666 1.00 0.63 O ATOM 315 CB PRO A 40 -16.364 -6.177 13.610 1.00 0.56 C ATOM 316 CG PRO A 40 -16.206 -7.579 13.134 1.00 0.65 C ATOM 317 CD PRO A 40 -15.299 -8.257 14.116 1.00 0.58 C ATOM 0 HA PRO A 40 -14.408 -5.170 13.858 1.00 0.54 H new ATOM 0 HB2 PRO A 40 -17.242 -6.078 14.248 1.00 0.56 H new ATOM 0 HB3 PRO A 40 -16.500 -5.493 12.772 1.00 0.56 H new ATOM 0 HG2 PRO A 40 -17.171 -8.083 13.083 1.00 0.65 H new ATOM 0 HG3 PRO A 40 -15.781 -7.603 12.131 1.00 0.65 H new ATOM 0 HD2 PRO A 40 -15.859 -8.725 14.926 1.00 0.58 H new ATOM 0 HD3 PRO A 40 -14.707 -9.041 13.644 1.00 0.58 H new ATOM 325 N ASP A 41 -15.251 -3.827 15.708 1.00 0.53 N ATOM 326 CA ASP A 41 -15.565 -3.029 16.884 1.00 0.56 C ATOM 327 C ASP A 41 -17.067 -2.777 16.926 1.00 0.58 C ATOM 328 O ASP A 41 -17.736 -2.842 15.894 1.00 0.66 O ATOM 329 CB ASP A 41 -14.804 -1.696 16.850 1.00 0.57 C ATOM 330 CG ASP A 41 -14.535 -1.136 18.235 1.00 0.61 C ATOM 331 OD1 ASP A 41 -15.504 -0.857 18.973 1.00 0.64 O ATOM 332 OD2 ASP A 41 -13.348 -0.965 18.595 1.00 0.68 O ATOM 0 H ASP A 41 -14.893 -3.290 14.918 1.00 0.53 H new ATOM 0 HA ASP A 41 -15.259 -3.570 17.779 1.00 0.56 H new ATOM 0 HB2 ASP A 41 -13.857 -1.837 16.330 1.00 0.57 H new ATOM 0 HB3 ASP A 41 -15.378 -0.970 16.275 1.00 0.57 H new ATOM 337 N LYS A 42 -17.596 -2.505 18.106 1.00 0.61 N ATOM 338 CA LYS A 42 -19.023 -2.259 18.260 1.00 0.64 C ATOM 339 C LYS A 42 -19.295 -0.793 18.564 1.00 0.64 C ATOM 340 O LYS A 42 -20.421 -0.412 18.883 1.00 0.76 O ATOM 341 CB LYS A 42 -19.594 -3.139 19.372 1.00 0.71 C ATOM 342 CG LYS A 42 -19.491 -4.626 19.082 1.00 0.72 C ATOM 343 CD LYS A 42 -20.028 -5.457 20.234 1.00 0.84 C ATOM 344 CE LYS A 42 -19.846 -6.944 19.981 1.00 0.90 C ATOM 345 NZ LYS A 42 -18.411 -7.326 19.899 1.00 1.08 N ATOM 0 H LYS A 42 -17.061 -2.448 18.973 1.00 0.61 H new ATOM 0 HA LYS A 42 -19.513 -2.510 17.319 1.00 0.64 H new ATOM 0 HB2 LYS A 42 -19.069 -2.921 20.302 1.00 0.71 H new ATOM 0 HB3 LYS A 42 -20.641 -2.879 19.528 1.00 0.71 H new ATOM 0 HG2 LYS A 42 -20.046 -4.860 18.174 1.00 0.72 H new ATOM 0 HG3 LYS A 42 -18.450 -4.890 18.896 1.00 0.72 H new ATOM 0 HD2 LYS A 42 -19.516 -5.178 21.155 1.00 0.84 H new ATOM 0 HD3 LYS A 42 -21.086 -5.239 20.379 1.00 0.84 H new ATOM 0 HE2 LYS A 42 -20.326 -7.509 20.780 1.00 0.90 H new ATOM 0 HE3 LYS A 42 -20.347 -7.217 19.052 1.00 0.90 H new ATOM 0 HZ1 LYS A 42 -18.321 -8.359 19.981 1.00 1.08 H new ATOM 0 HZ2 LYS A 42 -18.021 -7.016 18.986 1.00 1.08 H new ATOM 0 HZ3 LYS A 42 -17.886 -6.871 20.672 1.00 1.08 H new ATOM 359 N ARG A 43 -18.259 0.026 18.480 1.00 0.58 N ATOM 360 CA ARG A 43 -18.397 1.450 18.747 1.00 0.58 C ATOM 361 C ARG A 43 -18.708 2.224 17.475 1.00 0.55 C ATOM 362 O ARG A 43 -18.317 1.825 16.376 1.00 0.55 O ATOM 363 CB ARG A 43 -17.119 2.002 19.363 1.00 0.58 C ATOM 364 CG ARG A 43 -16.905 1.577 20.800 1.00 0.60 C ATOM 365 CD ARG A 43 -15.532 1.993 21.284 1.00 0.60 C ATOM 366 NE ARG A 43 -14.473 1.453 20.433 1.00 0.57 N ATOM 367 CZ ARG A 43 -13.391 2.131 20.065 1.00 0.57 C ATOM 368 NH1 ARG A 43 -13.219 3.384 20.452 1.00 0.62 N ATOM 369 NH2 ARG A 43 -12.486 1.558 19.291 1.00 0.57 N ATOM 0 H ARG A 43 -17.315 -0.269 18.230 1.00 0.58 H new ATOM 0 HA ARG A 43 -19.225 1.571 19.445 1.00 0.58 H new ATOM 0 HB2 ARG A 43 -16.268 1.675 18.766 1.00 0.58 H new ATOM 0 HB3 ARG A 43 -17.143 3.091 19.315 1.00 0.58 H new ATOM 0 HG2 ARG A 43 -17.670 2.024 21.434 1.00 0.60 H new ATOM 0 HG3 ARG A 43 -17.013 0.496 20.884 1.00 0.60 H new ATOM 0 HD2 ARG A 43 -15.466 3.081 21.301 1.00 0.60 H new ATOM 0 HD3 ARG A 43 -15.387 1.649 22.308 1.00 0.60 H new ATOM 0 HE ARG A 43 -14.571 0.494 20.100 1.00 0.57 H new ATOM 0 HH11 ARG A 43 -13.920 3.838 21.038 1.00 0.62 H new ATOM 0 HH12 ARG A 43 -12.385 3.897 20.165 1.00 0.62 H new ATOM 0 HH21 ARG A 43 -12.619 0.597 18.977 1.00 0.57 H new ATOM 0 HH22 ARG A 43 -11.655 2.077 19.008 1.00 0.57 H new ATOM 383 N LYS A 44 -19.416 3.331 17.633 1.00 0.57 N ATOM 384 CA LYS A 44 -19.761 4.179 16.508 1.00 0.56 C ATOM 385 C LYS A 44 -18.581 5.082 16.183 1.00 0.53 C ATOM 386 O LYS A 44 -18.173 5.900 17.006 1.00 0.59 O ATOM 387 CB LYS A 44 -21.005 5.006 16.835 1.00 0.62 C ATOM 388 CG LYS A 44 -22.236 4.155 17.103 1.00 0.70 C ATOM 389 CD LYS A 44 -23.335 4.947 17.795 1.00 0.79 C ATOM 390 CE LYS A 44 -24.581 4.097 18.003 1.00 0.93 C ATOM 391 NZ LYS A 44 -25.557 4.748 18.920 1.00 1.07 N ATOM 0 H LYS A 44 -19.763 3.662 18.533 1.00 0.57 H new ATOM 0 HA LYS A 44 -19.986 3.562 15.638 1.00 0.56 H new ATOM 0 HB2 LYS A 44 -20.802 5.626 17.709 1.00 0.62 H new ATOM 0 HB3 LYS A 44 -21.212 5.682 16.006 1.00 0.62 H new ATOM 0 HG2 LYS A 44 -22.614 3.757 16.161 1.00 0.70 H new ATOM 0 HG3 LYS A 44 -21.959 3.301 17.722 1.00 0.70 H new ATOM 0 HD2 LYS A 44 -22.974 5.309 18.758 1.00 0.79 H new ATOM 0 HD3 LYS A 44 -23.586 5.824 17.198 1.00 0.79 H new ATOM 0 HE2 LYS A 44 -25.057 3.911 17.040 1.00 0.93 H new ATOM 0 HE3 LYS A 44 -24.294 3.127 18.409 1.00 0.93 H new ATOM 0 HZ1 LYS A 44 -26.389 4.135 19.033 1.00 1.07 H new ATOM 0 HZ2 LYS A 44 -25.112 4.903 19.847 1.00 1.07 H new ATOM 0 HZ3 LYS A 44 -25.852 5.662 18.521 1.00 1.07 H new ATOM 405 N GLY A 45 -18.018 4.919 14.997 1.00 0.52 N ATOM 406 CA GLY A 45 -16.876 5.720 14.615 1.00 0.51 C ATOM 407 C GLY A 45 -17.148 6.604 13.427 1.00 0.48 C ATOM 408 O GLY A 45 -18.017 6.311 12.603 1.00 0.50 O ATOM 0 H GLY A 45 -18.330 4.249 14.294 1.00 0.52 H new ATOM 0 HA2 GLY A 45 -16.574 6.339 15.460 1.00 0.51 H new ATOM 0 HA3 GLY A 45 -16.038 5.062 14.387 1.00 0.51 H new ATOM 412 N LEU A 46 -16.412 7.691 13.345 1.00 0.46 N ATOM 413 CA LEU A 46 -16.561 8.627 12.252 1.00 0.45 C ATOM 414 C LEU A 46 -15.337 8.580 11.354 1.00 0.41 C ATOM 415 O LEU A 46 -14.248 9.005 11.750 1.00 0.42 O ATOM 416 CB LEU A 46 -16.766 10.046 12.790 1.00 0.47 C ATOM 417 CG LEU A 46 -16.872 11.143 11.726 1.00 0.51 C ATOM 418 CD1 LEU A 46 -18.109 10.944 10.861 1.00 0.56 C ATOM 419 CD2 LEU A 46 -16.892 12.513 12.383 1.00 0.59 C ATOM 0 H LEU A 46 -15.699 7.950 14.028 1.00 0.46 H new ATOM 0 HA LEU A 46 -17.438 8.346 11.669 1.00 0.45 H new ATOM 0 HB2 LEU A 46 -17.674 10.060 13.394 1.00 0.47 H new ATOM 0 HB3 LEU A 46 -15.937 10.287 13.455 1.00 0.47 H new ATOM 0 HG LEU A 46 -15.997 11.080 11.079 1.00 0.51 H new ATOM 0 HD11 LEU A 46 -18.161 11.736 10.114 1.00 0.56 H new ATOM 0 HD12 LEU A 46 -18.052 9.977 10.362 1.00 0.56 H new ATOM 0 HD13 LEU A 46 -19.000 10.977 11.488 1.00 0.56 H new ATOM 0 HD21 LEU A 46 -16.968 13.283 11.616 1.00 0.59 H new ATOM 0 HD22 LEU A 46 -17.749 12.583 13.053 1.00 0.59 H new ATOM 0 HD23 LEU A 46 -15.974 12.657 12.952 1.00 0.59 H new ATOM 431 N VAL A 47 -15.513 8.034 10.160 1.00 0.40 N ATOM 432 CA VAL A 47 -14.435 7.948 9.191 1.00 0.39 C ATOM 433 C VAL A 47 -14.441 9.207 8.342 1.00 0.37 C ATOM 434 O VAL A 47 -15.451 9.530 7.712 1.00 0.40 O ATOM 435 CB VAL A 47 -14.574 6.710 8.279 1.00 0.41 C ATOM 436 CG1 VAL A 47 -13.452 6.667 7.253 1.00 0.57 C ATOM 437 CG2 VAL A 47 -14.589 5.434 9.105 1.00 0.43 C ATOM 0 H VAL A 47 -16.398 7.642 9.839 1.00 0.40 H new ATOM 0 HA VAL A 47 -13.495 7.851 9.733 1.00 0.39 H new ATOM 0 HB VAL A 47 -15.522 6.786 7.746 1.00 0.41 H new ATOM 0 HG11 VAL A 47 -13.570 5.787 6.621 1.00 0.57 H new ATOM 0 HG12 VAL A 47 -13.489 7.564 6.635 1.00 0.57 H new ATOM 0 HG13 VAL A 47 -12.491 6.619 7.766 1.00 0.57 H new ATOM 0 HG21 VAL A 47 -14.688 4.573 8.443 1.00 0.43 H new ATOM 0 HG22 VAL A 47 -13.659 5.354 9.668 1.00 0.43 H new ATOM 0 HG23 VAL A 47 -15.431 5.458 9.797 1.00 0.43 H new ATOM 447 N TYR A 48 -13.332 9.925 8.334 1.00 0.37 N ATOM 448 CA TYR A 48 -13.251 11.156 7.574 1.00 0.37 C ATOM 449 C TYR A 48 -11.895 11.319 6.905 1.00 0.34 C ATOM 450 O TYR A 48 -10.885 10.778 7.362 1.00 0.36 O ATOM 451 CB TYR A 48 -13.539 12.357 8.482 1.00 0.43 C ATOM 452 CG TYR A 48 -12.497 12.591 9.556 1.00 0.44 C ATOM 453 CD1 TYR A 48 -11.387 13.387 9.312 1.00 0.46 C ATOM 454 CD2 TYR A 48 -12.631 12.021 10.815 1.00 0.63 C ATOM 455 CE1 TYR A 48 -10.437 13.609 10.292 1.00 0.54 C ATOM 456 CE2 TYR A 48 -11.687 12.237 11.798 1.00 0.73 C ATOM 457 CZ TYR A 48 -10.592 13.031 11.532 1.00 0.64 C ATOM 458 OH TYR A 48 -9.649 13.250 12.512 1.00 0.78 O ATOM 0 H TYR A 48 -12.482 9.678 8.841 1.00 0.37 H new ATOM 0 HA TYR A 48 -14.004 11.108 6.787 1.00 0.37 H new ATOM 0 HB2 TYR A 48 -13.616 13.253 7.866 1.00 0.43 H new ATOM 0 HB3 TYR A 48 -14.509 12.213 8.958 1.00 0.43 H new ATOM 0 HD1 TYR A 48 -11.263 13.841 8.340 1.00 0.46 H new ATOM 0 HD2 TYR A 48 -13.488 11.399 11.028 1.00 0.63 H new ATOM 0 HE1 TYR A 48 -9.579 14.232 10.086 1.00 0.54 H new ATOM 0 HE2 TYR A 48 -11.806 11.786 12.772 1.00 0.73 H new ATOM 0 HH TYR A 48 -9.908 12.772 13.327 1.00 0.78 H new ATOM 468 N ILE A 49 -11.897 12.069 5.819 1.00 0.33 N ATOM 469 CA ILE A 49 -10.687 12.356 5.068 1.00 0.32 C ATOM 470 C ILE A 49 -10.367 13.837 5.195 1.00 0.30 C ATOM 471 O ILE A 49 -11.150 14.682 4.755 1.00 0.35 O ATOM 472 CB ILE A 49 -10.842 11.991 3.575 1.00 0.37 C ATOM 473 CG1 ILE A 49 -11.306 10.538 3.427 1.00 0.48 C ATOM 474 CG2 ILE A 49 -9.530 12.211 2.834 1.00 0.41 C ATOM 475 CD1 ILE A 49 -11.687 10.165 2.011 1.00 0.69 C ATOM 0 H ILE A 49 -12.738 12.497 5.431 1.00 0.33 H new ATOM 0 HA ILE A 49 -9.878 11.751 5.478 1.00 0.32 H new ATOM 0 HB ILE A 49 -11.598 12.642 3.135 1.00 0.37 H new ATOM 0 HG12 ILE A 49 -10.510 9.875 3.767 1.00 0.48 H new ATOM 0 HG13 ILE A 49 -12.162 10.370 4.081 1.00 0.48 H new ATOM 0 HG21 ILE A 49 -9.657 11.949 1.784 1.00 0.41 H new ATOM 0 HG22 ILE A 49 -9.238 13.258 2.914 1.00 0.41 H new ATOM 0 HG23 ILE A 49 -8.754 11.584 3.273 1.00 0.41 H new ATOM 0 HD11 ILE A 49 -12.005 9.123 1.982 1.00 0.69 H new ATOM 0 HD12 ILE A 49 -12.504 10.803 1.674 1.00 0.69 H new ATOM 0 HD13 ILE A 49 -10.827 10.300 1.355 1.00 0.69 H new ATOM 487 N GLN A 50 -9.241 14.160 5.811 1.00 0.30 N ATOM 488 CA GLN A 50 -8.865 15.551 5.998 1.00 0.33 C ATOM 489 C GLN A 50 -7.462 15.816 5.463 1.00 0.30 C ATOM 490 O GLN A 50 -6.574 14.977 5.586 1.00 0.36 O ATOM 491 CB GLN A 50 -8.946 15.922 7.481 1.00 0.42 C ATOM 492 CG GLN A 50 -8.765 17.407 7.747 1.00 0.51 C ATOM 493 CD GLN A 50 -9.036 17.787 9.187 1.00 0.66 C ATOM 494 OE1 GLN A 50 -8.800 17.004 10.110 1.00 0.82 O ATOM 495 NE2 GLN A 50 -9.534 18.993 9.388 1.00 0.86 N ATOM 0 H GLN A 50 -8.577 13.484 6.187 1.00 0.30 H new ATOM 0 HA GLN A 50 -9.563 16.172 5.437 1.00 0.33 H new ATOM 0 HB2 GLN A 50 -9.912 15.606 7.874 1.00 0.42 H new ATOM 0 HB3 GLN A 50 -8.183 15.368 8.028 1.00 0.42 H new ATOM 0 HG2 GLN A 50 -7.747 17.696 7.486 1.00 0.51 H new ATOM 0 HG3 GLN A 50 -9.433 17.971 7.096 1.00 0.51 H new ATOM 0 HE21 GLN A 50 -9.714 19.609 8.595 1.00 0.86 H new ATOM 0 HE22 GLN A 50 -9.739 19.309 10.336 1.00 0.86 H new ATOM 504 N GLN A 51 -7.274 16.978 4.865 1.00 0.37 N ATOM 505 CA GLN A 51 -5.983 17.358 4.319 1.00 0.37 C ATOM 506 C GLN A 51 -5.337 18.412 5.207 1.00 0.39 C ATOM 507 O GLN A 51 -5.933 19.455 5.480 1.00 0.51 O ATOM 508 CB GLN A 51 -6.151 17.903 2.904 1.00 0.44 C ATOM 509 CG GLN A 51 -4.837 18.133 2.174 1.00 0.52 C ATOM 510 CD GLN A 51 -4.970 19.138 1.048 1.00 0.72 C ATOM 511 OE1 GLN A 51 -5.741 20.093 1.139 1.00 0.91 O ATOM 512 NE2 GLN A 51 -4.232 18.922 -0.025 1.00 0.93 N ATOM 0 H GLN A 51 -8.004 17.680 4.744 1.00 0.37 H new ATOM 0 HA GLN A 51 -5.341 16.478 4.283 1.00 0.37 H new ATOM 0 HB2 GLN A 51 -6.759 17.207 2.327 1.00 0.44 H new ATOM 0 HB3 GLN A 51 -6.700 18.844 2.950 1.00 0.44 H new ATOM 0 HG2 GLN A 51 -4.087 18.483 2.883 1.00 0.52 H new ATOM 0 HG3 GLN A 51 -4.477 17.186 1.772 1.00 0.52 H new ATOM 0 HE21 GLN A 51 -3.605 18.118 -0.060 1.00 0.93 H new ATOM 0 HE22 GLN A 51 -4.288 19.559 -0.819 1.00 0.93 H new ATOM 521 N THR A 52 -4.131 18.137 5.670 1.00 0.38 N ATOM 522 CA THR A 52 -3.421 19.069 6.527 1.00 0.45 C ATOM 523 C THR A 52 -2.722 20.143 5.702 1.00 0.36 C ATOM 524 O THR A 52 -2.625 20.028 4.476 1.00 0.33 O ATOM 525 CB THR A 52 -2.390 18.330 7.393 1.00 0.59 C ATOM 526 OG1 THR A 52 -1.788 17.270 6.638 1.00 0.65 O ATOM 527 CG2 THR A 52 -3.048 17.761 8.640 1.00 0.80 C ATOM 0 H THR A 52 -3.623 17.276 5.467 1.00 0.38 H new ATOM 0 HA THR A 52 -4.154 19.548 7.176 1.00 0.45 H new ATOM 0 HB THR A 52 -1.621 19.041 7.697 1.00 0.59 H new ATOM 0 HG1 THR A 52 -1.131 16.804 7.196 1.00 0.65 H new ATOM 0 HG21 THR A 52 -2.301 17.241 9.240 1.00 0.80 H new ATOM 0 HG22 THR A 52 -3.483 18.572 9.224 1.00 0.80 H new ATOM 0 HG23 THR A 52 -3.832 17.061 8.351 1.00 0.80 H new ATOM 535 N ASP A 53 -2.221 21.178 6.373 1.00 0.40 N ATOM 536 CA ASP A 53 -1.528 22.272 5.693 1.00 0.41 C ATOM 537 C ASP A 53 -0.252 21.775 5.018 1.00 0.39 C ATOM 538 O ASP A 53 0.297 22.446 4.147 1.00 0.52 O ATOM 539 CB ASP A 53 -1.204 23.410 6.671 1.00 0.52 C ATOM 540 CG ASP A 53 0.111 23.216 7.403 1.00 0.62 C ATOM 541 OD1 ASP A 53 0.126 22.511 8.431 1.00 0.77 O ATOM 542 OD2 ASP A 53 1.136 23.782 6.961 1.00 0.74 O ATOM 0 H ASP A 53 -2.281 21.283 7.386 1.00 0.40 H new ATOM 0 HA ASP A 53 -2.196 22.659 4.924 1.00 0.41 H new ATOM 0 HB2 ASP A 53 -1.172 24.352 6.124 1.00 0.52 H new ATOM 0 HB3 ASP A 53 -2.009 23.493 7.401 1.00 0.52 H new ATOM 547 N ASP A 54 0.201 20.586 5.409 1.00 0.42 N ATOM 548 CA ASP A 54 1.404 19.993 4.829 1.00 0.55 C ATOM 549 C ASP A 54 1.091 19.386 3.467 1.00 0.45 C ATOM 550 O ASP A 54 1.954 18.763 2.846 1.00 0.52 O ATOM 551 CB ASP A 54 1.988 18.906 5.740 1.00 0.73 C ATOM 552 CG ASP A 54 2.033 19.304 7.199 1.00 0.74 C ATOM 553 OD1 ASP A 54 2.918 20.098 7.583 1.00 1.10 O ATOM 554 OD2 ASP A 54 1.183 18.817 7.969 1.00 0.65 O ATOM 0 H ASP A 54 -0.247 20.014 6.125 1.00 0.42 H new ATOM 0 HA ASP A 54 2.140 20.789 4.719 1.00 0.55 H new ATOM 0 HB2 ASP A 54 1.393 17.998 5.637 1.00 0.73 H new ATOM 0 HB3 ASP A 54 2.997 18.666 5.405 1.00 0.73 H new ATOM 559 N SER A 55 -0.155 19.571 3.018 1.00 0.36 N ATOM 560 CA SER A 55 -0.619 19.050 1.736 1.00 0.40 C ATOM 561 C SER A 55 -0.605 17.525 1.749 1.00 0.37 C ATOM 562 O SER A 55 -0.245 16.880 0.762 1.00 0.52 O ATOM 563 CB SER A 55 0.243 19.599 0.596 1.00 0.57 C ATOM 564 OG SER A 55 0.468 20.990 0.766 1.00 0.66 O ATOM 0 H SER A 55 -0.867 20.086 3.536 1.00 0.36 H new ATOM 0 HA SER A 55 -1.645 19.378 1.572 1.00 0.40 H new ATOM 0 HB2 SER A 55 1.196 19.072 0.567 1.00 0.57 H new ATOM 0 HB3 SER A 55 -0.250 19.419 -0.359 1.00 0.57 H new ATOM 0 HG SER A 55 1.022 21.324 0.030 1.00 0.66 H new ATOM 570 N LEU A 56 -1.013 16.962 2.881 1.00 0.28 N ATOM 571 CA LEU A 56 -1.051 15.518 3.050 1.00 0.31 C ATOM 572 C LEU A 56 -2.452 15.056 3.433 1.00 0.27 C ATOM 573 O LEU A 56 -3.093 15.645 4.306 1.00 0.30 O ATOM 574 CB LEU A 56 -0.060 15.080 4.132 1.00 0.38 C ATOM 575 CG LEU A 56 1.414 15.359 3.832 1.00 0.40 C ATOM 576 CD1 LEU A 56 2.280 15.030 5.041 1.00 0.49 C ATOM 577 CD2 LEU A 56 1.874 14.565 2.618 1.00 0.48 C ATOM 0 H LEU A 56 -1.323 17.489 3.698 1.00 0.28 H new ATOM 0 HA LEU A 56 -0.773 15.062 2.100 1.00 0.31 H new ATOM 0 HB2 LEU A 56 -0.323 15.580 5.064 1.00 0.38 H new ATOM 0 HB3 LEU A 56 -0.182 14.010 4.299 1.00 0.38 H new ATOM 0 HG LEU A 56 1.521 16.421 3.610 1.00 0.40 H new ATOM 0 HD11 LEU A 56 3.325 15.235 4.807 1.00 0.49 H new ATOM 0 HD12 LEU A 56 1.971 15.643 5.888 1.00 0.49 H new ATOM 0 HD13 LEU A 56 2.165 13.976 5.295 1.00 0.49 H new ATOM 0 HD21 LEU A 56 2.925 14.777 2.421 1.00 0.48 H new ATOM 0 HD22 LEU A 56 1.749 13.500 2.811 1.00 0.48 H new ATOM 0 HD23 LEU A 56 1.278 14.849 1.751 1.00 0.48 H new ATOM 589 N ILE A 57 -2.918 14.008 2.778 1.00 0.27 N ATOM 590 CA ILE A 57 -4.232 13.448 3.056 1.00 0.26 C ATOM 591 C ILE A 57 -4.169 12.565 4.298 1.00 0.24 C ATOM 592 O ILE A 57 -3.375 11.632 4.362 1.00 0.29 O ATOM 593 CB ILE A 57 -4.756 12.622 1.858 1.00 0.30 C ATOM 594 CG1 ILE A 57 -4.965 13.521 0.634 1.00 0.45 C ATOM 595 CG2 ILE A 57 -6.048 11.898 2.218 1.00 0.35 C ATOM 596 CD1 ILE A 57 -6.050 14.562 0.814 1.00 0.57 C ATOM 0 H ILE A 57 -2.402 13.523 2.044 1.00 0.27 H new ATOM 0 HA ILE A 57 -4.920 14.276 3.228 1.00 0.26 H new ATOM 0 HB ILE A 57 -4.005 11.871 1.611 1.00 0.30 H new ATOM 0 HG12 ILE A 57 -4.027 14.025 0.401 1.00 0.45 H new ATOM 0 HG13 ILE A 57 -5.213 12.897 -0.225 1.00 0.45 H new ATOM 0 HG21 ILE A 57 -6.395 11.325 1.359 1.00 0.35 H new ATOM 0 HG22 ILE A 57 -5.866 11.224 3.055 1.00 0.35 H new ATOM 0 HG23 ILE A 57 -6.808 12.627 2.499 1.00 0.35 H new ATOM 0 HD11 ILE A 57 -6.137 15.158 -0.095 1.00 0.57 H new ATOM 0 HD12 ILE A 57 -7.000 14.067 1.015 1.00 0.57 H new ATOM 0 HD13 ILE A 57 -5.795 15.212 1.651 1.00 0.57 H new ATOM 608 N HIS A 58 -4.989 12.869 5.287 1.00 0.25 N ATOM 609 CA HIS A 58 -5.004 12.100 6.520 1.00 0.27 C ATOM 610 C HIS A 58 -6.282 11.286 6.660 1.00 0.27 C ATOM 611 O HIS A 58 -7.390 11.818 6.564 1.00 0.33 O ATOM 612 CB HIS A 58 -4.855 13.018 7.734 1.00 0.32 C ATOM 613 CG HIS A 58 -3.436 13.282 8.132 1.00 0.39 C ATOM 614 ND1 HIS A 58 -2.863 12.761 9.273 1.00 0.51 N ATOM 615 CD2 HIS A 58 -2.476 14.032 7.540 1.00 0.48 C ATOM 616 CE1 HIS A 58 -1.616 13.179 9.369 1.00 0.61 C ATOM 617 NE2 HIS A 58 -1.356 13.954 8.332 1.00 0.59 N ATOM 0 H HIS A 58 -5.654 13.642 5.262 1.00 0.25 H new ATOM 0 HA HIS A 58 -4.159 11.413 6.477 1.00 0.27 H new ATOM 0 HB2 HIS A 58 -5.343 13.968 7.519 1.00 0.32 H new ATOM 0 HB3 HIS A 58 -5.381 12.573 8.579 1.00 0.32 H new ATOM 0 HD1 HIS A 58 -3.331 12.147 9.940 1.00 0.51 H new ATOM 0 HD2 HIS A 58 -2.573 14.587 6.619 1.00 0.48 H new ATOM 0 HE1 HIS A 58 -0.925 12.930 10.161 1.00 0.61 H new ATOM 626 N PHE A 59 -6.108 9.992 6.861 1.00 0.27 N ATOM 627 CA PHE A 59 -7.215 9.076 7.071 1.00 0.28 C ATOM 628 C PHE A 59 -7.273 8.773 8.559 1.00 0.31 C ATOM 629 O PHE A 59 -6.451 8.014 9.076 1.00 0.36 O ATOM 630 CB PHE A 59 -7.005 7.792 6.263 1.00 0.31 C ATOM 631 CG PHE A 59 -8.107 6.780 6.411 1.00 0.45 C ATOM 632 CD1 PHE A 59 -9.300 6.930 5.723 1.00 0.69 C ATOM 633 CD2 PHE A 59 -7.944 5.673 7.229 1.00 0.63 C ATOM 634 CE1 PHE A 59 -10.311 5.997 5.852 1.00 0.92 C ATOM 635 CE2 PHE A 59 -8.950 4.738 7.361 1.00 0.84 C ATOM 636 CZ PHE A 59 -10.134 4.899 6.672 1.00 0.94 C ATOM 0 H PHE A 59 -5.191 9.545 6.883 1.00 0.27 H new ATOM 0 HA PHE A 59 -8.153 9.519 6.737 1.00 0.28 H new ATOM 0 HB2 PHE A 59 -6.906 8.052 5.209 1.00 0.31 H new ATOM 0 HB3 PHE A 59 -6.064 7.334 6.568 1.00 0.31 H new ATOM 0 HD1 PHE A 59 -9.441 7.785 5.079 1.00 0.69 H new ATOM 0 HD2 PHE A 59 -7.018 5.541 7.770 1.00 0.63 H new ATOM 0 HE1 PHE A 59 -11.238 6.126 5.313 1.00 0.92 H new ATOM 0 HE2 PHE A 59 -8.811 3.881 8.003 1.00 0.84 H new ATOM 0 HZ PHE A 59 -10.922 4.167 6.773 1.00 0.94 H new ATOM 646 N CYS A 60 -8.213 9.391 9.251 1.00 0.33 N ATOM 647 CA CYS A 60 -8.314 9.209 10.686 1.00 0.38 C ATOM 648 C CYS A 60 -9.683 8.692 11.113 1.00 0.38 C ATOM 649 O CYS A 60 -10.703 8.984 10.484 1.00 0.40 O ATOM 650 CB CYS A 60 -8.012 10.535 11.387 1.00 0.43 C ATOM 651 SG CYS A 60 -6.754 11.544 10.562 1.00 0.46 S ATOM 0 H CYS A 60 -8.910 10.017 8.847 1.00 0.33 H new ATOM 0 HA CYS A 60 -7.584 8.454 10.977 1.00 0.38 H new ATOM 0 HB2 CYS A 60 -8.934 11.112 11.460 1.00 0.43 H new ATOM 0 HB3 CYS A 60 -7.684 10.328 12.406 1.00 0.43 H new ATOM 0 HG CYS A 60 -5.618 11.411 11.179 1.00 0.46 H new ATOM 657 N TRP A 61 -9.686 7.919 12.191 1.00 0.39 N ATOM 658 CA TRP A 61 -10.907 7.363 12.749 1.00 0.39 C ATOM 659 C TRP A 61 -11.169 8.018 14.096 1.00 0.42 C ATOM 660 O TRP A 61 -10.391 7.842 15.038 1.00 0.45 O ATOM 661 CB TRP A 61 -10.781 5.843 12.907 1.00 0.40 C ATOM 662 CG TRP A 61 -12.064 5.152 13.255 1.00 0.41 C ATOM 663 CD1 TRP A 61 -13.008 4.695 12.384 1.00 0.43 C ATOM 664 CD2 TRP A 61 -12.535 4.821 14.568 1.00 0.43 C ATOM 665 NE1 TRP A 61 -14.042 4.108 13.070 1.00 0.45 N ATOM 666 CE2 TRP A 61 -13.772 4.173 14.413 1.00 0.45 C ATOM 667 CE3 TRP A 61 -12.032 5.011 15.856 1.00 0.46 C ATOM 668 CZ2 TRP A 61 -14.514 3.713 15.498 1.00 0.49 C ATOM 669 CZ3 TRP A 61 -12.769 4.556 16.933 1.00 0.51 C ATOM 670 CH2 TRP A 61 -13.998 3.915 16.747 1.00 0.52 C ATOM 0 H TRP A 61 -8.841 7.661 12.701 1.00 0.39 H new ATOM 0 HA TRP A 61 -11.741 7.561 12.076 1.00 0.39 H new ATOM 0 HB2 TRP A 61 -10.396 5.423 11.978 1.00 0.40 H new ATOM 0 HB3 TRP A 61 -10.045 5.630 13.682 1.00 0.40 H new ATOM 0 HD1 TRP A 61 -12.951 4.782 11.309 1.00 0.43 H new ATOM 0 HE1 TRP A 61 -14.874 3.692 12.650 1.00 0.45 H new ATOM 0 HE3 TRP A 61 -11.084 5.505 16.008 1.00 0.46 H new ATOM 0 HZ2 TRP A 61 -15.462 3.215 15.357 1.00 0.49 H new ATOM 0 HZ3 TRP A 61 -12.390 4.698 17.934 1.00 0.51 H new ATOM 0 HH2 TRP A 61 -14.551 3.572 17.609 1.00 0.52 H new ATOM 681 N LYS A 62 -12.238 8.790 14.183 1.00 0.46 N ATOM 682 CA LYS A 62 -12.571 9.482 15.418 1.00 0.50 C ATOM 683 C LYS A 62 -13.711 8.787 16.155 1.00 0.51 C ATOM 684 O LYS A 62 -14.732 8.434 15.558 1.00 0.51 O ATOM 685 CB LYS A 62 -12.945 10.937 15.121 1.00 0.57 C ATOM 686 CG LYS A 62 -13.287 11.759 16.358 1.00 0.63 C ATOM 687 CD LYS A 62 -13.592 13.206 15.997 1.00 0.75 C ATOM 688 CE LYS A 62 -14.017 14.005 17.223 1.00 0.93 C ATOM 689 NZ LYS A 62 -14.364 15.410 16.887 1.00 1.04 N ATOM 0 H LYS A 62 -12.890 8.954 13.416 1.00 0.46 H new ATOM 0 HA LYS A 62 -11.692 9.461 16.063 1.00 0.50 H new ATOM 0 HB2 LYS A 62 -12.116 11.414 14.599 1.00 0.57 H new ATOM 0 HB3 LYS A 62 -13.798 10.950 14.443 1.00 0.57 H new ATOM 0 HG2 LYS A 62 -14.147 11.319 16.862 1.00 0.63 H new ATOM 0 HG3 LYS A 62 -12.454 11.726 17.061 1.00 0.63 H new ATOM 0 HD2 LYS A 62 -12.711 13.665 15.549 1.00 0.75 H new ATOM 0 HD3 LYS A 62 -14.383 13.237 15.248 1.00 0.75 H new ATOM 0 HE2 LYS A 62 -14.876 13.522 17.689 1.00 0.93 H new ATOM 0 HE3 LYS A 62 -13.211 13.998 17.956 1.00 0.93 H new ATOM 0 HZ1 LYS A 62 -14.647 15.914 17.752 1.00 1.04 H new ATOM 0 HZ2 LYS A 62 -13.537 15.881 16.466 1.00 1.04 H new ATOM 0 HZ3 LYS A 62 -15.151 15.420 16.207 1.00 1.04 H new ATOM 703 N ASP A 63 -13.515 8.585 17.452 1.00 0.53 N ATOM 704 CA ASP A 63 -14.521 7.959 18.298 1.00 0.55 C ATOM 705 C ASP A 63 -15.659 8.949 18.544 1.00 0.57 C ATOM 706 O ASP A 63 -15.420 10.147 18.691 1.00 0.62 O ATOM 707 CB ASP A 63 -13.884 7.514 19.621 1.00 0.61 C ATOM 708 CG ASP A 63 -14.866 6.831 20.543 1.00 0.65 C ATOM 709 OD1 ASP A 63 -15.125 5.621 20.364 1.00 1.09 O ATOM 710 OD2 ASP A 63 -15.394 7.501 21.449 1.00 0.92 O ATOM 0 H ASP A 63 -12.661 8.848 17.943 1.00 0.53 H new ATOM 0 HA ASP A 63 -14.926 7.077 17.803 1.00 0.55 H new ATOM 0 HB2 ASP A 63 -13.058 6.835 19.411 1.00 0.61 H new ATOM 0 HB3 ASP A 63 -13.462 8.383 20.126 1.00 0.61 H new ATOM 715 N ARG A 64 -16.891 8.463 18.580 1.00 0.58 N ATOM 716 CA ARG A 64 -18.037 9.343 18.770 1.00 0.61 C ATOM 717 C ARG A 64 -18.438 9.478 20.238 1.00 0.66 C ATOM 718 O ARG A 64 -19.428 10.143 20.554 1.00 0.75 O ATOM 719 CB ARG A 64 -19.226 8.860 17.938 1.00 0.63 C ATOM 720 CG ARG A 64 -19.081 9.159 16.453 1.00 0.63 C ATOM 721 CD ARG A 64 -20.242 8.593 15.652 1.00 0.65 C ATOM 722 NE ARG A 64 -21.501 9.285 15.931 1.00 0.78 N ATOM 723 CZ ARG A 64 -22.706 8.823 15.592 1.00 0.91 C ATOM 724 NH1 ARG A 64 -22.820 7.666 14.947 1.00 0.99 N ATOM 725 NH2 ARG A 64 -23.792 9.525 15.888 1.00 1.14 N ATOM 0 H ARG A 64 -17.123 7.475 18.481 1.00 0.58 H new ATOM 0 HA ARG A 64 -17.735 10.333 18.429 1.00 0.61 H new ATOM 0 HB2 ARG A 64 -19.344 7.785 18.076 1.00 0.63 H new ATOM 0 HB3 ARG A 64 -20.136 9.331 18.309 1.00 0.63 H new ATOM 0 HG2 ARG A 64 -19.026 10.237 16.302 1.00 0.63 H new ATOM 0 HG3 ARG A 64 -18.145 8.737 16.086 1.00 0.63 H new ATOM 0 HD2 ARG A 64 -20.017 8.668 14.588 1.00 0.65 H new ATOM 0 HD3 ARG A 64 -20.355 7.533 15.880 1.00 0.65 H new ATOM 0 HE ARG A 64 -21.454 10.180 16.417 1.00 0.78 H new ATOM 0 HH11 ARG A 64 -21.985 7.130 14.710 1.00 0.99 H new ATOM 0 HH12 ARG A 64 -23.742 7.315 14.689 1.00 0.99 H new ATOM 0 HH21 ARG A 64 -23.706 10.417 16.374 1.00 1.14 H new ATOM 0 HH22 ARG A 64 -24.713 9.172 15.629 1.00 1.14 H new ATOM 739 N THR A 65 -17.688 8.858 21.137 1.00 0.68 N ATOM 740 CA THR A 65 -17.992 8.948 22.557 1.00 0.74 C ATOM 741 C THR A 65 -17.015 9.896 23.249 1.00 0.75 C ATOM 742 O THR A 65 -17.422 10.889 23.856 1.00 0.83 O ATOM 743 CB THR A 65 -17.950 7.570 23.243 1.00 0.76 C ATOM 744 OG1 THR A 65 -18.426 6.557 22.346 1.00 0.88 O ATOM 745 CG2 THR A 65 -18.802 7.564 24.500 1.00 0.93 C ATOM 0 H THR A 65 -16.871 8.291 20.911 1.00 0.68 H new ATOM 0 HA THR A 65 -19.006 9.337 22.647 1.00 0.74 H new ATOM 0 HB THR A 65 -16.915 7.362 23.516 1.00 0.76 H new ATOM 0 HG1 THR A 65 -18.394 5.684 22.791 1.00 0.88 H new ATOM 0 HG21 THR A 65 -18.756 6.580 24.966 1.00 0.93 H new ATOM 0 HG22 THR A 65 -18.427 8.314 25.197 1.00 0.93 H new ATOM 0 HG23 THR A 65 -19.835 7.794 24.240 1.00 0.93 H new ATOM 753 N SER A 66 -15.728 9.597 23.129 1.00 0.71 N ATOM 754 CA SER A 66 -14.689 10.415 23.739 1.00 0.75 C ATOM 755 C SER A 66 -14.269 11.546 22.805 1.00 0.73 C ATOM 756 O SER A 66 -13.831 12.607 23.252 1.00 0.79 O ATOM 757 CB SER A 66 -13.475 9.551 24.085 1.00 0.75 C ATOM 758 OG SER A 66 -13.073 8.768 22.973 1.00 0.75 O ATOM 0 H SER A 66 -15.378 8.790 22.612 1.00 0.71 H new ATOM 0 HA SER A 66 -15.092 10.852 24.652 1.00 0.75 H new ATOM 0 HB2 SER A 66 -12.650 10.188 24.403 1.00 0.75 H new ATOM 0 HB3 SER A 66 -13.716 8.899 24.925 1.00 0.75 H new ATOM 0 HG SER A 66 -12.295 8.226 23.219 1.00 0.75 H new ATOM 764 N GLY A 67 -14.408 11.306 21.508 1.00 0.67 N ATOM 765 CA GLY A 67 -14.034 12.303 20.525 1.00 0.67 C ATOM 766 C GLY A 67 -12.554 12.257 20.214 1.00 0.65 C ATOM 767 O GLY A 67 -11.995 13.193 19.637 1.00 0.70 O ATOM 0 H GLY A 67 -14.774 10.437 21.119 1.00 0.67 H new ATOM 0 HA2 GLY A 67 -14.603 12.142 19.609 1.00 0.67 H new ATOM 0 HA3 GLY A 67 -14.297 13.294 20.894 1.00 0.67 H new ATOM 771 N ASN A 68 -11.917 11.159 20.595 1.00 0.63 N ATOM 772 CA ASN A 68 -10.491 10.987 20.369 1.00 0.63 C ATOM 773 C ASN A 68 -10.231 10.340 19.018 1.00 0.58 C ATOM 774 O ASN A 68 -11.034 9.537 18.535 1.00 0.58 O ATOM 775 CB ASN A 68 -9.865 10.143 21.486 1.00 0.68 C ATOM 776 CG ASN A 68 -9.520 10.963 22.717 1.00 0.85 C ATOM 777 OD1 ASN A 68 -9.112 12.120 22.616 1.00 1.01 O ATOM 778 ND2 ASN A 68 -9.679 10.369 23.891 1.00 1.01 N ATOM 0 H ASN A 68 -12.367 10.373 21.063 1.00 0.63 H new ATOM 0 HA ASN A 68 -10.029 11.974 20.375 1.00 0.63 H new ATOM 0 HB2 ASN A 68 -10.556 9.348 21.766 1.00 0.68 H new ATOM 0 HB3 ASN A 68 -8.962 9.662 21.110 1.00 0.68 H new ATOM 0 HD21 ASN A 68 -9.461 10.872 24.751 1.00 1.01 H new ATOM 0 HD22 ASN A 68 -10.020 9.409 23.935 1.00 1.01 H new ATOM 785 N VAL A 69 -9.114 10.704 18.408 1.00 0.56 N ATOM 786 CA VAL A 69 -8.732 10.166 17.112 1.00 0.53 C ATOM 787 C VAL A 69 -7.751 9.010 17.291 1.00 0.51 C ATOM 788 O VAL A 69 -6.558 9.220 17.527 1.00 0.59 O ATOM 789 CB VAL A 69 -8.102 11.251 16.210 1.00 0.57 C ATOM 790 CG1 VAL A 69 -7.721 10.668 14.859 1.00 0.60 C ATOM 791 CG2 VAL A 69 -9.056 12.428 16.042 1.00 0.63 C ATOM 0 H VAL A 69 -8.451 11.376 18.794 1.00 0.56 H new ATOM 0 HA VAL A 69 -9.637 9.804 16.624 1.00 0.53 H new ATOM 0 HB VAL A 69 -7.194 11.615 16.692 1.00 0.57 H new ATOM 0 HG11 VAL A 69 -7.279 11.447 14.238 1.00 0.60 H new ATOM 0 HG12 VAL A 69 -6.999 9.864 15.000 1.00 0.60 H new ATOM 0 HG13 VAL A 69 -8.611 10.274 14.368 1.00 0.60 H new ATOM 0 HG21 VAL A 69 -8.595 13.182 15.404 1.00 0.63 H new ATOM 0 HG22 VAL A 69 -9.983 12.083 15.584 1.00 0.63 H new ATOM 0 HG23 VAL A 69 -9.273 12.862 17.018 1.00 0.63 H new ATOM 801 N GLU A 70 -8.263 7.790 17.174 1.00 0.49 N ATOM 802 CA GLU A 70 -7.449 6.594 17.346 1.00 0.51 C ATOM 803 C GLU A 70 -6.515 6.378 16.166 1.00 0.50 C ATOM 804 O GLU A 70 -5.293 6.460 16.300 1.00 0.62 O ATOM 805 CB GLU A 70 -8.338 5.359 17.520 1.00 0.55 C ATOM 806 CG GLU A 70 -9.226 5.409 18.746 1.00 0.81 C ATOM 807 CD GLU A 70 -9.944 4.100 19.000 1.00 0.68 C ATOM 808 OE1 GLU A 70 -9.697 3.115 18.261 1.00 0.69 O ATOM 809 OE2 GLU A 70 -10.757 4.044 19.940 1.00 0.71 O ATOM 0 H GLU A 70 -9.243 7.604 16.960 1.00 0.49 H new ATOM 0 HA GLU A 70 -6.846 6.740 18.242 1.00 0.51 H new ATOM 0 HB2 GLU A 70 -8.964 5.246 16.635 1.00 0.55 H new ATOM 0 HB3 GLU A 70 -7.705 4.473 17.578 1.00 0.55 H new ATOM 0 HG2 GLU A 70 -8.622 5.663 19.617 1.00 0.81 H new ATOM 0 HG3 GLU A 70 -9.961 6.205 18.625 1.00 0.81 H new ATOM 816 N ASP A 71 -7.099 6.107 15.009 1.00 0.47 N ATOM 817 CA ASP A 71 -6.321 5.841 13.807 1.00 0.46 C ATOM 818 C ASP A 71 -5.993 7.115 13.056 1.00 0.43 C ATOM 819 O ASP A 71 -6.789 8.053 13.024 1.00 0.46 O ATOM 820 CB ASP A 71 -7.069 4.877 12.887 1.00 0.51 C ATOM 821 CG ASP A 71 -7.136 3.475 13.452 1.00 0.57 C ATOM 822 OD1 ASP A 71 -6.115 2.756 13.388 1.00 0.73 O ATOM 823 OD2 ASP A 71 -8.203 3.088 13.974 1.00 0.61 O ATOM 0 H ASP A 71 -8.109 6.065 14.876 1.00 0.47 H new ATOM 0 HA ASP A 71 -5.383 5.385 14.124 1.00 0.46 H new ATOM 0 HB2 ASP A 71 -8.081 5.248 12.722 1.00 0.51 H new ATOM 0 HB3 ASP A 71 -6.576 4.851 11.915 1.00 0.51 H new ATOM 828 N ASP A 72 -4.812 7.129 12.456 1.00 0.43 N ATOM 829 CA ASP A 72 -4.334 8.266 11.682 1.00 0.42 C ATOM 830 C ASP A 72 -3.249 7.811 10.716 1.00 0.42 C ATOM 831 O ASP A 72 -2.160 7.420 11.136 1.00 0.52 O ATOM 832 CB ASP A 72 -3.784 9.366 12.597 1.00 0.48 C ATOM 833 CG ASP A 72 -3.132 10.492 11.818 1.00 0.59 C ATOM 834 OD1 ASP A 72 -3.866 11.347 11.271 1.00 0.99 O ATOM 835 OD2 ASP A 72 -1.885 10.532 11.747 1.00 1.05 O ATOM 0 H ASP A 72 -4.155 6.349 12.492 1.00 0.43 H new ATOM 0 HA ASP A 72 -5.175 8.676 11.123 1.00 0.42 H new ATOM 0 HB2 ASP A 72 -4.595 9.769 13.204 1.00 0.48 H new ATOM 0 HB3 ASP A 72 -3.056 8.934 13.284 1.00 0.48 H new ATOM 840 N LEU A 73 -3.560 7.830 9.433 1.00 0.36 N ATOM 841 CA LEU A 73 -2.607 7.420 8.413 1.00 0.38 C ATOM 842 C LEU A 73 -2.581 8.424 7.271 1.00 0.34 C ATOM 843 O LEU A 73 -3.601 9.030 6.948 1.00 0.42 O ATOM 844 CB LEU A 73 -2.960 6.030 7.876 1.00 0.44 C ATOM 845 CG LEU A 73 -2.734 4.874 8.853 1.00 0.66 C ATOM 846 CD1 LEU A 73 -3.358 3.595 8.316 1.00 0.93 C ATOM 847 CD2 LEU A 73 -1.250 4.674 9.113 1.00 0.92 C ATOM 0 H LEU A 73 -4.466 8.125 9.070 1.00 0.36 H new ATOM 0 HA LEU A 73 -1.618 7.381 8.869 1.00 0.38 H new ATOM 0 HB2 LEU A 73 -4.008 6.030 7.575 1.00 0.44 H new ATOM 0 HB3 LEU A 73 -2.371 5.845 6.978 1.00 0.44 H new ATOM 0 HG LEU A 73 -3.216 5.124 9.798 1.00 0.66 H new ATOM 0 HD11 LEU A 73 -3.188 2.783 9.023 1.00 0.93 H new ATOM 0 HD12 LEU A 73 -4.430 3.741 8.182 1.00 0.93 H new ATOM 0 HD13 LEU A 73 -2.904 3.343 7.358 1.00 0.93 H new ATOM 0 HD21 LEU A 73 -1.111 3.848 9.810 1.00 0.92 H new ATOM 0 HD22 LEU A 73 -0.744 4.447 8.175 1.00 0.92 H new ATOM 0 HD23 LEU A 73 -0.830 5.584 9.541 1.00 0.92 H new ATOM 859 N ILE A 74 -1.413 8.612 6.675 1.00 0.29 N ATOM 860 CA ILE A 74 -1.267 9.535 5.558 1.00 0.28 C ATOM 861 C ILE A 74 -1.520 8.801 4.244 1.00 0.30 C ATOM 862 O ILE A 74 -0.758 7.920 3.856 1.00 0.51 O ATOM 863 CB ILE A 74 0.134 10.181 5.530 1.00 0.30 C ATOM 864 CG1 ILE A 74 0.587 10.546 6.946 1.00 0.43 C ATOM 865 CG2 ILE A 74 0.120 11.417 4.648 1.00 0.33 C ATOM 866 CD1 ILE A 74 2.042 10.955 7.032 1.00 0.59 C ATOM 0 H ILE A 74 -0.552 8.138 6.946 1.00 0.29 H new ATOM 0 HA ILE A 74 -2.001 10.331 5.686 1.00 0.28 H new ATOM 0 HB ILE A 74 0.840 9.460 5.118 1.00 0.30 H new ATOM 0 HG12 ILE A 74 -0.033 11.362 7.318 1.00 0.43 H new ATOM 0 HG13 ILE A 74 0.419 9.693 7.603 1.00 0.43 H new ATOM 0 HG21 ILE A 74 1.113 11.866 4.635 1.00 0.33 H new ATOM 0 HG22 ILE A 74 -0.165 11.137 3.634 1.00 0.33 H new ATOM 0 HG23 ILE A 74 -0.598 12.137 5.041 1.00 0.33 H new ATOM 0 HD11 ILE A 74 2.291 11.199 8.065 1.00 0.59 H new ATOM 0 HD12 ILE A 74 2.672 10.133 6.692 1.00 0.59 H new ATOM 0 HD13 ILE A 74 2.212 11.828 6.402 1.00 0.59 H new ATOM 878 N ILE A 75 -2.589 9.168 3.564 1.00 0.24 N ATOM 879 CA ILE A 75 -2.966 8.513 2.319 1.00 0.23 C ATOM 880 C ILE A 75 -2.308 9.163 1.103 1.00 0.24 C ATOM 881 O ILE A 75 -2.178 10.385 1.029 1.00 0.26 O ATOM 882 CB ILE A 75 -4.498 8.522 2.135 1.00 0.27 C ATOM 883 CG1 ILE A 75 -5.185 7.904 3.356 1.00 0.28 C ATOM 884 CG2 ILE A 75 -4.887 7.774 0.872 1.00 0.32 C ATOM 885 CD1 ILE A 75 -4.834 6.447 3.592 1.00 0.31 C ATOM 0 H ILE A 75 -3.216 9.919 3.851 1.00 0.24 H new ATOM 0 HA ILE A 75 -2.612 7.485 2.389 1.00 0.23 H new ATOM 0 HB ILE A 75 -4.828 9.556 2.038 1.00 0.27 H new ATOM 0 HG12 ILE A 75 -4.915 8.480 4.241 1.00 0.28 H new ATOM 0 HG13 ILE A 75 -6.265 7.992 3.235 1.00 0.28 H new ATOM 0 HG21 ILE A 75 -5.971 7.791 0.759 1.00 0.32 H new ATOM 0 HG22 ILE A 75 -4.424 8.252 0.009 1.00 0.32 H new ATOM 0 HG23 ILE A 75 -4.545 6.741 0.941 1.00 0.32 H new ATOM 0 HD11 ILE A 75 -5.361 6.084 4.475 1.00 0.31 H new ATOM 0 HD12 ILE A 75 -5.129 5.857 2.725 1.00 0.31 H new ATOM 0 HD13 ILE A 75 -3.759 6.352 3.747 1.00 0.31 H new ATOM 897 N PHE A 76 -1.894 8.326 0.156 1.00 0.27 N ATOM 898 CA PHE A 76 -1.261 8.786 -1.069 1.00 0.31 C ATOM 899 C PHE A 76 -1.859 8.046 -2.262 1.00 0.32 C ATOM 900 O PHE A 76 -2.269 6.890 -2.131 1.00 0.35 O ATOM 901 CB PHE A 76 0.251 8.548 -1.021 1.00 0.34 C ATOM 902 CG PHE A 76 0.931 9.179 0.157 1.00 0.39 C ATOM 903 CD1 PHE A 76 1.310 10.511 0.130 1.00 0.50 C ATOM 904 CD2 PHE A 76 1.198 8.435 1.291 1.00 0.40 C ATOM 905 CE1 PHE A 76 1.947 11.086 1.213 1.00 0.58 C ATOM 906 CE2 PHE A 76 1.833 9.004 2.378 1.00 0.50 C ATOM 907 CZ PHE A 76 2.208 10.332 2.338 1.00 0.58 C ATOM 0 H PHE A 76 -1.989 7.312 0.219 1.00 0.27 H new ATOM 0 HA PHE A 76 -1.440 9.856 -1.172 1.00 0.31 H new ATOM 0 HB2 PHE A 76 0.439 7.474 -1.004 1.00 0.34 H new ATOM 0 HB3 PHE A 76 0.699 8.935 -1.936 1.00 0.34 H new ATOM 0 HD1 PHE A 76 1.105 11.107 -0.747 1.00 0.50 H new ATOM 0 HD2 PHE A 76 0.907 7.396 1.328 1.00 0.40 H new ATOM 0 HE1 PHE A 76 2.240 12.125 1.179 1.00 0.58 H new ATOM 0 HE2 PHE A 76 2.036 8.411 3.258 1.00 0.50 H new ATOM 0 HZ PHE A 76 2.705 10.780 3.186 1.00 0.58 H new ATOM 917 N PRO A 77 -1.929 8.690 -3.436 1.00 0.36 N ATOM 918 CA PRO A 77 -2.475 8.065 -4.646 1.00 0.38 C ATOM 919 C PRO A 77 -1.563 6.973 -5.203 1.00 0.33 C ATOM 920 O PRO A 77 -0.517 6.678 -4.625 1.00 0.33 O ATOM 921 CB PRO A 77 -2.567 9.224 -5.650 1.00 0.45 C ATOM 922 CG PRO A 77 -2.353 10.469 -4.857 1.00 0.55 C ATOM 923 CD PRO A 77 -1.508 10.075 -3.685 1.00 0.44 C ATOM 0 HA PRO A 77 -3.428 7.577 -4.443 1.00 0.38 H new ATOM 0 HB2 PRO A 77 -1.814 9.124 -6.432 1.00 0.45 H new ATOM 0 HB3 PRO A 77 -3.539 9.237 -6.143 1.00 0.45 H new ATOM 0 HG2 PRO A 77 -1.857 11.232 -5.456 1.00 0.55 H new ATOM 0 HG3 PRO A 77 -3.303 10.890 -4.528 1.00 0.55 H new ATOM 0 HD2 PRO A 77 -0.444 10.140 -3.912 1.00 0.44 H new ATOM 0 HD3 PRO A 77 -1.689 10.715 -2.821 1.00 0.44 H new ATOM 931 N ASP A 78 -1.972 6.394 -6.339 1.00 0.40 N ATOM 932 CA ASP A 78 -1.223 5.328 -7.036 1.00 0.46 C ATOM 933 C ASP A 78 -0.831 4.195 -6.089 1.00 0.45 C ATOM 934 O ASP A 78 0.198 3.543 -6.287 1.00 0.60 O ATOM 935 CB ASP A 78 0.045 5.861 -7.754 1.00 0.53 C ATOM 936 CG ASP A 78 0.199 7.370 -7.722 1.00 0.98 C ATOM 937 OD1 ASP A 78 -0.507 8.069 -8.489 1.00 1.34 O ATOM 938 OD2 ASP A 78 1.040 7.870 -6.939 1.00 1.36 O ATOM 0 H ASP A 78 -2.840 6.651 -6.809 1.00 0.40 H new ATOM 0 HA ASP A 78 -1.905 4.939 -7.792 1.00 0.46 H new ATOM 0 HB2 ASP A 78 0.924 5.409 -7.295 1.00 0.53 H new ATOM 0 HB3 ASP A 78 0.024 5.533 -8.793 1.00 0.53 H new ATOM 943 N ASP A 79 -1.659 3.933 -5.086 1.00 0.53 N ATOM 944 CA ASP A 79 -1.350 2.887 -4.114 1.00 0.61 C ATOM 945 C ASP A 79 -2.593 2.420 -3.369 1.00 0.59 C ATOM 946 O ASP A 79 -2.896 1.228 -3.328 1.00 1.11 O ATOM 947 CB ASP A 79 -0.325 3.410 -3.108 1.00 0.80 C ATOM 948 CG ASP A 79 0.647 2.341 -2.654 1.00 1.12 C ATOM 949 OD1 ASP A 79 0.243 1.457 -1.872 1.00 1.74 O ATOM 950 OD2 ASP A 79 1.826 2.385 -3.088 1.00 1.44 O ATOM 0 H ASP A 79 -2.539 4.422 -4.923 1.00 0.53 H new ATOM 0 HA ASP A 79 -0.945 2.035 -4.661 1.00 0.61 H new ATOM 0 HB2 ASP A 79 0.231 4.234 -3.557 1.00 0.80 H new ATOM 0 HB3 ASP A 79 -0.847 3.813 -2.240 1.00 0.80 H new ATOM 955 N CYS A 80 -3.309 3.368 -2.785 1.00 0.50 N ATOM 956 CA CYS A 80 -4.503 3.066 -2.007 1.00 0.46 C ATOM 957 C CYS A 80 -5.653 2.546 -2.872 1.00 0.43 C ATOM 958 O CYS A 80 -5.914 3.058 -3.964 1.00 0.60 O ATOM 959 CB CYS A 80 -4.933 4.312 -1.241 1.00 0.63 C ATOM 960 SG CYS A 80 -3.596 5.049 -0.274 1.00 0.90 S ATOM 0 H CYS A 80 -3.082 4.361 -2.835 1.00 0.50 H new ATOM 0 HA CYS A 80 -4.253 2.266 -1.310 1.00 0.46 H new ATOM 0 HB2 CYS A 80 -5.313 5.051 -1.946 1.00 0.63 H new ATOM 0 HB3 CYS A 80 -5.756 4.055 -0.574 1.00 0.63 H new ATOM 0 HG CYS A 80 -3.143 6.100 -0.891 1.00 0.90 H new ATOM 966 N GLU A 81 -6.327 1.518 -2.362 1.00 0.34 N ATOM 967 CA GLU A 81 -7.452 0.900 -3.051 1.00 0.39 C ATOM 968 C GLU A 81 -8.552 0.548 -2.049 1.00 0.36 C ATOM 969 O GLU A 81 -8.323 -0.211 -1.104 1.00 0.45 O ATOM 970 CB GLU A 81 -6.984 -0.358 -3.787 1.00 0.49 C ATOM 971 CG GLU A 81 -8.055 -1.007 -4.650 1.00 0.74 C ATOM 972 CD GLU A 81 -7.620 -2.351 -5.200 1.00 0.94 C ATOM 973 OE1 GLU A 81 -6.655 -2.390 -5.999 1.00 1.32 O ATOM 974 OE2 GLU A 81 -8.238 -3.379 -4.838 1.00 1.15 O ATOM 0 H GLU A 81 -6.108 1.092 -1.461 1.00 0.34 H new ATOM 0 HA GLU A 81 -7.855 1.605 -3.778 1.00 0.39 H new ATOM 0 HB2 GLU A 81 -6.131 -0.102 -4.416 1.00 0.49 H new ATOM 0 HB3 GLU A 81 -6.633 -1.085 -3.055 1.00 0.49 H new ATOM 0 HG2 GLU A 81 -8.963 -1.135 -4.061 1.00 0.74 H new ATOM 0 HG3 GLU A 81 -8.303 -0.342 -5.477 1.00 0.74 H new ATOM 981 N PHE A 82 -9.734 1.113 -2.243 1.00 0.34 N ATOM 982 CA PHE A 82 -10.870 0.854 -1.361 1.00 0.32 C ATOM 983 C PHE A 82 -11.975 0.138 -2.137 1.00 0.33 C ATOM 984 O PHE A 82 -12.165 0.397 -3.328 1.00 0.42 O ATOM 985 CB PHE A 82 -11.386 2.177 -0.780 1.00 0.35 C ATOM 986 CG PHE A 82 -12.411 2.024 0.311 1.00 0.34 C ATOM 987 CD1 PHE A 82 -12.158 1.226 1.416 1.00 0.43 C ATOM 988 CD2 PHE A 82 -13.624 2.687 0.234 1.00 0.44 C ATOM 989 CE1 PHE A 82 -13.097 1.091 2.422 1.00 0.48 C ATOM 990 CE2 PHE A 82 -14.566 2.555 1.235 1.00 0.47 C ATOM 991 CZ PHE A 82 -14.302 1.757 2.329 1.00 0.43 C ATOM 0 H PHE A 82 -9.936 1.758 -3.007 1.00 0.34 H new ATOM 0 HA PHE A 82 -10.553 0.213 -0.538 1.00 0.32 H new ATOM 0 HB2 PHE A 82 -10.540 2.742 -0.389 1.00 0.35 H new ATOM 0 HB3 PHE A 82 -11.819 2.769 -1.587 1.00 0.35 H new ATOM 0 HD1 PHE A 82 -11.216 0.703 1.492 1.00 0.43 H new ATOM 0 HD2 PHE A 82 -13.836 3.315 -0.619 1.00 0.44 H new ATOM 0 HE1 PHE A 82 -12.888 0.466 3.278 1.00 0.48 H new ATOM 0 HE2 PHE A 82 -15.509 3.076 1.162 1.00 0.47 H new ATOM 0 HZ PHE A 82 -15.038 1.654 3.112 1.00 0.43 H new ATOM 1001 N LYS A 83 -12.689 -0.773 -1.473 1.00 0.34 N ATOM 1002 CA LYS A 83 -13.764 -1.518 -2.119 1.00 0.38 C ATOM 1003 C LYS A 83 -14.635 -2.234 -1.091 1.00 0.37 C ATOM 1004 O LYS A 83 -14.341 -2.217 0.107 1.00 0.38 O ATOM 1005 CB LYS A 83 -13.180 -2.539 -3.098 1.00 0.46 C ATOM 1006 CG LYS A 83 -12.288 -3.573 -2.430 1.00 0.53 C ATOM 1007 CD LYS A 83 -11.440 -4.317 -3.444 1.00 0.69 C ATOM 1008 CE LYS A 83 -10.488 -5.283 -2.762 1.00 1.06 C ATOM 1009 NZ LYS A 83 -9.291 -5.563 -3.591 1.00 1.44 N ATOM 0 H LYS A 83 -12.541 -1.010 -0.492 1.00 0.34 H new ATOM 0 HA LYS A 83 -14.387 -0.806 -2.661 1.00 0.38 H new ATOM 0 HB2 LYS A 83 -13.996 -3.050 -3.609 1.00 0.46 H new ATOM 0 HB3 LYS A 83 -12.606 -2.013 -3.861 1.00 0.46 H new ATOM 0 HG2 LYS A 83 -11.640 -3.081 -1.704 1.00 0.53 H new ATOM 0 HG3 LYS A 83 -12.904 -4.283 -1.878 1.00 0.53 H new ATOM 0 HD2 LYS A 83 -12.086 -4.864 -4.131 1.00 0.69 H new ATOM 0 HD3 LYS A 83 -10.872 -3.603 -4.040 1.00 0.69 H new ATOM 0 HE2 LYS A 83 -10.176 -4.868 -1.804 1.00 1.06 H new ATOM 0 HE3 LYS A 83 -11.009 -6.217 -2.551 1.00 1.06 H new ATOM 0 HZ1 LYS A 83 -8.559 -6.011 -3.004 1.00 1.44 H new ATOM 0 HZ2 LYS A 83 -9.550 -6.202 -4.369 1.00 1.44 H new ATOM 0 HZ3 LYS A 83 -8.924 -4.672 -3.982 1.00 1.44 H new ATOM 1023 N ARG A 84 -15.699 -2.864 -1.576 1.00 0.42 N ATOM 1024 CA ARG A 84 -16.625 -3.601 -0.723 1.00 0.43 C ATOM 1025 C ARG A 84 -16.404 -5.101 -0.882 1.00 0.44 C ATOM 1026 O ARG A 84 -16.101 -5.575 -1.976 1.00 0.49 O ATOM 1027 CB ARG A 84 -18.071 -3.243 -1.085 1.00 0.47 C ATOM 1028 CG ARG A 84 -19.108 -3.821 -0.136 1.00 0.57 C ATOM 1029 CD ARG A 84 -20.515 -3.391 -0.516 1.00 0.61 C ATOM 1030 NE ARG A 84 -20.865 -3.801 -1.874 1.00 0.71 N ATOM 1031 CZ ARG A 84 -21.955 -4.496 -2.190 1.00 0.78 C ATOM 1032 NH1 ARG A 84 -22.830 -4.843 -1.251 1.00 0.88 N ATOM 1033 NH2 ARG A 84 -22.174 -4.831 -3.454 1.00 0.96 N ATOM 0 H ARG A 84 -15.944 -2.879 -2.566 1.00 0.42 H new ATOM 0 HA ARG A 84 -16.441 -3.326 0.316 1.00 0.43 H new ATOM 0 HB2 ARG A 84 -18.173 -2.158 -1.100 1.00 0.47 H new ATOM 0 HB3 ARG A 84 -18.280 -3.597 -2.094 1.00 0.47 H new ATOM 0 HG2 ARG A 84 -19.044 -4.909 -0.146 1.00 0.57 H new ATOM 0 HG3 ARG A 84 -18.891 -3.498 0.882 1.00 0.57 H new ATOM 0 HD2 ARG A 84 -21.228 -3.821 0.188 1.00 0.61 H new ATOM 0 HD3 ARG A 84 -20.598 -2.307 -0.432 1.00 0.61 H new ATOM 0 HE ARG A 84 -20.232 -3.537 -2.629 1.00 0.71 H new ATOM 0 HH11 ARG A 84 -22.668 -4.576 -0.280 1.00 0.88 H new ATOM 0 HH12 ARG A 84 -23.663 -5.376 -1.502 1.00 0.88 H new ATOM 0 HH21 ARG A 84 -21.509 -4.556 -4.177 1.00 0.96 H new ATOM 0 HH22 ARG A 84 -23.007 -5.364 -3.703 1.00 0.96 H new ATOM 1047 N VAL A 85 -16.546 -5.843 0.210 1.00 0.45 N ATOM 1048 CA VAL A 85 -16.366 -7.290 0.192 1.00 0.49 C ATOM 1049 C VAL A 85 -17.638 -7.977 -0.313 1.00 0.55 C ATOM 1050 O VAL A 85 -18.674 -7.936 0.354 1.00 0.59 O ATOM 1051 CB VAL A 85 -16.019 -7.830 1.599 1.00 0.52 C ATOM 1052 CG1 VAL A 85 -15.694 -9.313 1.548 1.00 0.61 C ATOM 1053 CG2 VAL A 85 -14.861 -7.049 2.206 1.00 0.50 C ATOM 0 H VAL A 85 -16.787 -5.463 1.125 1.00 0.45 H new ATOM 0 HA VAL A 85 -15.537 -7.511 -0.481 1.00 0.49 H new ATOM 0 HB VAL A 85 -16.894 -7.697 2.235 1.00 0.52 H new ATOM 0 HG11 VAL A 85 -15.454 -9.667 2.550 1.00 0.61 H new ATOM 0 HG12 VAL A 85 -16.555 -9.861 1.166 1.00 0.61 H new ATOM 0 HG13 VAL A 85 -14.840 -9.476 0.891 1.00 0.61 H new ATOM 0 HG21 VAL A 85 -14.634 -7.446 3.196 1.00 0.50 H new ATOM 0 HG22 VAL A 85 -13.983 -7.144 1.567 1.00 0.50 H new ATOM 0 HG23 VAL A 85 -15.136 -5.998 2.291 1.00 0.50 H new ATOM 1063 N PRO A 86 -17.584 -8.609 -1.498 1.00 0.61 N ATOM 1064 CA PRO A 86 -18.744 -9.287 -2.086 1.00 0.69 C ATOM 1065 C PRO A 86 -19.048 -10.631 -1.425 1.00 0.68 C ATOM 1066 O PRO A 86 -20.156 -11.152 -1.536 1.00 0.77 O ATOM 1067 CB PRO A 86 -18.328 -9.485 -3.543 1.00 0.81 C ATOM 1068 CG PRO A 86 -16.840 -9.550 -3.525 1.00 0.80 C ATOM 1069 CD PRO A 86 -16.387 -8.702 -2.365 1.00 0.64 C ATOM 0 HA PRO A 86 -19.659 -8.708 -1.959 1.00 0.69 H new ATOM 0 HB2 PRO A 86 -18.756 -10.400 -3.953 1.00 0.81 H new ATOM 0 HB3 PRO A 86 -18.678 -8.662 -4.167 1.00 0.81 H new ATOM 0 HG2 PRO A 86 -16.498 -10.579 -3.410 1.00 0.80 H new ATOM 0 HG3 PRO A 86 -16.424 -9.179 -4.462 1.00 0.80 H new ATOM 0 HD2 PRO A 86 -15.549 -9.160 -1.840 1.00 0.64 H new ATOM 0 HD3 PRO A 86 -16.057 -7.717 -2.696 1.00 0.64 H new ATOM 1077 N GLN A 87 -18.069 -11.177 -0.714 1.00 0.67 N ATOM 1078 CA GLN A 87 -18.235 -12.462 -0.045 1.00 0.70 C ATOM 1079 C GLN A 87 -18.744 -12.288 1.385 1.00 0.70 C ATOM 1080 O GLN A 87 -18.304 -12.986 2.301 1.00 1.01 O ATOM 1081 CB GLN A 87 -16.913 -13.229 -0.042 1.00 0.78 C ATOM 1082 CG GLN A 87 -16.513 -13.762 -1.409 1.00 0.91 C ATOM 1083 CD GLN A 87 -17.578 -14.645 -2.031 1.00 1.00 C ATOM 1084 OE1 GLN A 87 -18.428 -14.170 -2.785 1.00 1.05 O ATOM 1085 NE2 GLN A 87 -17.543 -15.931 -1.720 1.00 1.21 N ATOM 0 H GLN A 87 -17.152 -10.750 -0.586 1.00 0.67 H new ATOM 0 HA GLN A 87 -18.981 -13.032 -0.599 1.00 0.70 H new ATOM 0 HB2 GLN A 87 -16.124 -12.574 0.328 1.00 0.78 H new ATOM 0 HB3 GLN A 87 -16.988 -14.063 0.656 1.00 0.78 H new ATOM 0 HG2 GLN A 87 -16.308 -12.924 -2.075 1.00 0.91 H new ATOM 0 HG3 GLN A 87 -15.587 -14.329 -1.316 1.00 0.91 H new ATOM 0 HE21 GLN A 87 -16.822 -16.284 -1.091 1.00 1.21 H new ATOM 0 HE22 GLN A 87 -18.237 -16.569 -2.109 1.00 1.21 H new ATOM 1094 N CYS A 88 -19.678 -11.365 1.567 1.00 0.73 N ATOM 1095 CA CYS A 88 -20.249 -11.098 2.877 1.00 0.71 C ATOM 1096 C CYS A 88 -21.771 -10.997 2.787 1.00 0.71 C ATOM 1097 O CYS A 88 -22.297 -10.313 1.910 1.00 0.74 O ATOM 1098 CB CYS A 88 -19.664 -9.812 3.464 1.00 0.73 C ATOM 1099 SG CYS A 88 -18.047 -10.031 4.242 1.00 1.44 S ATOM 0 H CYS A 88 -20.057 -10.786 0.818 1.00 0.73 H new ATOM 0 HA CYS A 88 -19.996 -11.927 3.538 1.00 0.71 H new ATOM 0 HB2 CYS A 88 -19.577 -9.069 2.671 1.00 0.73 H new ATOM 0 HB3 CYS A 88 -20.360 -9.411 4.201 1.00 0.73 H new ATOM 0 HG CYS A 88 -17.527 -11.157 3.853 1.00 1.44 H new ATOM 1105 N PRO A 89 -22.498 -11.690 3.682 1.00 0.75 N ATOM 1106 CA PRO A 89 -23.968 -11.677 3.697 1.00 0.79 C ATOM 1107 C PRO A 89 -24.535 -10.315 4.078 1.00 0.74 C ATOM 1108 O PRO A 89 -25.650 -9.970 3.690 1.00 0.79 O ATOM 1109 CB PRO A 89 -24.337 -12.720 4.760 1.00 0.88 C ATOM 1110 CG PRO A 89 -23.088 -13.485 5.034 1.00 0.92 C ATOM 1111 CD PRO A 89 -21.950 -12.553 4.740 1.00 0.81 C ATOM 0 HA PRO A 89 -24.378 -11.894 2.710 1.00 0.79 H new ATOM 0 HB2 PRO A 89 -24.707 -12.240 5.666 1.00 0.88 H new ATOM 0 HB3 PRO A 89 -25.128 -13.379 4.402 1.00 0.88 H new ATOM 0 HG2 PRO A 89 -23.057 -13.821 6.070 1.00 0.92 H new ATOM 0 HG3 PRO A 89 -23.033 -14.376 4.408 1.00 0.92 H new ATOM 0 HD2 PRO A 89 -21.660 -11.979 5.620 1.00 0.81 H new ATOM 0 HD3 PRO A 89 -21.064 -13.091 4.404 1.00 0.81 H new ATOM 1119 N SER A 90 -23.764 -9.545 4.837 1.00 0.71 N ATOM 1120 CA SER A 90 -24.187 -8.222 5.274 1.00 0.71 C ATOM 1121 C SER A 90 -24.194 -7.240 4.106 1.00 0.65 C ATOM 1122 O SER A 90 -25.071 -6.380 4.009 1.00 0.72 O ATOM 1123 CB SER A 90 -23.249 -7.733 6.375 1.00 0.75 C ATOM 1124 OG SER A 90 -22.002 -8.406 6.294 1.00 0.85 O ATOM 0 H SER A 90 -22.837 -9.817 5.164 1.00 0.71 H new ATOM 0 HA SER A 90 -25.203 -8.284 5.663 1.00 0.71 H new ATOM 0 HB2 SER A 90 -23.097 -6.658 6.281 1.00 0.75 H new ATOM 0 HB3 SER A 90 -23.701 -7.907 7.351 1.00 0.75 H new ATOM 0 HG SER A 90 -21.409 -8.082 7.004 1.00 0.85 H new ATOM 1130 N GLY A 91 -23.201 -7.371 3.230 1.00 0.60 N ATOM 1131 CA GLY A 91 -23.100 -6.502 2.073 1.00 0.60 C ATOM 1132 C GLY A 91 -22.717 -5.074 2.430 1.00 0.57 C ATOM 1133 O GLY A 91 -22.809 -4.176 1.592 1.00 0.64 O ATOM 0 H GLY A 91 -22.461 -8.069 3.303 1.00 0.60 H new ATOM 0 HA2 GLY A 91 -22.360 -6.909 1.384 1.00 0.60 H new ATOM 0 HA3 GLY A 91 -24.055 -6.495 1.547 1.00 0.60 H new ATOM 1137 N ARG A 92 -22.282 -4.861 3.668 1.00 0.52 N ATOM 1138 CA ARG A 92 -21.894 -3.527 4.118 1.00 0.51 C ATOM 1139 C ARG A 92 -20.468 -3.528 4.659 1.00 0.48 C ATOM 1140 O ARG A 92 -20.013 -2.548 5.255 1.00 0.48 O ATOM 1141 CB ARG A 92 -22.857 -3.022 5.195 1.00 0.54 C ATOM 1142 CG ARG A 92 -24.307 -2.989 4.747 1.00 0.58 C ATOM 1143 CD ARG A 92 -25.130 -2.036 5.592 1.00 0.61 C ATOM 1144 NE ARG A 92 -24.971 -0.646 5.171 1.00 0.59 N ATOM 1145 CZ ARG A 92 -25.354 0.399 5.901 1.00 0.59 C ATOM 1146 NH1 ARG A 92 -25.914 0.208 7.091 1.00 0.62 N ATOM 1147 NH2 ARG A 92 -25.184 1.628 5.438 1.00 0.60 N ATOM 0 H ARG A 92 -22.189 -5.590 4.375 1.00 0.52 H new ATOM 0 HA ARG A 92 -21.940 -2.858 3.259 1.00 0.51 H new ATOM 0 HB2 ARG A 92 -22.772 -3.660 6.075 1.00 0.54 H new ATOM 0 HB3 ARG A 92 -22.556 -2.019 5.498 1.00 0.54 H new ATOM 0 HG2 ARG A 92 -24.359 -2.686 3.701 1.00 0.58 H new ATOM 0 HG3 ARG A 92 -24.731 -3.991 4.810 1.00 0.58 H new ATOM 0 HD2 ARG A 92 -26.182 -2.314 5.530 1.00 0.61 H new ATOM 0 HD3 ARG A 92 -24.836 -2.133 6.637 1.00 0.61 H new ATOM 0 HE ARG A 92 -24.541 -0.466 4.264 1.00 0.59 H new ATOM 0 HH11 ARG A 92 -26.050 -0.739 7.445 1.00 0.62 H new ATOM 0 HH12 ARG A 92 -26.208 1.008 7.651 1.00 0.62 H new ATOM 0 HH21 ARG A 92 -24.760 1.774 4.522 1.00 0.60 H new ATOM 0 HH22 ARG A 92 -25.478 2.429 5.997 1.00 0.60 H new ATOM 1161 N VAL A 93 -19.768 -4.632 4.449 1.00 0.47 N ATOM 1162 CA VAL A 93 -18.391 -4.759 4.902 1.00 0.45 C ATOM 1163 C VAL A 93 -17.452 -4.268 3.809 1.00 0.41 C ATOM 1164 O VAL A 93 -17.481 -4.770 2.684 1.00 0.43 O ATOM 1165 CB VAL A 93 -18.039 -6.218 5.267 1.00 0.48 C ATOM 1166 CG1 VAL A 93 -16.643 -6.307 5.872 1.00 0.47 C ATOM 1167 CG2 VAL A 93 -19.077 -6.797 6.220 1.00 0.56 C ATOM 0 H VAL A 93 -20.131 -5.454 3.967 1.00 0.47 H new ATOM 0 HA VAL A 93 -18.276 -4.153 5.801 1.00 0.45 H new ATOM 0 HB VAL A 93 -18.047 -6.808 4.351 1.00 0.48 H new ATOM 0 HG11 VAL A 93 -16.420 -7.345 6.120 1.00 0.47 H new ATOM 0 HG12 VAL A 93 -15.911 -5.940 5.153 1.00 0.47 H new ATOM 0 HG13 VAL A 93 -16.599 -5.700 6.776 1.00 0.47 H new ATOM 0 HG21 VAL A 93 -18.812 -7.825 6.466 1.00 0.56 H new ATOM 0 HG22 VAL A 93 -19.105 -6.202 7.133 1.00 0.56 H new ATOM 0 HG23 VAL A 93 -20.058 -6.779 5.745 1.00 0.56 H new ATOM 1177 N TYR A 94 -16.639 -3.279 4.138 1.00 0.39 N ATOM 1178 CA TYR A 94 -15.699 -2.704 3.190 1.00 0.37 C ATOM 1179 C TYR A 94 -14.269 -3.001 3.622 1.00 0.35 C ATOM 1180 O TYR A 94 -14.008 -3.257 4.800 1.00 0.37 O ATOM 1181 CB TYR A 94 -15.929 -1.196 3.070 1.00 0.38 C ATOM 1182 CG TYR A 94 -17.162 -0.842 2.267 1.00 0.41 C ATOM 1183 CD1 TYR A 94 -18.431 -0.996 2.803 1.00 0.44 C ATOM 1184 CD2 TYR A 94 -17.055 -0.365 0.968 1.00 0.42 C ATOM 1185 CE1 TYR A 94 -19.560 -0.689 2.069 1.00 0.47 C ATOM 1186 CE2 TYR A 94 -18.178 -0.049 0.230 1.00 0.46 C ATOM 1187 CZ TYR A 94 -19.427 -0.215 0.782 1.00 0.48 C ATOM 1188 OH TYR A 94 -20.547 0.089 0.048 1.00 0.53 O ATOM 0 H TYR A 94 -16.611 -2.853 5.065 1.00 0.39 H new ATOM 0 HA TYR A 94 -15.861 -3.155 2.211 1.00 0.37 H new ATOM 0 HB2 TYR A 94 -16.019 -0.768 4.069 1.00 0.38 H new ATOM 0 HB3 TYR A 94 -15.056 -0.738 2.604 1.00 0.38 H new ATOM 0 HD1 TYR A 94 -18.539 -1.363 3.813 1.00 0.44 H new ATOM 0 HD2 TYR A 94 -16.077 -0.239 0.527 1.00 0.42 H new ATOM 0 HE1 TYR A 94 -20.541 -0.820 2.501 1.00 0.47 H new ATOM 0 HE2 TYR A 94 -18.076 0.327 -0.777 1.00 0.46 H new ATOM 0 HH TYR A 94 -20.345 0.004 -0.907 1.00 0.53 H new ATOM 1198 N VAL A 95 -13.347 -2.965 2.673 1.00 0.34 N ATOM 1199 CA VAL A 95 -11.952 -3.251 2.961 1.00 0.33 C ATOM 1200 C VAL A 95 -11.019 -2.254 2.273 1.00 0.31 C ATOM 1201 O VAL A 95 -11.215 -1.896 1.109 1.00 0.31 O ATOM 1202 CB VAL A 95 -11.588 -4.697 2.539 1.00 0.36 C ATOM 1203 CG1 VAL A 95 -11.878 -4.926 1.062 1.00 0.38 C ATOM 1204 CG2 VAL A 95 -10.133 -5.009 2.855 1.00 0.38 C ATOM 0 H VAL A 95 -13.540 -2.740 1.697 1.00 0.34 H new ATOM 0 HA VAL A 95 -11.817 -3.152 4.038 1.00 0.33 H new ATOM 0 HB VAL A 95 -12.214 -5.378 3.116 1.00 0.36 H new ATOM 0 HG11 VAL A 95 -11.613 -5.949 0.794 1.00 0.38 H new ATOM 0 HG12 VAL A 95 -12.939 -4.763 0.870 1.00 0.38 H new ATOM 0 HG13 VAL A 95 -11.290 -4.230 0.464 1.00 0.38 H new ATOM 0 HG21 VAL A 95 -9.905 -6.030 2.549 1.00 0.38 H new ATOM 0 HG22 VAL A 95 -9.487 -4.316 2.317 1.00 0.38 H new ATOM 0 HG23 VAL A 95 -9.963 -4.905 3.927 1.00 0.38 H new ATOM 1214 N LEU A 96 -10.027 -1.794 3.020 1.00 0.31 N ATOM 1215 CA LEU A 96 -9.032 -0.862 2.511 1.00 0.30 C ATOM 1216 C LEU A 96 -7.738 -1.625 2.246 1.00 0.30 C ATOM 1217 O LEU A 96 -7.250 -2.342 3.121 1.00 0.38 O ATOM 1218 CB LEU A 96 -8.798 0.260 3.527 1.00 0.34 C ATOM 1219 CG LEU A 96 -7.906 1.410 3.047 1.00 0.37 C ATOM 1220 CD1 LEU A 96 -8.623 2.238 1.992 1.00 0.43 C ATOM 1221 CD2 LEU A 96 -7.486 2.283 4.222 1.00 0.44 C ATOM 0 H LEU A 96 -9.889 -2.056 3.996 1.00 0.31 H new ATOM 0 HA LEU A 96 -9.383 -0.411 1.583 1.00 0.30 H new ATOM 0 HB2 LEU A 96 -9.765 0.671 3.818 1.00 0.34 H new ATOM 0 HB3 LEU A 96 -8.353 -0.172 4.423 1.00 0.34 H new ATOM 0 HG LEU A 96 -7.009 0.986 2.596 1.00 0.37 H new ATOM 0 HD11 LEU A 96 -7.974 3.050 1.663 1.00 0.43 H new ATOM 0 HD12 LEU A 96 -8.872 1.605 1.140 1.00 0.43 H new ATOM 0 HD13 LEU A 96 -9.538 2.653 2.415 1.00 0.43 H new ATOM 0 HD21 LEU A 96 -6.853 3.095 3.864 1.00 0.44 H new ATOM 0 HD22 LEU A 96 -8.372 2.698 4.702 1.00 0.44 H new ATOM 0 HD23 LEU A 96 -6.932 1.681 4.942 1.00 0.44 H new ATOM 1233 N LYS A 97 -7.186 -1.484 1.050 1.00 0.29 N ATOM 1234 CA LYS A 97 -5.970 -2.203 0.690 1.00 0.33 C ATOM 1235 C LYS A 97 -4.837 -1.268 0.288 1.00 0.26 C ATOM 1236 O LYS A 97 -5.046 -0.274 -0.406 1.00 0.32 O ATOM 1237 CB LYS A 97 -6.261 -3.164 -0.465 1.00 0.45 C ATOM 1238 CG LYS A 97 -5.185 -4.220 -0.673 1.00 0.51 C ATOM 1239 CD LYS A 97 -5.355 -4.939 -2.003 1.00 0.74 C ATOM 1240 CE LYS A 97 -4.520 -6.210 -2.059 1.00 0.80 C ATOM 1241 NZ LYS A 97 -4.490 -6.800 -3.422 1.00 0.89 N ATOM 0 H LYS A 97 -7.557 -0.882 0.315 1.00 0.29 H new ATOM 0 HA LYS A 97 -5.649 -2.752 1.575 1.00 0.33 H new ATOM 0 HB2 LYS A 97 -7.213 -3.661 -0.280 1.00 0.45 H new ATOM 0 HB3 LYS A 97 -6.374 -2.589 -1.384 1.00 0.45 H new ATOM 0 HG2 LYS A 97 -4.202 -3.751 -0.636 1.00 0.51 H new ATOM 0 HG3 LYS A 97 -5.224 -4.945 0.140 1.00 0.51 H new ATOM 0 HD2 LYS A 97 -6.406 -5.186 -2.153 1.00 0.74 H new ATOM 0 HD3 LYS A 97 -5.064 -4.275 -2.817 1.00 0.74 H new ATOM 0 HE2 LYS A 97 -3.502 -5.989 -1.738 1.00 0.80 H new ATOM 0 HE3 LYS A 97 -4.924 -6.940 -1.357 1.00 0.80 H new ATOM 0 HZ1 LYS A 97 -3.910 -7.663 -3.414 1.00 0.89 H new ATOM 0 HZ2 LYS A 97 -5.458 -7.036 -3.720 1.00 0.89 H new ATOM 0 HZ3 LYS A 97 -4.080 -6.114 -4.088 1.00 0.89 H new ATOM 1255 N PHE A 98 -3.635 -1.603 0.735 1.00 0.29 N ATOM 1256 CA PHE A 98 -2.443 -0.843 0.399 1.00 0.30 C ATOM 1257 C PHE A 98 -1.576 -1.683 -0.531 1.00 0.33 C ATOM 1258 O PHE A 98 -1.519 -2.908 -0.392 1.00 0.45 O ATOM 1259 CB PHE A 98 -1.658 -0.474 1.659 1.00 0.39 C ATOM 1260 CG PHE A 98 -2.040 0.853 2.247 1.00 0.44 C ATOM 1261 CD1 PHE A 98 -1.553 2.031 1.705 1.00 0.57 C ATOM 1262 CD2 PHE A 98 -2.878 0.924 3.349 1.00 0.61 C ATOM 1263 CE1 PHE A 98 -1.894 3.255 2.249 1.00 0.72 C ATOM 1264 CE2 PHE A 98 -3.220 2.146 3.900 1.00 0.76 C ATOM 1265 CZ PHE A 98 -2.728 3.312 3.348 1.00 0.77 C ATOM 0 H PHE A 98 -3.461 -2.407 1.339 1.00 0.29 H new ATOM 0 HA PHE A 98 -2.734 0.084 -0.096 1.00 0.30 H new ATOM 0 HB2 PHE A 98 -1.809 -1.250 2.410 1.00 0.39 H new ATOM 0 HB3 PHE A 98 -0.594 -0.463 1.422 1.00 0.39 H new ATOM 0 HD1 PHE A 98 -0.899 1.993 0.847 1.00 0.57 H new ATOM 0 HD2 PHE A 98 -3.268 0.015 3.782 1.00 0.61 H new ATOM 0 HE1 PHE A 98 -1.509 4.166 1.815 1.00 0.72 H new ATOM 0 HE2 PHE A 98 -3.871 2.188 4.761 1.00 0.76 H new ATOM 0 HZ PHE A 98 -2.995 4.267 3.775 1.00 0.77 H new ATOM 1275 N LYS A 99 -0.905 -1.041 -1.473 1.00 0.40 N ATOM 1276 CA LYS A 99 -0.065 -1.758 -2.422 1.00 0.48 C ATOM 1277 C LYS A 99 1.413 -1.559 -2.103 1.00 0.54 C ATOM 1278 O LYS A 99 2.292 -1.909 -2.895 1.00 0.82 O ATOM 1279 CB LYS A 99 -0.383 -1.307 -3.850 1.00 0.54 C ATOM 1280 CG LYS A 99 -1.734 -1.804 -4.338 1.00 0.70 C ATOM 1281 CD LYS A 99 -2.233 -1.019 -5.539 1.00 0.73 C ATOM 1282 CE LYS A 99 -3.631 -1.468 -5.942 1.00 0.91 C ATOM 1283 NZ LYS A 99 -4.224 -0.596 -6.984 1.00 1.11 N ATOM 0 H LYS A 99 -0.924 -0.029 -1.602 1.00 0.40 H new ATOM 0 HA LYS A 99 -0.279 -2.823 -2.339 1.00 0.48 H new ATOM 0 HB2 LYS A 99 -0.364 -0.218 -3.895 1.00 0.54 H new ATOM 0 HB3 LYS A 99 0.396 -1.668 -4.522 1.00 0.54 H new ATOM 0 HG2 LYS A 99 -1.658 -2.859 -4.601 1.00 0.70 H new ATOM 0 HG3 LYS A 99 -2.461 -1.729 -3.529 1.00 0.70 H new ATOM 0 HD2 LYS A 99 -2.243 0.045 -5.304 1.00 0.73 H new ATOM 0 HD3 LYS A 99 -1.548 -1.154 -6.376 1.00 0.73 H new ATOM 0 HE2 LYS A 99 -3.589 -2.493 -6.310 1.00 0.91 H new ATOM 0 HE3 LYS A 99 -4.276 -1.471 -5.064 1.00 0.91 H new ATOM 0 HZ1 LYS A 99 -5.229 -0.833 -7.104 1.00 1.11 H new ATOM 0 HZ2 LYS A 99 -4.135 0.399 -6.695 1.00 1.11 H new ATOM 0 HZ3 LYS A 99 -3.724 -0.741 -7.884 1.00 1.11 H new ATOM 1297 N ALA A 100 1.673 -0.973 -0.947 1.00 0.55 N ATOM 1298 CA ALA A 100 3.032 -0.735 -0.489 1.00 0.63 C ATOM 1299 C ALA A 100 3.218 -1.329 0.901 1.00 0.62 C ATOM 1300 O ALA A 100 3.098 -0.633 1.909 1.00 1.36 O ATOM 1301 CB ALA A 100 3.349 0.757 -0.489 1.00 0.89 C ATOM 0 H ALA A 100 0.952 -0.650 -0.302 1.00 0.55 H new ATOM 0 HA ALA A 100 3.726 -1.222 -1.174 1.00 0.63 H new ATOM 0 HB1 ALA A 100 4.371 0.912 -0.143 1.00 0.89 H new ATOM 0 HB2 ALA A 100 3.245 1.151 -1.500 1.00 0.89 H new ATOM 0 HB3 ALA A 100 2.658 1.276 0.176 1.00 0.89 H new ATOM 1307 N GLY A 101 3.467 -2.629 0.947 1.00 0.78 N ATOM 1308 CA GLY A 101 3.656 -3.305 2.214 1.00 0.83 C ATOM 1309 C GLY A 101 2.561 -4.318 2.492 1.00 0.73 C ATOM 1310 O GLY A 101 2.103 -5.011 1.578 1.00 1.06 O ATOM 0 H GLY A 101 3.542 -3.230 0.126 1.00 0.78 H new ATOM 0 HA2 GLY A 101 4.623 -3.808 2.215 1.00 0.83 H new ATOM 0 HA3 GLY A 101 3.680 -2.568 3.017 1.00 0.83 H new ATOM 1314 N SER A 102 2.140 -4.403 3.748 1.00 0.51 N ATOM 1315 CA SER A 102 1.099 -5.335 4.152 1.00 0.48 C ATOM 1316 C SER A 102 0.156 -4.694 5.168 1.00 0.52 C ATOM 1317 O SER A 102 0.352 -4.822 6.381 1.00 1.13 O ATOM 1318 CB SER A 102 1.736 -6.589 4.743 1.00 0.60 C ATOM 1319 OG SER A 102 2.784 -7.055 3.909 1.00 1.00 O ATOM 0 H SER A 102 2.508 -3.832 4.509 1.00 0.51 H new ATOM 0 HA SER A 102 0.514 -5.606 3.273 1.00 0.48 H new ATOM 0 HB2 SER A 102 2.125 -6.372 5.738 1.00 0.60 H new ATOM 0 HB3 SER A 102 0.982 -7.367 4.858 1.00 0.60 H new ATOM 0 HG SER A 102 3.183 -7.859 4.303 1.00 1.00 H new ATOM 1325 N LYS A 103 -0.856 -3.993 4.678 1.00 0.42 N ATOM 1326 CA LYS A 103 -1.815 -3.335 5.552 1.00 0.42 C ATOM 1327 C LYS A 103 -3.238 -3.588 5.068 1.00 0.39 C ATOM 1328 O LYS A 103 -3.680 -3.010 4.075 1.00 0.44 O ATOM 1329 CB LYS A 103 -1.528 -1.835 5.619 1.00 0.52 C ATOM 1330 CG LYS A 103 -2.021 -1.187 6.902 1.00 0.60 C ATOM 1331 CD LYS A 103 -1.052 -0.126 7.402 1.00 0.79 C ATOM 1332 CE LYS A 103 -1.310 0.224 8.859 1.00 0.93 C ATOM 1333 NZ LYS A 103 -1.126 -0.950 9.755 1.00 1.17 N ATOM 0 H LYS A 103 -1.034 -3.866 3.682 1.00 0.42 H new ATOM 0 HA LYS A 103 -1.716 -3.751 6.555 1.00 0.42 H new ATOM 0 HB2 LYS A 103 -0.454 -1.673 5.527 1.00 0.52 H new ATOM 0 HB3 LYS A 103 -1.998 -1.343 4.767 1.00 0.52 H new ATOM 0 HG2 LYS A 103 -2.998 -0.736 6.730 1.00 0.60 H new ATOM 0 HG3 LYS A 103 -2.153 -1.951 7.669 1.00 0.60 H new ATOM 0 HD2 LYS A 103 -0.029 -0.484 7.289 1.00 0.79 H new ATOM 0 HD3 LYS A 103 -1.145 0.771 6.790 1.00 0.79 H new ATOM 0 HE2 LYS A 103 -0.635 1.023 9.165 1.00 0.93 H new ATOM 0 HE3 LYS A 103 -2.325 0.606 8.966 1.00 0.93 H new ATOM 0 HZ1 LYS A 103 -0.890 -0.622 10.713 1.00 1.17 H new ATOM 0 HZ2 LYS A 103 -2.005 -1.505 9.785 1.00 1.17 H new ATOM 0 HZ3 LYS A 103 -0.354 -1.545 9.393 1.00 1.17 H new ATOM 1347 N ARG A 104 -3.949 -4.454 5.775 1.00 0.37 N ATOM 1348 CA ARG A 104 -5.319 -4.798 5.419 1.00 0.38 C ATOM 1349 C ARG A 104 -6.289 -4.351 6.512 1.00 0.37 C ATOM 1350 O ARG A 104 -6.343 -4.950 7.586 1.00 0.51 O ATOM 1351 CB ARG A 104 -5.437 -6.308 5.190 1.00 0.47 C ATOM 1352 CG ARG A 104 -4.537 -6.831 4.080 1.00 0.63 C ATOM 1353 CD ARG A 104 -4.410 -8.347 4.129 1.00 0.86 C ATOM 1354 NE ARG A 104 -3.885 -8.895 2.878 1.00 1.11 N ATOM 1355 CZ ARG A 104 -2.930 -9.825 2.799 1.00 1.40 C ATOM 1356 NH1 ARG A 104 -2.378 -10.320 3.903 1.00 1.85 N ATOM 1357 NH2 ARG A 104 -2.540 -10.270 1.609 1.00 1.70 N ATOM 0 H ARG A 104 -3.598 -4.934 6.604 1.00 0.37 H new ATOM 0 HA ARG A 104 -5.579 -4.278 4.497 1.00 0.38 H new ATOM 0 HB2 ARG A 104 -5.194 -6.827 6.117 1.00 0.47 H new ATOM 0 HB3 ARG A 104 -6.472 -6.550 4.951 1.00 0.47 H new ATOM 0 HG2 ARG A 104 -4.939 -6.530 3.113 1.00 0.63 H new ATOM 0 HG3 ARG A 104 -3.549 -6.379 4.169 1.00 0.63 H new ATOM 0 HD2 ARG A 104 -3.753 -8.629 4.952 1.00 0.86 H new ATOM 0 HD3 ARG A 104 -5.386 -8.786 4.335 1.00 0.86 H new ATOM 0 HE ARG A 104 -4.276 -8.542 2.005 1.00 1.11 H new ATOM 0 HH11 ARG A 104 -2.684 -9.990 4.818 1.00 1.85 H new ATOM 0 HH12 ARG A 104 -1.649 -11.030 3.834 1.00 1.85 H new ATOM 0 HH21 ARG A 104 -2.970 -9.901 0.761 1.00 1.70 H new ATOM 0 HH22 ARG A 104 -1.811 -10.980 1.544 1.00 1.70 H new ATOM 1371 N LEU A 105 -7.051 -3.300 6.234 1.00 0.33 N ATOM 1372 CA LEU A 105 -8.010 -2.770 7.199 1.00 0.34 C ATOM 1373 C LEU A 105 -9.441 -3.007 6.730 1.00 0.33 C ATOM 1374 O LEU A 105 -9.739 -2.888 5.541 1.00 0.39 O ATOM 1375 CB LEU A 105 -7.770 -1.273 7.418 1.00 0.37 C ATOM 1376 CG LEU A 105 -6.407 -0.911 8.012 1.00 0.50 C ATOM 1377 CD1 LEU A 105 -6.220 0.599 8.032 1.00 0.70 C ATOM 1378 CD2 LEU A 105 -6.258 -1.491 9.412 1.00 0.82 C ATOM 0 H LEU A 105 -7.024 -2.796 5.347 1.00 0.33 H new ATOM 0 HA LEU A 105 -7.867 -3.295 8.144 1.00 0.34 H new ATOM 0 HB2 LEU A 105 -7.880 -0.760 6.462 1.00 0.37 H new ATOM 0 HB3 LEU A 105 -8.549 -0.889 8.077 1.00 0.37 H new ATOM 0 HG LEU A 105 -5.631 -1.345 7.381 1.00 0.50 H new ATOM 0 HD11 LEU A 105 -5.246 0.839 8.457 1.00 0.70 H new ATOM 0 HD12 LEU A 105 -6.277 0.986 7.015 1.00 0.70 H new ATOM 0 HD13 LEU A 105 -7.003 1.055 8.638 1.00 0.70 H new ATOM 0 HD21 LEU A 105 -5.282 -1.222 9.815 1.00 0.82 H new ATOM 0 HD22 LEU A 105 -7.040 -1.091 10.057 1.00 0.82 H new ATOM 0 HD23 LEU A 105 -6.345 -2.577 9.367 1.00 0.82 H new ATOM 1390 N PHE A 106 -10.317 -3.350 7.665 1.00 0.34 N ATOM 1391 CA PHE A 106 -11.721 -3.605 7.350 1.00 0.34 C ATOM 1392 C PHE A 106 -12.619 -2.615 8.087 1.00 0.35 C ATOM 1393 O PHE A 106 -12.333 -2.238 9.224 1.00 0.37 O ATOM 1394 CB PHE A 106 -12.108 -5.035 7.740 1.00 0.38 C ATOM 1395 CG PHE A 106 -11.336 -6.098 7.010 1.00 0.40 C ATOM 1396 CD1 PHE A 106 -10.097 -6.515 7.472 1.00 0.46 C ATOM 1397 CD2 PHE A 106 -11.850 -6.682 5.864 1.00 0.44 C ATOM 1398 CE1 PHE A 106 -9.385 -7.491 6.805 1.00 0.52 C ATOM 1399 CE2 PHE A 106 -11.142 -7.660 5.193 1.00 0.50 C ATOM 1400 CZ PHE A 106 -9.908 -8.066 5.663 1.00 0.52 C ATOM 0 H PHE A 106 -10.081 -3.459 8.651 1.00 0.34 H new ATOM 0 HA PHE A 106 -11.856 -3.481 6.276 1.00 0.34 H new ATOM 0 HB2 PHE A 106 -11.956 -5.162 8.812 1.00 0.38 H new ATOM 0 HB3 PHE A 106 -13.172 -5.177 7.549 1.00 0.38 H new ATOM 0 HD1 PHE A 106 -9.684 -6.070 8.365 1.00 0.46 H new ATOM 0 HD2 PHE A 106 -12.814 -6.369 5.491 1.00 0.44 H new ATOM 0 HE1 PHE A 106 -8.420 -7.805 7.175 1.00 0.52 H new ATOM 0 HE2 PHE A 106 -11.553 -8.108 4.300 1.00 0.50 H new ATOM 0 HZ PHE A 106 -9.354 -8.831 5.139 1.00 0.52 H new ATOM 1410 N PHE A 107 -13.696 -2.194 7.434 1.00 0.35 N ATOM 1411 CA PHE A 107 -14.642 -1.247 8.020 1.00 0.37 C ATOM 1412 C PHE A 107 -16.069 -1.616 7.634 1.00 0.39 C ATOM 1413 O PHE A 107 -16.309 -2.137 6.545 1.00 0.48 O ATOM 1414 CB PHE A 107 -14.350 0.180 7.542 1.00 0.36 C ATOM 1415 CG PHE A 107 -13.045 0.743 8.026 1.00 0.35 C ATOM 1416 CD1 PHE A 107 -12.951 1.326 9.279 1.00 0.41 C ATOM 1417 CD2 PHE A 107 -11.912 0.693 7.227 1.00 0.38 C ATOM 1418 CE1 PHE A 107 -11.752 1.846 9.729 1.00 0.46 C ATOM 1419 CE2 PHE A 107 -10.712 1.212 7.670 1.00 0.43 C ATOM 1420 CZ PHE A 107 -10.632 1.789 8.923 1.00 0.46 C ATOM 0 H PHE A 107 -13.939 -2.496 6.490 1.00 0.35 H new ATOM 0 HA PHE A 107 -14.531 -1.293 9.103 1.00 0.37 H new ATOM 0 HB2 PHE A 107 -14.355 0.193 6.452 1.00 0.36 H new ATOM 0 HB3 PHE A 107 -15.158 0.833 7.872 1.00 0.36 H new ATOM 0 HD1 PHE A 107 -13.825 1.375 9.912 1.00 0.41 H new ATOM 0 HD2 PHE A 107 -11.969 0.243 6.247 1.00 0.38 H new ATOM 0 HE1 PHE A 107 -11.691 2.296 10.709 1.00 0.46 H new ATOM 0 HE2 PHE A 107 -9.837 1.167 7.038 1.00 0.43 H new ATOM 0 HZ PHE A 107 -9.694 2.195 9.272 1.00 0.46 H new ATOM 1430 N TRP A 108 -17.015 -1.354 8.521 1.00 0.41 N ATOM 1431 CA TRP A 108 -18.414 -1.650 8.242 1.00 0.43 C ATOM 1432 C TRP A 108 -19.248 -0.380 8.352 1.00 0.45 C ATOM 1433 O TRP A 108 -19.083 0.404 9.287 1.00 0.45 O ATOM 1434 CB TRP A 108 -18.956 -2.762 9.158 1.00 0.45 C ATOM 1435 CG TRP A 108 -18.781 -2.524 10.633 1.00 0.48 C ATOM 1436 CD1 TRP A 108 -17.615 -2.580 11.341 1.00 0.51 C ATOM 1437 CD2 TRP A 108 -19.813 -2.229 11.583 1.00 0.55 C ATOM 1438 NE1 TRP A 108 -17.857 -2.324 12.669 1.00 0.58 N ATOM 1439 CE2 TRP A 108 -19.200 -2.109 12.842 1.00 0.60 C ATOM 1440 CE3 TRP A 108 -21.200 -2.054 11.490 1.00 0.61 C ATOM 1441 CZ2 TRP A 108 -19.924 -1.817 13.997 1.00 0.70 C ATOM 1442 CZ3 TRP A 108 -21.916 -1.766 12.636 1.00 0.70 C ATOM 1443 CH2 TRP A 108 -21.279 -1.652 13.876 1.00 0.74 C ATOM 0 H TRP A 108 -16.843 -0.939 9.437 1.00 0.41 H new ATOM 0 HA TRP A 108 -18.486 -2.024 7.221 1.00 0.43 H new ATOM 0 HB2 TRP A 108 -20.018 -2.894 8.952 1.00 0.45 H new ATOM 0 HB3 TRP A 108 -18.462 -3.698 8.897 1.00 0.45 H new ATOM 0 HD1 TRP A 108 -16.644 -2.794 10.919 1.00 0.51 H new ATOM 0 HE1 TRP A 108 -17.152 -2.298 13.406 1.00 0.58 H new ATOM 0 HE3 TRP A 108 -21.701 -2.143 10.538 1.00 0.61 H new ATOM 0 HZ2 TRP A 108 -19.434 -1.724 14.955 1.00 0.70 H new ATOM 0 HZ3 TRP A 108 -22.985 -1.627 12.573 1.00 0.70 H new ATOM 0 HH2 TRP A 108 -21.866 -1.430 14.755 1.00 0.74 H new ATOM 1454 N MET A 109 -20.129 -0.179 7.379 1.00 0.46 N ATOM 1455 CA MET A 109 -20.977 1.012 7.334 1.00 0.48 C ATOM 1456 C MET A 109 -21.959 1.059 8.499 1.00 0.50 C ATOM 1457 O MET A 109 -22.647 0.080 8.784 1.00 0.51 O ATOM 1458 CB MET A 109 -21.754 1.067 6.017 1.00 0.50 C ATOM 1459 CG MET A 109 -20.881 1.274 4.789 1.00 0.50 C ATOM 1460 SD MET A 109 -19.986 2.840 4.822 1.00 0.58 S ATOM 1461 CE MET A 109 -19.372 2.913 3.137 1.00 0.60 C ATOM 0 H MET A 109 -20.277 -0.828 6.606 1.00 0.46 H new ATOM 0 HA MET A 109 -20.316 1.875 7.410 1.00 0.48 H new ATOM 0 HB2 MET A 109 -22.314 0.139 5.899 1.00 0.50 H new ATOM 0 HB3 MET A 109 -22.483 1.875 6.071 1.00 0.50 H new ATOM 0 HG2 MET A 109 -20.167 0.454 4.715 1.00 0.50 H new ATOM 0 HG3 MET A 109 -21.504 1.236 3.895 1.00 0.50 H new ATOM 0 HE1 MET A 109 -18.796 3.828 2.999 1.00 0.60 H new ATOM 0 HE2 MET A 109 -18.735 2.050 2.944 1.00 0.60 H new ATOM 0 HE3 MET A 109 -20.212 2.905 2.443 1.00 0.60 H new ATOM 1471 N GLN A 110 -22.017 2.202 9.170 1.00 0.51 N ATOM 1472 CA GLN A 110 -22.930 2.386 10.293 1.00 0.53 C ATOM 1473 C GLN A 110 -24.033 3.363 9.903 1.00 0.56 C ATOM 1474 O GLN A 110 -24.820 3.815 10.738 1.00 0.61 O ATOM 1475 CB GLN A 110 -22.178 2.890 11.527 1.00 0.53 C ATOM 1476 CG GLN A 110 -21.263 1.847 12.147 1.00 0.51 C ATOM 1477 CD GLN A 110 -20.455 2.392 13.307 1.00 0.52 C ATOM 1478 OE1 GLN A 110 -20.123 3.574 13.350 1.00 0.55 O ATOM 1479 NE2 GLN A 110 -20.138 1.532 14.257 1.00 0.53 N ATOM 0 H GLN A 110 -21.442 3.017 8.957 1.00 0.51 H new ATOM 0 HA GLN A 110 -23.378 1.424 10.543 1.00 0.53 H new ATOM 0 HB2 GLN A 110 -21.586 3.763 11.251 1.00 0.53 H new ATOM 0 HB3 GLN A 110 -22.901 3.218 12.274 1.00 0.53 H new ATOM 0 HG2 GLN A 110 -21.861 1.003 12.491 1.00 0.51 H new ATOM 0 HG3 GLN A 110 -20.584 1.466 11.384 1.00 0.51 H new ATOM 0 HE21 GLN A 110 -20.433 0.559 14.183 1.00 0.53 H new ATOM 0 HE22 GLN A 110 -19.598 1.841 15.065 1.00 0.53 H new ATOM 1488 N GLU A 111 -24.074 3.686 8.616 1.00 0.57 N ATOM 1489 CA GLU A 111 -25.075 4.594 8.081 1.00 0.60 C ATOM 1490 C GLU A 111 -26.446 3.927 8.101 1.00 0.63 C ATOM 1491 O GLU A 111 -26.555 2.730 7.845 1.00 0.64 O ATOM 1492 CB GLU A 111 -24.710 5.001 6.651 1.00 0.61 C ATOM 1493 CG GLU A 111 -23.541 5.969 6.570 1.00 0.62 C ATOM 1494 CD GLU A 111 -23.865 7.317 7.180 1.00 0.65 C ATOM 1495 OE1 GLU A 111 -24.980 7.829 6.948 1.00 0.73 O ATOM 1496 OE2 GLU A 111 -23.009 7.874 7.898 1.00 0.67 O ATOM 0 H GLU A 111 -23.419 3.328 7.921 1.00 0.57 H new ATOM 0 HA GLU A 111 -25.106 5.489 8.702 1.00 0.60 H new ATOM 0 HB2 GLU A 111 -24.469 4.105 6.078 1.00 0.61 H new ATOM 0 HB3 GLU A 111 -25.581 5.456 6.179 1.00 0.61 H new ATOM 0 HG2 GLU A 111 -22.680 5.539 7.082 1.00 0.62 H new ATOM 0 HG3 GLU A 111 -23.256 6.104 5.527 1.00 0.62 H new ATOM 1503 N PRO A 112 -27.512 4.685 8.402 1.00 0.67 N ATOM 1504 CA PRO A 112 -28.876 4.145 8.456 1.00 0.71 C ATOM 1505 C PRO A 112 -29.438 3.797 7.080 1.00 0.71 C ATOM 1506 O PRO A 112 -30.467 3.130 6.977 1.00 0.79 O ATOM 1507 CB PRO A 112 -29.698 5.283 9.085 1.00 0.77 C ATOM 1508 CG PRO A 112 -28.712 6.282 9.580 1.00 0.82 C ATOM 1509 CD PRO A 112 -27.486 6.117 8.734 1.00 0.71 C ATOM 0 HA PRO A 112 -28.904 3.211 9.018 1.00 0.71 H new ATOM 0 HB2 PRO A 112 -30.370 5.729 8.352 1.00 0.77 H new ATOM 0 HB3 PRO A 112 -30.318 4.911 9.901 1.00 0.77 H new ATOM 0 HG2 PRO A 112 -29.109 7.294 9.497 1.00 0.82 H new ATOM 0 HG3 PRO A 112 -28.484 6.115 10.633 1.00 0.82 H new ATOM 0 HD2 PRO A 112 -27.524 6.740 7.841 1.00 0.71 H new ATOM 0 HD3 PRO A 112 -26.581 6.391 9.276 1.00 0.71 H new ATOM 1517 N LYS A 113 -28.769 4.251 6.027 1.00 0.72 N ATOM 1518 CA LYS A 113 -29.226 3.987 4.671 1.00 0.75 C ATOM 1519 C LYS A 113 -28.125 3.356 3.832 1.00 0.69 C ATOM 1520 O LYS A 113 -26.985 3.818 3.836 1.00 0.70 O ATOM 1521 CB LYS A 113 -29.698 5.281 4.005 1.00 0.86 C ATOM 1522 CG LYS A 113 -31.078 5.180 3.376 1.00 0.99 C ATOM 1523 CD LYS A 113 -32.162 5.061 4.433 1.00 1.05 C ATOM 1524 CE LYS A 113 -33.545 5.274 3.842 1.00 1.11 C ATOM 1525 NZ LYS A 113 -34.582 5.410 4.898 1.00 1.51 N ATOM 0 H LYS A 113 -27.912 4.801 6.087 1.00 0.72 H new ATOM 0 HA LYS A 113 -30.059 3.287 4.734 1.00 0.75 H new ATOM 0 HB2 LYS A 113 -29.705 6.079 4.747 1.00 0.86 H new ATOM 0 HB3 LYS A 113 -28.979 5.566 3.237 1.00 0.86 H new ATOM 0 HG2 LYS A 113 -31.264 6.060 2.760 1.00 0.99 H new ATOM 0 HG3 LYS A 113 -31.116 4.314 2.715 1.00 0.99 H new ATOM 0 HD2 LYS A 113 -32.112 4.076 4.897 1.00 1.05 H new ATOM 0 HD3 LYS A 113 -31.985 5.794 5.220 1.00 1.05 H new ATOM 0 HE2 LYS A 113 -33.540 6.169 3.220 1.00 1.11 H new ATOM 0 HE3 LYS A 113 -33.796 4.435 3.192 1.00 1.11 H new ATOM 0 HZ1 LYS A 113 -35.512 5.554 4.455 1.00 1.51 H new ATOM 0 HZ2 LYS A 113 -34.604 4.546 5.476 1.00 1.51 H new ATOM 0 HZ3 LYS A 113 -34.357 6.226 5.503 1.00 1.51 H new ATOM 1539 N THR A 114 -28.479 2.298 3.122 1.00 0.69 N ATOM 1540 CA THR A 114 -27.542 1.597 2.254 1.00 0.66 C ATOM 1541 C THR A 114 -27.472 2.284 0.895 1.00 0.67 C ATOM 1542 O THR A 114 -26.599 1.999 0.075 1.00 0.69 O ATOM 1543 CB THR A 114 -27.982 0.135 2.054 1.00 0.70 C ATOM 1544 OG1 THR A 114 -29.400 0.085 1.841 1.00 0.90 O ATOM 1545 CG2 THR A 114 -27.622 -0.716 3.258 1.00 0.86 C ATOM 0 H THR A 114 -29.418 1.901 3.129 1.00 0.69 H new ATOM 0 HA THR A 114 -26.560 1.617 2.727 1.00 0.66 H new ATOM 0 HB THR A 114 -27.459 -0.262 1.184 1.00 0.70 H new ATOM 0 HG1 THR A 114 -29.679 -0.846 1.712 1.00 0.90 H new ATOM 0 HG21 THR A 114 -27.945 -1.743 3.087 1.00 0.86 H new ATOM 0 HG22 THR A 114 -26.543 -0.695 3.408 1.00 0.86 H new ATOM 0 HG23 THR A 114 -28.119 -0.322 4.144 1.00 0.86 H new ATOM 1553 N ASP A 115 -28.405 3.204 0.684 1.00 0.69 N ATOM 1554 CA ASP A 115 -28.520 3.961 -0.558 1.00 0.72 C ATOM 1555 C ASP A 115 -27.271 4.796 -0.848 1.00 0.68 C ATOM 1556 O ASP A 115 -27.048 5.219 -1.984 1.00 0.72 O ATOM 1557 CB ASP A 115 -29.744 4.882 -0.491 1.00 0.79 C ATOM 1558 CG ASP A 115 -31.061 4.124 -0.425 1.00 0.94 C ATOM 1559 OD1 ASP A 115 -31.227 3.272 0.481 1.00 1.14 O ATOM 1560 OD2 ASP A 115 -31.945 4.388 -1.267 1.00 1.19 O ATOM 0 H ASP A 115 -29.111 3.449 1.378 1.00 0.69 H new ATOM 0 HA ASP A 115 -28.631 3.240 -1.368 1.00 0.72 H new ATOM 0 HB2 ASP A 115 -29.659 5.526 0.384 1.00 0.79 H new ATOM 0 HB3 ASP A 115 -29.750 5.532 -1.366 1.00 0.79 H new ATOM 1565 N GLN A 116 -26.454 5.036 0.169 1.00 0.66 N ATOM 1566 CA GLN A 116 -25.242 5.834 -0.004 1.00 0.64 C ATOM 1567 C GLN A 116 -23.994 5.032 0.342 1.00 0.60 C ATOM 1568 O GLN A 116 -22.924 5.603 0.556 1.00 0.59 O ATOM 1569 CB GLN A 116 -25.310 7.093 0.864 1.00 0.70 C ATOM 1570 CG GLN A 116 -26.320 8.122 0.380 1.00 0.77 C ATOM 1571 CD GLN A 116 -25.883 8.810 -0.899 1.00 0.83 C ATOM 1572 OE1 GLN A 116 -26.202 8.363 -2.001 1.00 0.90 O ATOM 1573 NE2 GLN A 116 -25.147 9.900 -0.759 1.00 0.92 N ATOM 0 H GLN A 116 -26.605 4.693 1.118 1.00 0.66 H new ATOM 0 HA GLN A 116 -25.179 6.122 -1.054 1.00 0.64 H new ATOM 0 HB2 GLN A 116 -25.560 6.805 1.885 1.00 0.70 H new ATOM 0 HB3 GLN A 116 -24.323 7.554 0.896 1.00 0.70 H new ATOM 0 HG2 GLN A 116 -27.281 7.634 0.216 1.00 0.77 H new ATOM 0 HG3 GLN A 116 -26.472 8.871 1.158 1.00 0.77 H new ATOM 0 HE21 GLN A 116 -24.906 10.236 0.173 1.00 0.92 H new ATOM 0 HE22 GLN A 116 -24.821 10.405 -1.583 1.00 0.92 H new ATOM 1582 N ASP A 117 -24.125 3.712 0.374 1.00 0.59 N ATOM 1583 CA ASP A 117 -23.002 2.841 0.712 1.00 0.58 C ATOM 1584 C ASP A 117 -21.928 2.889 -0.366 1.00 0.55 C ATOM 1585 O ASP A 117 -20.809 3.350 -0.120 1.00 0.53 O ATOM 1586 CB ASP A 117 -23.480 1.401 0.918 1.00 0.60 C ATOM 1587 CG ASP A 117 -23.876 1.117 2.353 1.00 0.62 C ATOM 1588 OD1 ASP A 117 -23.758 2.026 3.204 1.00 0.67 O ATOM 1589 OD2 ASP A 117 -24.317 -0.019 2.638 1.00 0.64 O ATOM 0 H ASP A 117 -24.995 3.220 0.171 1.00 0.59 H new ATOM 0 HA ASP A 117 -22.567 3.203 1.644 1.00 0.58 H new ATOM 0 HB2 ASP A 117 -24.331 1.208 0.265 1.00 0.60 H new ATOM 0 HB3 ASP A 117 -22.688 0.713 0.621 1.00 0.60 H new ATOM 1594 N GLU A 118 -22.276 2.438 -1.564 1.00 0.56 N ATOM 1595 CA GLU A 118 -21.337 2.421 -2.679 1.00 0.56 C ATOM 1596 C GLU A 118 -20.927 3.839 -3.066 1.00 0.55 C ATOM 1597 O GLU A 118 -19.794 4.073 -3.483 1.00 0.55 O ATOM 1598 CB GLU A 118 -21.951 1.693 -3.875 1.00 0.59 C ATOM 1599 CG GLU A 118 -22.058 0.189 -3.677 1.00 0.62 C ATOM 1600 CD GLU A 118 -20.701 -0.481 -3.582 1.00 0.64 C ATOM 1601 OE1 GLU A 118 -20.134 -0.836 -4.638 1.00 0.85 O ATOM 1602 OE2 GLU A 118 -20.185 -0.656 -2.461 1.00 0.70 O ATOM 0 H GLU A 118 -23.204 2.078 -1.789 1.00 0.56 H new ATOM 0 HA GLU A 118 -20.441 1.885 -2.366 1.00 0.56 H new ATOM 0 HB2 GLU A 118 -22.945 2.098 -4.067 1.00 0.59 H new ATOM 0 HB3 GLU A 118 -21.349 1.893 -4.761 1.00 0.59 H new ATOM 0 HG2 GLU A 118 -22.625 -0.015 -2.769 1.00 0.62 H new ATOM 0 HG3 GLU A 118 -22.617 -0.245 -4.506 1.00 0.62 H new ATOM 1609 N GLU A 119 -21.852 4.784 -2.910 1.00 0.57 N ATOM 1610 CA GLU A 119 -21.580 6.182 -3.227 1.00 0.59 C ATOM 1611 C GLU A 119 -20.451 6.704 -2.338 1.00 0.56 C ATOM 1612 O GLU A 119 -19.534 7.381 -2.808 1.00 0.57 O ATOM 1613 CB GLU A 119 -22.842 7.028 -3.039 1.00 0.64 C ATOM 1614 CG GLU A 119 -22.756 8.397 -3.693 1.00 0.71 C ATOM 1615 CD GLU A 119 -22.876 8.337 -5.203 1.00 0.84 C ATOM 1616 OE1 GLU A 119 -21.874 8.024 -5.881 1.00 1.12 O ATOM 1617 OE2 GLU A 119 -23.977 8.609 -5.724 1.00 1.25 O ATOM 0 H GLU A 119 -22.796 4.606 -2.566 1.00 0.57 H new ATOM 0 HA GLU A 119 -21.272 6.255 -4.270 1.00 0.59 H new ATOM 0 HB2 GLU A 119 -23.696 6.490 -3.451 1.00 0.64 H new ATOM 0 HB3 GLU A 119 -23.030 7.154 -1.973 1.00 0.64 H new ATOM 0 HG2 GLU A 119 -23.546 9.034 -3.296 1.00 0.71 H new ATOM 0 HG3 GLU A 119 -21.807 8.862 -3.427 1.00 0.71 H new ATOM 1624 N HIS A 120 -20.515 6.363 -1.052 1.00 0.55 N ATOM 1625 CA HIS A 120 -19.496 6.782 -0.095 1.00 0.54 C ATOM 1626 C HIS A 120 -18.155 6.169 -0.466 1.00 0.51 C ATOM 1627 O HIS A 120 -17.112 6.809 -0.352 1.00 0.52 O ATOM 1628 CB HIS A 120 -19.876 6.364 1.330 1.00 0.55 C ATOM 1629 CG HIS A 120 -20.641 7.405 2.084 1.00 0.59 C ATOM 1630 ND1 HIS A 120 -21.796 7.132 2.785 1.00 0.64 N ATOM 1631 CD2 HIS A 120 -20.400 8.728 2.258 1.00 0.71 C ATOM 1632 CE1 HIS A 120 -22.237 8.241 3.351 1.00 0.68 C ATOM 1633 NE2 HIS A 120 -21.406 9.219 3.049 1.00 0.74 N ATOM 0 H HIS A 120 -21.263 5.797 -0.650 1.00 0.55 H new ATOM 0 HA HIS A 120 -19.424 7.869 -0.129 1.00 0.54 H new ATOM 0 HB2 HIS A 120 -20.471 5.452 1.284 1.00 0.55 H new ATOM 0 HB3 HIS A 120 -18.967 6.124 1.882 1.00 0.55 H new ATOM 0 HD2 HIS A 120 -19.572 9.289 1.850 1.00 0.71 H new ATOM 0 HE1 HIS A 120 -23.126 8.331 3.957 1.00 0.68 H new ATOM 0 HE2 HIS A 120 -21.497 10.188 3.355 1.00 0.74 H new ATOM 1642 N CYS A 121 -18.204 4.924 -0.923 1.00 0.49 N ATOM 1643 CA CYS A 121 -17.006 4.198 -1.327 1.00 0.48 C ATOM 1644 C CYS A 121 -16.332 4.881 -2.514 1.00 0.48 C ATOM 1645 O CYS A 121 -15.111 5.039 -2.540 1.00 0.47 O ATOM 1646 CB CYS A 121 -17.367 2.757 -1.690 1.00 0.49 C ATOM 1647 SG CYS A 121 -15.960 1.731 -2.180 1.00 0.48 S ATOM 0 H CYS A 121 -19.068 4.392 -1.024 1.00 0.49 H new ATOM 0 HA CYS A 121 -16.307 4.194 -0.490 1.00 0.48 H new ATOM 0 HB2 CYS A 121 -17.859 2.293 -0.835 1.00 0.49 H new ATOM 0 HB3 CYS A 121 -18.091 2.772 -2.505 1.00 0.49 H new ATOM 0 HG CYS A 121 -14.968 1.937 -1.365 1.00 0.48 H new ATOM 1653 N ARG A 122 -17.138 5.286 -3.491 1.00 0.51 N ATOM 1654 CA ARG A 122 -16.621 5.959 -4.679 1.00 0.54 C ATOM 1655 C ARG A 122 -15.956 7.278 -4.303 1.00 0.53 C ATOM 1656 O ARG A 122 -14.888 7.614 -4.816 1.00 0.54 O ATOM 1657 CB ARG A 122 -17.738 6.196 -5.696 1.00 0.59 C ATOM 1658 CG ARG A 122 -18.280 4.911 -6.302 1.00 0.85 C ATOM 1659 CD ARG A 122 -19.113 5.182 -7.544 1.00 0.89 C ATOM 1660 NE ARG A 122 -20.422 5.756 -7.221 1.00 1.09 N ATOM 1661 CZ ARG A 122 -21.586 5.207 -7.567 1.00 0.97 C ATOM 1662 NH1 ARG A 122 -21.620 4.059 -8.236 1.00 1.44 N ATOM 1663 NH2 ARG A 122 -22.721 5.817 -7.247 1.00 1.52 N ATOM 0 H ARG A 122 -18.150 5.160 -3.484 1.00 0.51 H new ATOM 0 HA ARG A 122 -15.872 5.313 -5.136 1.00 0.54 H new ATOM 0 HB2 ARG A 122 -18.553 6.734 -5.212 1.00 0.59 H new ATOM 0 HB3 ARG A 122 -17.364 6.837 -6.494 1.00 0.59 H new ATOM 0 HG2 ARG A 122 -17.451 4.251 -6.557 1.00 0.85 H new ATOM 0 HG3 ARG A 122 -18.888 4.388 -5.563 1.00 0.85 H new ATOM 0 HD2 ARG A 122 -18.572 5.864 -8.200 1.00 0.89 H new ATOM 0 HD3 ARG A 122 -19.252 4.252 -8.095 1.00 0.89 H new ATOM 0 HE ARG A 122 -20.444 6.631 -6.698 1.00 1.09 H new ATOM 0 HH11 ARG A 122 -20.750 3.590 -8.489 1.00 1.44 H new ATOM 0 HH12 ARG A 122 -22.516 3.647 -8.496 1.00 1.44 H new ATOM 0 HH21 ARG A 122 -22.699 6.701 -6.739 1.00 1.52 H new ATOM 0 HH22 ARG A 122 -23.615 5.401 -7.509 1.00 1.52 H new ATOM 1677 N LYS A 123 -16.593 8.018 -3.398 1.00 0.53 N ATOM 1678 CA LYS A 123 -16.055 9.293 -2.938 1.00 0.53 C ATOM 1679 C LYS A 123 -14.667 9.099 -2.340 1.00 0.51 C ATOM 1680 O LYS A 123 -13.727 9.828 -2.662 1.00 0.53 O ATOM 1681 CB LYS A 123 -16.977 9.928 -1.893 1.00 0.56 C ATOM 1682 CG LYS A 123 -18.159 10.679 -2.483 1.00 0.63 C ATOM 1683 CD LYS A 123 -18.953 11.389 -1.397 1.00 0.73 C ATOM 1684 CE LYS A 123 -19.962 12.365 -1.982 1.00 0.85 C ATOM 1685 NZ LYS A 123 -20.624 13.174 -0.924 1.00 1.12 N ATOM 0 H LYS A 123 -17.481 7.756 -2.970 1.00 0.53 H new ATOM 0 HA LYS A 123 -15.987 9.958 -3.799 1.00 0.53 H new ATOM 0 HB2 LYS A 123 -17.350 9.147 -1.231 1.00 0.56 H new ATOM 0 HB3 LYS A 123 -16.394 10.614 -1.279 1.00 0.56 H new ATOM 0 HG2 LYS A 123 -17.804 11.406 -3.213 1.00 0.63 H new ATOM 0 HG3 LYS A 123 -18.807 9.983 -3.016 1.00 0.63 H new ATOM 0 HD2 LYS A 123 -19.473 10.651 -0.786 1.00 0.73 H new ATOM 0 HD3 LYS A 123 -18.269 11.924 -0.738 1.00 0.73 H new ATOM 0 HE2 LYS A 123 -19.460 13.028 -2.686 1.00 0.85 H new ATOM 0 HE3 LYS A 123 -20.716 11.815 -2.544 1.00 0.85 H new ATOM 0 HZ1 LYS A 123 -21.305 13.827 -1.361 1.00 1.12 H new ATOM 0 HZ2 LYS A 123 -21.124 12.543 -0.266 1.00 1.12 H new ATOM 0 HZ3 LYS A 123 -19.907 13.719 -0.404 1.00 1.12 H new ATOM 1699 N VAL A 124 -14.547 8.092 -1.482 1.00 0.48 N ATOM 1700 CA VAL A 124 -13.283 7.777 -0.833 1.00 0.46 C ATOM 1701 C VAL A 124 -12.205 7.458 -1.867 1.00 0.45 C ATOM 1702 O VAL A 124 -11.122 8.041 -1.842 1.00 0.45 O ATOM 1703 CB VAL A 124 -13.436 6.584 0.135 1.00 0.45 C ATOM 1704 CG1 VAL A 124 -12.091 6.176 0.713 1.00 0.43 C ATOM 1705 CG2 VAL A 124 -14.405 6.927 1.255 1.00 0.50 C ATOM 0 H VAL A 124 -15.317 7.477 -1.219 1.00 0.48 H new ATOM 0 HA VAL A 124 -12.982 8.656 -0.263 1.00 0.46 H new ATOM 0 HB VAL A 124 -13.836 5.742 -0.430 1.00 0.45 H new ATOM 0 HG11 VAL A 124 -12.227 5.334 1.391 1.00 0.43 H new ATOM 0 HG12 VAL A 124 -11.420 5.886 -0.096 1.00 0.43 H new ATOM 0 HG13 VAL A 124 -11.660 7.015 1.258 1.00 0.43 H new ATOM 0 HG21 VAL A 124 -14.500 6.074 1.927 1.00 0.50 H new ATOM 0 HG22 VAL A 124 -14.030 7.787 1.810 1.00 0.50 H new ATOM 0 HG23 VAL A 124 -15.381 7.166 0.832 1.00 0.50 H new ATOM 1715 N ASN A 125 -12.520 6.556 -2.786 1.00 0.46 N ATOM 1716 CA ASN A 125 -11.576 6.146 -3.826 1.00 0.48 C ATOM 1717 C ASN A 125 -11.112 7.328 -4.665 1.00 0.49 C ATOM 1718 O ASN A 125 -9.919 7.469 -4.950 1.00 0.52 O ATOM 1719 CB ASN A 125 -12.208 5.091 -4.735 1.00 0.50 C ATOM 1720 CG ASN A 125 -11.913 3.679 -4.282 1.00 0.51 C ATOM 1721 OD1 ASN A 125 -10.840 3.392 -3.745 1.00 0.69 O ATOM 1722 ND2 ASN A 125 -12.863 2.784 -4.496 1.00 0.77 N ATOM 0 H ASN A 125 -13.426 6.090 -2.836 1.00 0.46 H new ATOM 0 HA ASN A 125 -10.706 5.722 -3.324 1.00 0.48 H new ATOM 0 HB2 ASN A 125 -13.287 5.241 -4.763 1.00 0.50 H new ATOM 0 HB3 ASN A 125 -11.840 5.226 -5.752 1.00 0.50 H new ATOM 0 HD21 ASN A 125 -12.723 1.814 -4.214 1.00 0.77 H new ATOM 0 HD22 ASN A 125 -13.736 3.064 -4.943 1.00 0.77 H new ATOM 1729 N GLU A 126 -12.053 8.179 -5.047 1.00 0.52 N ATOM 1730 CA GLU A 126 -11.751 9.339 -5.873 1.00 0.56 C ATOM 1731 C GLU A 126 -10.881 10.361 -5.145 1.00 0.55 C ATOM 1732 O GLU A 126 -9.878 10.817 -5.686 1.00 0.64 O ATOM 1733 CB GLU A 126 -13.047 9.997 -6.346 1.00 0.64 C ATOM 1734 CG GLU A 126 -13.772 9.204 -7.422 1.00 0.76 C ATOM 1735 CD GLU A 126 -15.049 9.873 -7.887 1.00 0.91 C ATOM 1736 OE1 GLU A 126 -15.031 11.099 -8.128 1.00 1.30 O ATOM 1737 OE2 GLU A 126 -16.075 9.175 -8.027 1.00 1.27 O ATOM 0 H GLU A 126 -13.037 8.087 -4.796 1.00 0.52 H new ATOM 0 HA GLU A 126 -11.183 8.984 -6.733 1.00 0.56 H new ATOM 0 HB2 GLU A 126 -13.712 10.128 -5.492 1.00 0.64 H new ATOM 0 HB3 GLU A 126 -12.821 10.992 -6.729 1.00 0.64 H new ATOM 0 HG2 GLU A 126 -13.108 9.067 -8.275 1.00 0.76 H new ATOM 0 HG3 GLU A 126 -14.007 8.211 -7.039 1.00 0.76 H new ATOM 1744 N TYR A 127 -11.249 10.702 -3.915 1.00 0.53 N ATOM 1745 CA TYR A 127 -10.510 11.694 -3.137 1.00 0.55 C ATOM 1746 C TYR A 127 -9.134 11.197 -2.700 1.00 0.52 C ATOM 1747 O TYR A 127 -8.195 11.984 -2.586 1.00 0.60 O ATOM 1748 CB TYR A 127 -11.323 12.114 -1.912 1.00 0.59 C ATOM 1749 CG TYR A 127 -12.337 13.198 -2.204 1.00 0.62 C ATOM 1750 CD1 TYR A 127 -13.626 12.880 -2.618 1.00 0.69 C ATOM 1751 CD2 TYR A 127 -12.010 14.542 -2.059 1.00 0.73 C ATOM 1752 CE1 TYR A 127 -14.556 13.868 -2.880 1.00 0.74 C ATOM 1753 CE2 TYR A 127 -12.937 15.534 -2.317 1.00 0.79 C ATOM 1754 CZ TYR A 127 -14.207 15.191 -2.727 1.00 0.74 C ATOM 1755 OH TYR A 127 -15.137 16.176 -2.981 1.00 0.84 O ATOM 0 H TYR A 127 -12.056 10.306 -3.433 1.00 0.53 H new ATOM 0 HA TYR A 127 -10.350 12.552 -3.790 1.00 0.55 H new ATOM 0 HB2 TYR A 127 -11.840 11.242 -1.512 1.00 0.59 H new ATOM 0 HB3 TYR A 127 -10.642 12.464 -1.136 1.00 0.59 H new ATOM 0 HD1 TYR A 127 -13.905 11.843 -2.737 1.00 0.69 H new ATOM 0 HD2 TYR A 127 -11.015 14.815 -1.739 1.00 0.73 H new ATOM 0 HE1 TYR A 127 -15.552 13.604 -3.203 1.00 0.74 H new ATOM 0 HE2 TYR A 127 -12.667 16.573 -2.198 1.00 0.79 H new ATOM 0 HH TYR A 127 -14.733 17.055 -2.825 1.00 0.84 H new ATOM 1765 N LEU A 128 -9.008 9.903 -2.457 1.00 0.49 N ATOM 1766 CA LEU A 128 -7.733 9.348 -2.016 1.00 0.49 C ATOM 1767 C LEU A 128 -6.749 9.194 -3.169 1.00 0.53 C ATOM 1768 O LEU A 128 -5.534 9.236 -2.967 1.00 0.69 O ATOM 1769 CB LEU A 128 -7.935 7.996 -1.327 1.00 0.46 C ATOM 1770 CG LEU A 128 -8.735 8.032 -0.022 1.00 0.42 C ATOM 1771 CD1 LEU A 128 -8.628 6.700 0.704 1.00 0.49 C ATOM 1772 CD2 LEU A 128 -8.268 9.168 0.878 1.00 0.44 C ATOM 0 H LEU A 128 -9.761 9.222 -2.555 1.00 0.49 H new ATOM 0 HA LEU A 128 -7.311 10.056 -1.302 1.00 0.49 H new ATOM 0 HB2 LEU A 128 -8.439 7.325 -2.023 1.00 0.46 H new ATOM 0 HB3 LEU A 128 -6.956 7.564 -1.120 1.00 0.46 H new ATOM 0 HG LEU A 128 -9.781 8.210 -0.273 1.00 0.42 H new ATOM 0 HD11 LEU A 128 -9.202 6.743 1.629 1.00 0.49 H new ATOM 0 HD12 LEU A 128 -9.022 5.907 0.069 1.00 0.49 H new ATOM 0 HD13 LEU A 128 -7.583 6.494 0.935 1.00 0.49 H new ATOM 0 HD21 LEU A 128 -8.854 9.169 1.797 1.00 0.44 H new ATOM 0 HD22 LEU A 128 -7.214 9.031 1.120 1.00 0.44 H new ATOM 0 HD23 LEU A 128 -8.401 10.119 0.362 1.00 0.44 H new ATOM 1784 N ASN A 129 -7.262 9.043 -4.380 1.00 0.54 N ATOM 1785 CA ASN A 129 -6.394 8.861 -5.538 1.00 0.59 C ATOM 1786 C ASN A 129 -6.194 10.146 -6.333 1.00 0.65 C ATOM 1787 O ASN A 129 -5.143 10.343 -6.937 1.00 0.78 O ATOM 1788 CB ASN A 129 -6.934 7.761 -6.453 1.00 0.64 C ATOM 1789 CG ASN A 129 -6.410 6.390 -6.067 1.00 0.68 C ATOM 1790 OD1 ASN A 129 -5.353 5.962 -6.535 1.00 0.81 O ATOM 1791 ND2 ASN A 129 -7.142 5.690 -5.214 1.00 0.89 N ATOM 0 H ASN A 129 -8.261 9.042 -4.588 1.00 0.54 H new ATOM 0 HA ASN A 129 -5.420 8.565 -5.149 1.00 0.59 H new ATOM 0 HB2 ASN A 129 -8.023 7.757 -6.411 1.00 0.64 H new ATOM 0 HB3 ASN A 129 -6.655 7.978 -7.484 1.00 0.64 H new ATOM 0 HD21 ASN A 129 -6.837 4.762 -4.922 1.00 0.89 H new ATOM 0 HD22 ASN A 129 -8.011 6.079 -4.849 1.00 0.89 H new ATOM 1798 N ASN A 130 -7.185 11.022 -6.342 1.00 0.67 N ATOM 1799 CA ASN A 130 -7.068 12.269 -7.089 1.00 0.74 C ATOM 1800 C ASN A 130 -6.911 13.454 -6.152 1.00 0.80 C ATOM 1801 O ASN A 130 -7.893 13.815 -5.470 1.00 0.99 O ATOM 1802 CB ASN A 130 -8.279 12.477 -8.002 1.00 0.82 C ATOM 1803 CG ASN A 130 -8.192 11.648 -9.267 1.00 0.91 C ATOM 1804 OD1 ASN A 130 -7.572 12.054 -10.250 1.00 1.10 O ATOM 1805 ND2 ASN A 130 -8.821 10.483 -9.254 1.00 1.09 N ATOM 0 H ASN A 130 -8.069 10.898 -5.849 1.00 0.67 H new ATOM 0 HA ASN A 130 -6.174 12.198 -7.709 1.00 0.74 H new ATOM 0 HB2 ASN A 130 -9.189 12.216 -7.461 1.00 0.82 H new ATOM 0 HB3 ASN A 130 -8.356 13.532 -8.266 1.00 0.82 H new ATOM 0 HD21 ASN A 130 -8.803 9.885 -10.080 1.00 1.09 H new ATOM 0 HD22 ASN A 130 -9.323 10.184 -8.418 1.00 1.09 H new ATOM 1813 N ALA B 26 37.633 -8.819 7.166 1.00 1.24 N ATOM 1814 CA ALA B 26 36.593 -8.207 8.021 1.00 1.15 C ATOM 1815 C ALA B 26 35.245 -8.217 7.316 1.00 1.06 C ATOM 1816 O ALA B 26 35.109 -7.671 6.221 1.00 1.08 O ATOM 1817 CB ALA B 26 36.979 -6.785 8.388 1.00 1.27 C ATOM 0 HA ALA B 26 36.512 -8.796 8.934 1.00 1.15 H new ATOM 0 HB1 ALA B 26 36.203 -6.348 9.017 1.00 1.27 H new ATOM 0 HB2 ALA B 26 37.925 -6.793 8.930 1.00 1.27 H new ATOM 0 HB3 ALA B 26 37.086 -6.191 7.480 1.00 1.27 H new ATOM 1825 N PRO B 27 34.234 -8.854 7.922 1.00 1.03 N ATOM 1826 CA PRO B 27 32.890 -8.925 7.347 1.00 0.98 C ATOM 1827 C PRO B 27 32.153 -7.591 7.446 1.00 0.96 C ATOM 1828 O PRO B 27 32.402 -6.799 8.358 1.00 1.05 O ATOM 1829 CB PRO B 27 32.195 -9.988 8.198 1.00 1.03 C ATOM 1830 CG PRO B 27 32.905 -9.969 9.506 1.00 1.15 C ATOM 1831 CD PRO B 27 34.325 -9.570 9.212 1.00 1.12 C ATOM 0 HA PRO B 27 32.910 -9.163 6.283 1.00 0.98 H new ATOM 0 HB2 PRO B 27 31.136 -9.762 8.322 1.00 1.03 H new ATOM 0 HB3 PRO B 27 32.259 -10.970 7.730 1.00 1.03 H new ATOM 0 HG2 PRO B 27 32.437 -9.263 10.192 1.00 1.15 H new ATOM 0 HG3 PRO B 27 32.867 -10.949 9.983 1.00 1.15 H new ATOM 0 HD2 PRO B 27 34.731 -8.931 9.996 1.00 1.12 H new ATOM 0 HD3 PRO B 27 34.978 -10.440 9.141 1.00 1.12 H new ATOM 1839 N ALA B 28 31.253 -7.350 6.506 1.00 0.95 N ATOM 1840 CA ALA B 28 30.479 -6.118 6.486 1.00 0.96 C ATOM 1841 C ALA B 28 28.990 -6.423 6.421 1.00 0.90 C ATOM 1842 O ALA B 28 28.195 -5.580 6.004 1.00 0.88 O ATOM 1843 CB ALA B 28 30.890 -5.249 5.304 1.00 1.04 C ATOM 0 H ALA B 28 31.040 -7.994 5.744 1.00 0.95 H new ATOM 0 HA ALA B 28 30.682 -5.572 7.407 1.00 0.96 H new ATOM 0 HB1 ALA B 28 30.301 -4.332 5.305 1.00 1.04 H new ATOM 0 HB2 ALA B 28 31.948 -5.001 5.385 1.00 1.04 H new ATOM 0 HB3 ALA B 28 30.715 -5.792 4.375 1.00 1.04 H new ATOM 1849 N GLU B 29 28.632 -7.634 6.857 1.00 0.93 N ATOM 1850 CA GLU B 29 27.246 -8.102 6.856 1.00 0.90 C ATOM 1851 C GLU B 29 26.681 -8.138 5.438 1.00 0.85 C ATOM 1852 O GLU B 29 26.088 -7.166 4.971 1.00 0.82 O ATOM 1853 CB GLU B 29 26.367 -7.234 7.764 1.00 0.91 C ATOM 1854 CG GLU B 29 26.665 -7.410 9.243 1.00 1.14 C ATOM 1855 CD GLU B 29 25.759 -6.580 10.128 1.00 1.10 C ATOM 1856 OE1 GLU B 29 24.577 -6.951 10.297 1.00 1.29 O ATOM 1857 OE2 GLU B 29 26.228 -5.556 10.670 1.00 1.30 O ATOM 0 H GLU B 29 29.297 -8.317 7.221 1.00 0.93 H new ATOM 0 HA GLU B 29 27.241 -9.118 7.251 1.00 0.90 H new ATOM 0 HB2 GLU B 29 26.504 -6.186 7.496 1.00 0.91 H new ATOM 0 HB3 GLU B 29 25.320 -7.475 7.581 1.00 0.91 H new ATOM 0 HG2 GLU B 29 26.559 -8.462 9.507 1.00 1.14 H new ATOM 0 HG3 GLU B 29 27.702 -7.136 9.435 1.00 1.14 H new ATOM 1864 N PRO B 30 26.843 -9.274 4.735 1.00 0.88 N ATOM 1865 CA PRO B 30 26.353 -9.437 3.360 1.00 0.88 C ATOM 1866 C PRO B 30 24.833 -9.598 3.291 1.00 0.82 C ATOM 1867 O PRO B 30 24.307 -10.329 2.449 1.00 0.85 O ATOM 1868 CB PRO B 30 27.049 -10.718 2.896 1.00 1.00 C ATOM 1869 CG PRO B 30 27.294 -11.499 4.138 1.00 1.07 C ATOM 1870 CD PRO B 30 27.522 -10.491 5.228 1.00 0.98 C ATOM 0 HA PRO B 30 26.568 -8.564 2.743 1.00 0.88 H new ATOM 0 HB2 PRO B 30 26.425 -11.275 2.197 1.00 1.00 H new ATOM 0 HB3 PRO B 30 27.983 -10.494 2.380 1.00 1.00 H new ATOM 0 HG2 PRO B 30 26.442 -12.138 4.371 1.00 1.07 H new ATOM 0 HG3 PRO B 30 28.160 -12.151 4.023 1.00 1.07 H new ATOM 0 HD2 PRO B 30 27.102 -10.826 6.176 1.00 0.98 H new ATOM 0 HD3 PRO B 30 28.585 -10.316 5.394 1.00 0.98 H new ATOM 1878 N LYS B 31 24.135 -8.900 4.169 1.00 0.78 N ATOM 1879 CA LYS B 31 22.689 -8.954 4.224 1.00 0.74 C ATOM 1880 C LYS B 31 22.099 -7.830 3.395 1.00 0.69 C ATOM 1881 O LYS B 31 21.910 -6.720 3.884 1.00 0.73 O ATOM 1882 CB LYS B 31 22.209 -8.848 5.673 1.00 0.76 C ATOM 1883 CG LYS B 31 22.698 -9.981 6.562 1.00 0.92 C ATOM 1884 CD LYS B 31 21.572 -10.937 6.919 1.00 1.11 C ATOM 1885 CE LYS B 31 21.152 -11.782 5.726 1.00 1.32 C ATOM 1886 NZ LYS B 31 19.956 -12.610 6.024 1.00 1.45 N ATOM 0 H LYS B 31 24.556 -8.281 4.862 1.00 0.78 H new ATOM 0 HA LYS B 31 22.356 -9.908 3.816 1.00 0.74 H new ATOM 0 HB2 LYS B 31 22.546 -7.899 6.090 1.00 0.76 H new ATOM 0 HB3 LYS B 31 21.119 -8.832 5.685 1.00 0.76 H new ATOM 0 HG2 LYS B 31 23.492 -10.527 6.053 1.00 0.92 H new ATOM 0 HG3 LYS B 31 23.129 -9.569 7.474 1.00 0.92 H new ATOM 0 HD2 LYS B 31 21.892 -11.589 7.732 1.00 1.11 H new ATOM 0 HD3 LYS B 31 20.715 -10.370 7.283 1.00 1.11 H new ATOM 0 HE2 LYS B 31 20.940 -11.131 4.878 1.00 1.32 H new ATOM 0 HE3 LYS B 31 21.978 -12.430 5.432 1.00 1.32 H new ATOM 0 HZ1 LYS B 31 19.704 -13.170 5.185 1.00 1.45 H new ATOM 0 HZ2 LYS B 31 20.165 -13.250 6.817 1.00 1.45 H new ATOM 0 HZ3 LYS B 31 19.160 -11.991 6.279 1.00 1.45 H new ATOM 1900 N ILE B 32 21.841 -8.115 2.136 1.00 0.68 N ATOM 1901 CA ILE B 32 21.277 -7.130 1.234 1.00 0.66 C ATOM 1902 C ILE B 32 19.761 -7.300 1.155 1.00 0.62 C ATOM 1903 O ILE B 32 19.259 -8.413 0.969 1.00 0.67 O ATOM 1904 CB ILE B 32 21.907 -7.235 -0.182 1.00 0.71 C ATOM 1905 CG1 ILE B 32 23.235 -6.477 -0.241 1.00 0.88 C ATOM 1906 CG2 ILE B 32 20.961 -6.713 -1.254 1.00 0.80 C ATOM 1907 CD1 ILE B 32 24.384 -7.210 0.412 1.00 1.20 C ATOM 0 H ILE B 32 22.014 -9.026 1.711 1.00 0.68 H new ATOM 0 HA ILE B 32 21.505 -6.140 1.628 1.00 0.66 H new ATOM 0 HB ILE B 32 22.093 -8.291 -0.379 1.00 0.71 H new ATOM 0 HG12 ILE B 32 23.486 -6.282 -1.284 1.00 0.88 H new ATOM 0 HG13 ILE B 32 23.112 -5.508 0.243 1.00 0.88 H new ATOM 0 HG21 ILE B 32 21.435 -6.802 -2.232 1.00 0.80 H new ATOM 0 HG22 ILE B 32 20.040 -7.297 -1.242 1.00 0.80 H new ATOM 0 HG23 ILE B 32 20.730 -5.666 -1.057 1.00 0.80 H new ATOM 0 HD11 ILE B 32 25.291 -6.611 0.330 1.00 1.20 H new ATOM 0 HD12 ILE B 32 24.156 -7.381 1.464 1.00 1.20 H new ATOM 0 HD13 ILE B 32 24.535 -8.167 -0.087 1.00 1.20 H new ATOM 1919 N ILE B 33 19.042 -6.199 1.324 1.00 0.58 N ATOM 1920 CA ILE B 33 17.587 -6.213 1.268 1.00 0.56 C ATOM 1921 C ILE B 33 17.097 -5.674 -0.071 1.00 0.54 C ATOM 1922 O ILE B 33 17.786 -4.888 -0.725 1.00 0.60 O ATOM 1923 CB ILE B 33 16.956 -5.382 2.409 1.00 0.56 C ATOM 1924 CG1 ILE B 33 17.545 -3.969 2.436 1.00 0.59 C ATOM 1925 CG2 ILE B 33 17.159 -6.076 3.751 1.00 0.67 C ATOM 1926 CD1 ILE B 33 16.684 -2.967 3.172 1.00 0.67 C ATOM 0 H ILE B 33 19.446 -5.279 1.502 1.00 0.58 H new ATOM 0 HA ILE B 33 17.276 -7.251 1.386 1.00 0.56 H new ATOM 0 HB ILE B 33 15.885 -5.301 2.224 1.00 0.56 H new ATOM 0 HG12 ILE B 33 18.529 -4.004 2.905 1.00 0.59 H new ATOM 0 HG13 ILE B 33 17.692 -3.626 1.412 1.00 0.59 H new ATOM 0 HG21 ILE B 33 16.708 -5.477 4.542 1.00 0.67 H new ATOM 0 HG22 ILE B 33 16.688 -7.059 3.727 1.00 0.67 H new ATOM 0 HG23 ILE B 33 18.226 -6.189 3.944 1.00 0.67 H new ATOM 0 HD11 ILE B 33 17.164 -1.989 3.150 1.00 0.67 H new ATOM 0 HD12 ILE B 33 15.708 -2.903 2.691 1.00 0.67 H new ATOM 0 HD13 ILE B 33 16.558 -3.286 4.207 1.00 0.67 H new ATOM 1938 N LYS B 34 15.913 -6.102 -0.478 1.00 0.53 N ATOM 1939 CA LYS B 34 15.340 -5.662 -1.738 1.00 0.53 C ATOM 1940 C LYS B 34 14.245 -4.633 -1.490 1.00 0.48 C ATOM 1941 O LYS B 34 13.207 -4.944 -0.907 1.00 0.57 O ATOM 1942 CB LYS B 34 14.779 -6.853 -2.516 1.00 0.58 C ATOM 1943 CG LYS B 34 15.846 -7.676 -3.215 1.00 0.76 C ATOM 1944 CD LYS B 34 15.247 -8.875 -3.932 1.00 0.87 C ATOM 1945 CE LYS B 34 16.108 -9.316 -5.105 1.00 1.07 C ATOM 1946 NZ LYS B 34 17.505 -9.623 -4.694 1.00 1.31 N ATOM 0 H LYS B 34 15.330 -6.754 0.047 1.00 0.53 H new ATOM 0 HA LYS B 34 16.128 -5.199 -2.332 1.00 0.53 H new ATOM 0 HB2 LYS B 34 14.226 -7.496 -1.831 1.00 0.58 H new ATOM 0 HB3 LYS B 34 14.067 -6.490 -3.258 1.00 0.58 H new ATOM 0 HG2 LYS B 34 16.377 -7.050 -3.932 1.00 0.76 H new ATOM 0 HG3 LYS B 34 16.580 -8.017 -2.485 1.00 0.76 H new ATOM 0 HD2 LYS B 34 15.137 -9.702 -3.230 1.00 0.87 H new ATOM 0 HD3 LYS B 34 14.248 -8.624 -4.288 1.00 0.87 H new ATOM 0 HE2 LYS B 34 15.665 -10.198 -5.567 1.00 1.07 H new ATOM 0 HE3 LYS B 34 16.118 -8.531 -5.861 1.00 1.07 H new ATOM 0 HZ1 LYS B 34 18.022 -10.031 -5.499 1.00 1.31 H new ATOM 0 HZ2 LYS B 34 17.977 -8.748 -4.387 1.00 1.31 H new ATOM 0 HZ3 LYS B 34 17.494 -10.304 -3.908 1.00 1.31 H new ATOM 1960 N VAL B 35 14.483 -3.409 -1.926 1.00 0.44 N ATOM 1961 CA VAL B 35 13.521 -2.334 -1.741 1.00 0.41 C ATOM 1962 C VAL B 35 13.010 -1.835 -3.090 1.00 0.42 C ATOM 1963 O VAL B 35 13.770 -1.307 -3.903 1.00 0.45 O ATOM 1964 CB VAL B 35 14.136 -1.166 -0.929 1.00 0.40 C ATOM 1965 CG1 VAL B 35 15.519 -0.794 -1.449 1.00 0.42 C ATOM 1966 CG2 VAL B 35 13.216 0.049 -0.934 1.00 0.40 C ATOM 0 H VAL B 35 15.336 -3.133 -2.412 1.00 0.44 H new ATOM 0 HA VAL B 35 12.679 -2.731 -1.174 1.00 0.41 H new ATOM 0 HB VAL B 35 14.246 -1.507 0.100 1.00 0.40 H new ATOM 0 HG11 VAL B 35 15.921 0.028 -0.857 1.00 0.42 H new ATOM 0 HG12 VAL B 35 16.181 -1.656 -1.370 1.00 0.42 H new ATOM 0 HG13 VAL B 35 15.445 -0.488 -2.492 1.00 0.42 H new ATOM 0 HG21 VAL B 35 13.672 0.853 -0.357 1.00 0.40 H new ATOM 0 HG22 VAL B 35 13.059 0.382 -1.960 1.00 0.40 H new ATOM 0 HG23 VAL B 35 12.258 -0.218 -0.489 1.00 0.40 H new ATOM 1976 N THR B 36 11.724 -2.028 -3.338 1.00 0.41 N ATOM 1977 CA THR B 36 11.127 -1.593 -4.587 1.00 0.43 C ATOM 1978 C THR B 36 10.523 -0.202 -4.436 1.00 0.39 C ATOM 1979 O THR B 36 9.523 -0.019 -3.737 1.00 0.40 O ATOM 1980 CB THR B 36 10.045 -2.576 -5.061 1.00 0.48 C ATOM 1981 OG1 THR B 36 10.265 -3.873 -4.487 1.00 0.56 O ATOM 1982 CG2 THR B 36 10.059 -2.684 -6.574 1.00 0.57 C ATOM 0 H THR B 36 11.077 -2.481 -2.693 1.00 0.41 H new ATOM 0 HA THR B 36 11.919 -1.562 -5.336 1.00 0.43 H new ATOM 0 HB THR B 36 9.074 -2.201 -4.737 1.00 0.48 H new ATOM 0 HG1 THR B 36 9.568 -4.490 -4.795 1.00 0.56 H new ATOM 0 HG21 THR B 36 9.288 -3.384 -6.896 1.00 0.57 H new ATOM 0 HG22 THR B 36 9.865 -1.704 -7.011 1.00 0.57 H new ATOM 0 HG23 THR B 36 11.034 -3.042 -6.904 1.00 0.57 H new ATOM 1990 N VAL B 37 11.137 0.775 -5.088 1.00 0.41 N ATOM 1991 CA VAL B 37 10.678 2.150 -5.016 1.00 0.40 C ATOM 1992 C VAL B 37 9.704 2.463 -6.147 1.00 0.43 C ATOM 1993 O VAL B 37 10.043 2.357 -7.326 1.00 0.51 O ATOM 1994 CB VAL B 37 11.862 3.139 -5.076 1.00 0.46 C ATOM 1995 CG1 VAL B 37 11.389 4.563 -4.841 1.00 0.52 C ATOM 1996 CG2 VAL B 37 12.933 2.756 -4.064 1.00 0.46 C ATOM 0 H VAL B 37 11.959 0.637 -5.676 1.00 0.41 H new ATOM 0 HA VAL B 37 10.166 2.267 -4.061 1.00 0.40 H new ATOM 0 HB VAL B 37 12.298 3.086 -6.074 1.00 0.46 H new ATOM 0 HG11 VAL B 37 12.241 5.242 -4.888 1.00 0.52 H new ATOM 0 HG12 VAL B 37 10.664 4.837 -5.608 1.00 0.52 H new ATOM 0 HG13 VAL B 37 10.922 4.634 -3.859 1.00 0.52 H new ATOM 0 HG21 VAL B 37 13.759 3.465 -4.122 1.00 0.46 H new ATOM 0 HG22 VAL B 37 12.508 2.775 -3.060 1.00 0.46 H new ATOM 0 HG23 VAL B 37 13.300 1.753 -4.284 1.00 0.46 H new ATOM 2006 N LYS B 38 8.488 2.824 -5.773 1.00 0.41 N ATOM 2007 CA LYS B 38 7.459 3.169 -6.739 1.00 0.46 C ATOM 2008 C LYS B 38 7.544 4.652 -7.059 1.00 0.50 C ATOM 2009 O LYS B 38 7.513 5.486 -6.159 1.00 0.63 O ATOM 2010 CB LYS B 38 6.069 2.842 -6.185 1.00 0.51 C ATOM 2011 CG LYS B 38 5.953 1.444 -5.592 1.00 0.65 C ATOM 2012 CD LYS B 38 4.705 1.299 -4.732 1.00 0.80 C ATOM 2013 CE LYS B 38 3.648 0.454 -5.422 1.00 1.18 C ATOM 2014 NZ LYS B 38 2.431 0.291 -4.586 1.00 1.38 N ATOM 0 H LYS B 38 8.188 2.886 -4.800 1.00 0.41 H new ATOM 0 HA LYS B 38 7.618 2.586 -7.646 1.00 0.46 H new ATOM 0 HB2 LYS B 38 5.813 3.573 -5.418 1.00 0.51 H new ATOM 0 HB3 LYS B 38 5.336 2.949 -6.985 1.00 0.51 H new ATOM 0 HG2 LYS B 38 5.928 0.709 -6.396 1.00 0.65 H new ATOM 0 HG3 LYS B 38 6.836 1.229 -4.991 1.00 0.65 H new ATOM 0 HD2 LYS B 38 4.970 0.844 -3.778 1.00 0.80 H new ATOM 0 HD3 LYS B 38 4.297 2.285 -4.512 1.00 0.80 H new ATOM 0 HE2 LYS B 38 3.376 0.917 -6.371 1.00 1.18 H new ATOM 0 HE3 LYS B 38 4.063 -0.527 -5.653 1.00 1.18 H new ATOM 0 HZ1 LYS B 38 1.584 0.405 -5.179 1.00 1.38 H new ATOM 0 HZ2 LYS B 38 2.428 -0.657 -4.158 1.00 1.38 H new ATOM 0 HZ3 LYS B 38 2.427 1.010 -3.835 1.00 1.38 H new ATOM 2028 N THR B 39 7.656 4.983 -8.332 1.00 0.55 N ATOM 2029 CA THR B 39 7.751 6.373 -8.745 1.00 0.60 C ATOM 2030 C THR B 39 6.725 6.675 -9.833 1.00 0.65 C ATOM 2031 O THR B 39 6.185 5.750 -10.449 1.00 0.67 O ATOM 2032 CB THR B 39 9.166 6.711 -9.269 1.00 0.64 C ATOM 2033 OG1 THR B 39 9.609 5.705 -10.188 1.00 0.78 O ATOM 2034 CG2 THR B 39 10.158 6.833 -8.123 1.00 0.68 C ATOM 0 H THR B 39 7.684 4.310 -9.098 1.00 0.55 H new ATOM 0 HA THR B 39 7.549 6.989 -7.869 1.00 0.60 H new ATOM 0 HB THR B 39 9.113 7.670 -9.784 1.00 0.64 H new ATOM 0 HG1 THR B 39 8.883 5.067 -10.350 1.00 0.78 H new ATOM 0 HG21 THR B 39 11.145 7.071 -8.520 1.00 0.68 H new ATOM 0 HG22 THR B 39 9.838 7.626 -7.447 1.00 0.68 H new ATOM 0 HG23 THR B 39 10.204 5.889 -7.579 1.00 0.68 H new ATOM 2042 N PRO B 40 6.432 7.965 -10.086 1.00 0.71 N ATOM 2043 CA PRO B 40 5.483 8.375 -11.127 1.00 0.78 C ATOM 2044 C PRO B 40 6.098 8.222 -12.516 1.00 0.81 C ATOM 2045 O PRO B 40 6.104 9.154 -13.322 1.00 0.87 O ATOM 2046 CB PRO B 40 5.214 9.861 -10.825 1.00 0.83 C ATOM 2047 CG PRO B 40 5.903 10.158 -9.534 1.00 0.85 C ATOM 2048 CD PRO B 40 6.986 9.129 -9.382 1.00 0.73 C ATOM 0 HA PRO B 40 4.577 7.769 -11.123 1.00 0.78 H new ATOM 0 HB2 PRO B 40 5.596 10.496 -11.625 1.00 0.83 H new ATOM 0 HB3 PRO B 40 4.144 10.055 -10.748 1.00 0.83 H new ATOM 0 HG2 PRO B 40 6.322 11.164 -9.541 1.00 0.85 H new ATOM 0 HG3 PRO B 40 5.202 10.110 -8.700 1.00 0.85 H new ATOM 0 HD2 PRO B 40 7.924 9.461 -9.826 1.00 0.73 H new ATOM 0 HD3 PRO B 40 7.190 8.908 -8.334 1.00 0.73 H new ATOM 2056 N LYS B 41 6.620 7.032 -12.776 1.00 0.82 N ATOM 2057 CA LYS B 41 7.269 6.723 -14.042 1.00 0.87 C ATOM 2058 C LYS B 41 7.514 5.223 -14.151 1.00 0.84 C ATOM 2059 O LYS B 41 7.097 4.587 -15.121 1.00 0.92 O ATOM 2060 CB LYS B 41 8.596 7.482 -14.151 1.00 0.93 C ATOM 2061 CG LYS B 41 9.236 7.428 -15.528 1.00 1.13 C ATOM 2062 CD LYS B 41 10.058 8.678 -15.804 1.00 1.21 C ATOM 2063 CE LYS B 41 11.230 8.809 -14.842 1.00 1.44 C ATOM 2064 NZ LYS B 41 11.637 10.227 -14.652 1.00 1.37 N ATOM 0 H LYS B 41 6.606 6.254 -12.116 1.00 0.82 H new ATOM 0 HA LYS B 41 6.617 7.034 -14.858 1.00 0.87 H new ATOM 0 HB2 LYS B 41 8.428 8.525 -13.882 1.00 0.93 H new ATOM 0 HB3 LYS B 41 9.296 7.074 -13.422 1.00 0.93 H new ATOM 0 HG2 LYS B 41 9.874 6.547 -15.601 1.00 1.13 H new ATOM 0 HG3 LYS B 41 8.461 7.324 -16.288 1.00 1.13 H new ATOM 0 HD2 LYS B 41 10.430 8.649 -16.828 1.00 1.21 H new ATOM 0 HD3 LYS B 41 9.420 9.558 -15.721 1.00 1.21 H new ATOM 0 HE2 LYS B 41 10.959 8.377 -13.879 1.00 1.44 H new ATOM 0 HE3 LYS B 41 12.076 8.236 -15.221 1.00 1.44 H new ATOM 0 HZ1 LYS B 41 12.438 10.273 -13.990 1.00 1.37 H new ATOM 0 HZ2 LYS B 41 11.920 10.632 -15.567 1.00 1.37 H new ATOM 0 HZ3 LYS B 41 10.838 10.769 -14.266 1.00 1.37 H new ATOM 2078 N GLU B 42 8.173 4.663 -13.139 1.00 0.77 N ATOM 2079 CA GLU B 42 8.475 3.237 -13.107 1.00 0.75 C ATOM 2080 C GLU B 42 8.523 2.723 -11.669 1.00 0.70 C ATOM 2081 O GLU B 42 8.182 3.443 -10.728 1.00 0.73 O ATOM 2082 CB GLU B 42 9.814 2.955 -13.799 1.00 0.83 C ATOM 2083 CG GLU B 42 9.676 2.507 -15.245 1.00 1.03 C ATOM 2084 CD GLU B 42 10.439 3.392 -16.204 1.00 1.08 C ATOM 2085 OE1 GLU B 42 11.173 4.283 -15.741 1.00 1.41 O ATOM 2086 OE2 GLU B 42 10.304 3.196 -17.434 1.00 1.28 O ATOM 0 H GLU B 42 8.509 5.180 -12.327 1.00 0.77 H new ATOM 0 HA GLU B 42 7.680 2.715 -13.640 1.00 0.75 H new ATOM 0 HB2 GLU B 42 10.427 3.856 -13.765 1.00 0.83 H new ATOM 0 HB3 GLU B 42 10.346 2.186 -13.240 1.00 0.83 H new ATOM 0 HG2 GLU B 42 10.034 1.482 -15.339 1.00 1.03 H new ATOM 0 HG3 GLU B 42 8.622 2.503 -15.521 1.00 1.03 H new ATOM 2093 N LYS B 43 8.942 1.478 -11.514 1.00 0.68 N ATOM 2094 CA LYS B 43 9.054 0.849 -10.206 1.00 0.64 C ATOM 2095 C LYS B 43 10.360 0.069 -10.142 1.00 0.63 C ATOM 2096 O LYS B 43 10.392 -1.135 -10.413 1.00 0.74 O ATOM 2097 CB LYS B 43 7.861 -0.081 -9.957 1.00 0.67 C ATOM 2098 CG LYS B 43 7.730 -0.541 -8.514 1.00 0.67 C ATOM 2099 CD LYS B 43 6.597 -1.543 -8.343 1.00 0.74 C ATOM 2100 CE LYS B 43 6.905 -2.866 -9.033 1.00 0.83 C ATOM 2101 NZ LYS B 43 5.839 -3.876 -8.801 1.00 0.98 N ATOM 0 H LYS B 43 9.214 0.874 -12.290 1.00 0.68 H new ATOM 0 HA LYS B 43 9.051 1.616 -9.431 1.00 0.64 H new ATOM 0 HB2 LYS B 43 6.945 0.433 -10.249 1.00 0.67 H new ATOM 0 HB3 LYS B 43 7.954 -0.956 -10.600 1.00 0.67 H new ATOM 0 HG2 LYS B 43 8.667 -0.993 -8.190 1.00 0.67 H new ATOM 0 HG3 LYS B 43 7.553 0.322 -7.872 1.00 0.67 H new ATOM 0 HD2 LYS B 43 6.423 -1.718 -7.281 1.00 0.74 H new ATOM 0 HD3 LYS B 43 5.677 -1.125 -8.752 1.00 0.74 H new ATOM 0 HE2 LYS B 43 7.019 -2.698 -10.104 1.00 0.83 H new ATOM 0 HE3 LYS B 43 7.856 -3.253 -8.668 1.00 0.83 H new ATOM 0 HZ1 LYS B 43 6.088 -4.761 -9.287 1.00 0.98 H new ATOM 0 HZ2 LYS B 43 5.747 -4.056 -7.781 1.00 0.98 H new ATOM 0 HZ3 LYS B 43 4.936 -3.519 -9.172 1.00 0.98 H new ATOM 2115 N GLU B 44 11.439 0.764 -9.814 1.00 0.59 N ATOM 2116 CA GLU B 44 12.756 0.146 -9.748 1.00 0.60 C ATOM 2117 C GLU B 44 13.043 -0.398 -8.355 1.00 0.56 C ATOM 2118 O GLU B 44 12.630 0.183 -7.348 1.00 0.60 O ATOM 2119 CB GLU B 44 13.836 1.159 -10.140 1.00 0.64 C ATOM 2120 CG GLU B 44 14.665 0.732 -11.344 1.00 0.81 C ATOM 2121 CD GLU B 44 13.865 0.718 -12.630 1.00 1.02 C ATOM 2122 OE1 GLU B 44 13.154 -0.277 -12.883 1.00 1.24 O ATOM 2123 OE2 GLU B 44 13.954 1.697 -13.404 1.00 1.21 O ATOM 0 H GLU B 44 11.429 1.759 -9.589 1.00 0.59 H new ATOM 0 HA GLU B 44 12.768 -0.688 -10.450 1.00 0.60 H new ATOM 0 HB2 GLU B 44 13.362 2.117 -10.357 1.00 0.64 H new ATOM 0 HB3 GLU B 44 14.500 1.317 -9.290 1.00 0.64 H new ATOM 0 HG2 GLU B 44 15.512 1.409 -11.455 1.00 0.81 H new ATOM 0 HG3 GLU B 44 15.073 -0.262 -11.164 1.00 0.81 H new ATOM 2130 N GLU B 45 13.752 -1.514 -8.303 1.00 0.56 N ATOM 2131 CA GLU B 45 14.109 -2.137 -7.042 1.00 0.53 C ATOM 2132 C GLU B 45 15.599 -1.989 -6.792 1.00 0.55 C ATOM 2133 O GLU B 45 16.410 -2.234 -7.683 1.00 0.64 O ATOM 2134 CB GLU B 45 13.719 -3.613 -7.042 1.00 0.57 C ATOM 2135 CG GLU B 45 13.663 -4.218 -5.654 1.00 0.58 C ATOM 2136 CD GLU B 45 13.412 -5.705 -5.689 1.00 0.76 C ATOM 2137 OE1 GLU B 45 14.366 -6.457 -5.984 1.00 0.99 O ATOM 2138 OE2 GLU B 45 12.268 -6.125 -5.417 1.00 0.94 O ATOM 0 H GLU B 45 14.093 -2.009 -9.127 1.00 0.56 H new ATOM 0 HA GLU B 45 13.564 -1.637 -6.242 1.00 0.53 H new ATOM 0 HB2 GLU B 45 12.745 -3.724 -7.519 1.00 0.57 H new ATOM 0 HB3 GLU B 45 14.435 -4.171 -7.645 1.00 0.57 H new ATOM 0 HG2 GLU B 45 14.602 -4.022 -5.136 1.00 0.58 H new ATOM 0 HG3 GLU B 45 12.875 -3.732 -5.079 1.00 0.58 H new ATOM 2145 N PHE B 46 15.950 -1.577 -5.587 1.00 0.51 N ATOM 2146 CA PHE B 46 17.340 -1.390 -5.225 1.00 0.54 C ATOM 2147 C PHE B 46 17.812 -2.493 -4.284 1.00 0.54 C ATOM 2148 O PHE B 46 17.000 -3.238 -3.725 1.00 0.54 O ATOM 2149 CB PHE B 46 17.544 -0.024 -4.571 1.00 0.53 C ATOM 2150 CG PHE B 46 18.396 0.903 -5.393 1.00 0.58 C ATOM 2151 CD1 PHE B 46 18.048 1.208 -6.699 1.00 0.72 C ATOM 2152 CD2 PHE B 46 19.546 1.465 -4.861 1.00 0.78 C ATOM 2153 CE1 PHE B 46 18.829 2.055 -7.457 1.00 0.85 C ATOM 2154 CE2 PHE B 46 20.332 2.315 -5.617 1.00 0.90 C ATOM 2155 CZ PHE B 46 19.971 2.609 -6.916 1.00 0.87 C ATOM 0 H PHE B 46 15.287 -1.365 -4.841 1.00 0.51 H new ATOM 0 HA PHE B 46 17.933 -1.438 -6.138 1.00 0.54 H new ATOM 0 HB2 PHE B 46 16.572 0.440 -4.402 1.00 0.53 H new ATOM 0 HB3 PHE B 46 18.006 -0.161 -3.593 1.00 0.53 H new ATOM 0 HD1 PHE B 46 17.155 0.778 -7.128 1.00 0.72 H new ATOM 0 HD2 PHE B 46 19.831 1.236 -3.845 1.00 0.78 H new ATOM 0 HE1 PHE B 46 18.547 2.285 -8.474 1.00 0.85 H new ATOM 0 HE2 PHE B 46 21.226 2.748 -5.192 1.00 0.90 H new ATOM 0 HZ PHE B 46 20.582 3.273 -7.509 1.00 0.87 H new ATOM 2165 N ALA B 47 19.121 -2.594 -4.125 1.00 0.57 N ATOM 2166 CA ALA B 47 19.718 -3.592 -3.259 1.00 0.60 C ATOM 2167 C ALA B 47 20.728 -2.937 -2.328 1.00 0.60 C ATOM 2168 O ALA B 47 21.852 -2.634 -2.728 1.00 0.66 O ATOM 2169 CB ALA B 47 20.380 -4.675 -4.095 1.00 0.69 C ATOM 0 H ALA B 47 19.796 -1.988 -4.591 1.00 0.57 H new ATOM 0 HA ALA B 47 18.939 -4.052 -2.652 1.00 0.60 H new ATOM 0 HB1 ALA B 47 20.826 -5.421 -3.437 1.00 0.69 H new ATOM 0 HB2 ALA B 47 19.633 -5.152 -4.730 1.00 0.69 H new ATOM 0 HB3 ALA B 47 21.156 -4.230 -4.718 1.00 0.69 H new ATOM 2175 N VAL B 48 20.322 -2.701 -1.094 1.00 0.57 N ATOM 2176 CA VAL B 48 21.196 -2.065 -0.121 1.00 0.59 C ATOM 2177 C VAL B 48 21.404 -2.965 1.090 1.00 0.58 C ATOM 2178 O VAL B 48 20.542 -3.781 1.422 1.00 0.57 O ATOM 2179 CB VAL B 48 20.638 -0.699 0.344 1.00 0.59 C ATOM 2180 CG1 VAL B 48 20.664 0.310 -0.795 1.00 0.66 C ATOM 2181 CG2 VAL B 48 19.228 -0.845 0.897 1.00 0.56 C ATOM 0 H VAL B 48 19.395 -2.939 -0.741 1.00 0.57 H new ATOM 0 HA VAL B 48 22.153 -1.897 -0.616 1.00 0.59 H new ATOM 0 HB VAL B 48 21.279 -0.330 1.145 1.00 0.59 H new ATOM 0 HG11 VAL B 48 20.267 1.263 -0.446 1.00 0.66 H new ATOM 0 HG12 VAL B 48 21.690 0.447 -1.136 1.00 0.66 H new ATOM 0 HG13 VAL B 48 20.053 -0.057 -1.620 1.00 0.66 H new ATOM 0 HG21 VAL B 48 18.860 0.130 1.217 1.00 0.56 H new ATOM 0 HG22 VAL B 48 18.573 -1.244 0.123 1.00 0.56 H new ATOM 0 HG23 VAL B 48 19.240 -1.525 1.749 1.00 0.56 H new ATOM 2191 N PRO B 49 22.568 -2.852 1.744 1.00 0.62 N ATOM 2192 CA PRO B 49 22.878 -3.654 2.928 1.00 0.63 C ATOM 2193 C PRO B 49 22.011 -3.279 4.129 1.00 0.60 C ATOM 2194 O PRO B 49 21.577 -2.132 4.276 1.00 0.61 O ATOM 2195 CB PRO B 49 24.350 -3.344 3.205 1.00 0.69 C ATOM 2196 CG PRO B 49 24.618 -2.042 2.537 1.00 0.79 C ATOM 2197 CD PRO B 49 23.679 -1.959 1.369 1.00 0.67 C ATOM 0 HA PRO B 49 22.683 -4.713 2.760 1.00 0.63 H new ATOM 0 HB2 PRO B 49 24.543 -3.282 4.276 1.00 0.69 H new ATOM 0 HB3 PRO B 49 24.997 -4.128 2.810 1.00 0.69 H new ATOM 0 HG2 PRO B 49 24.455 -1.213 3.225 1.00 0.79 H new ATOM 0 HG3 PRO B 49 25.655 -1.982 2.206 1.00 0.79 H new ATOM 0 HD2 PRO B 49 23.334 -0.938 1.206 1.00 0.67 H new ATOM 0 HD3 PRO B 49 24.159 -2.284 0.446 1.00 0.67 H new ATOM 2205 N GLU B 50 21.761 -4.267 4.972 1.00 0.61 N ATOM 2206 CA GLU B 50 20.952 -4.103 6.174 1.00 0.61 C ATOM 2207 C GLU B 50 21.616 -3.140 7.158 1.00 0.67 C ATOM 2208 O GLU B 50 20.946 -2.469 7.944 1.00 1.01 O ATOM 2209 CB GLU B 50 20.756 -5.472 6.821 1.00 0.68 C ATOM 2210 CG GLU B 50 19.586 -5.555 7.780 1.00 0.86 C ATOM 2211 CD GLU B 50 19.370 -6.968 8.274 1.00 0.93 C ATOM 2212 OE1 GLU B 50 20.160 -7.432 9.122 1.00 1.12 O ATOM 2213 OE2 GLU B 50 18.417 -7.630 7.804 1.00 1.08 O ATOM 0 H GLU B 50 22.116 -5.215 4.843 1.00 0.61 H new ATOM 0 HA GLU B 50 19.986 -3.678 5.901 1.00 0.61 H new ATOM 0 HB2 GLU B 50 20.618 -6.214 6.035 1.00 0.68 H new ATOM 0 HB3 GLU B 50 21.667 -5.740 7.356 1.00 0.68 H new ATOM 0 HG2 GLU B 50 19.763 -4.895 8.629 1.00 0.86 H new ATOM 0 HG3 GLU B 50 18.682 -5.200 7.284 1.00 0.86 H new ATOM 2220 N ASN B 51 22.934 -3.064 7.105 1.00 0.67 N ATOM 2221 CA ASN B 51 23.689 -2.192 7.992 1.00 0.69 C ATOM 2222 C ASN B 51 24.008 -0.864 7.309 1.00 0.71 C ATOM 2223 O ASN B 51 25.167 -0.542 7.043 1.00 0.96 O ATOM 2224 CB ASN B 51 24.978 -2.881 8.468 1.00 0.76 C ATOM 2225 CG ASN B 51 25.866 -3.361 7.331 1.00 0.86 C ATOM 2226 OD1 ASN B 51 25.388 -3.722 6.254 1.00 0.87 O ATOM 2227 ND2 ASN B 51 27.166 -3.367 7.564 1.00 1.20 N ATOM 0 H ASN B 51 23.508 -3.599 6.453 1.00 0.67 H new ATOM 0 HA ASN B 51 23.071 -1.984 8.866 1.00 0.69 H new ATOM 0 HB2 ASN B 51 25.542 -2.187 9.091 1.00 0.76 H new ATOM 0 HB3 ASN B 51 24.715 -3.732 9.097 1.00 0.76 H new ATOM 0 HD21 ASN B 51 27.813 -3.678 6.839 1.00 1.20 H new ATOM 0 HD22 ASN B 51 27.523 -3.061 8.469 1.00 1.20 H new ATOM 2234 N SER B 52 22.973 -0.094 7.019 1.00 0.65 N ATOM 2235 CA SER B 52 23.144 1.200 6.376 1.00 0.67 C ATOM 2236 C SER B 52 22.033 2.156 6.787 1.00 0.63 C ATOM 2237 O SER B 52 20.939 1.727 7.158 1.00 0.68 O ATOM 2238 CB SER B 52 23.175 1.046 4.855 1.00 0.71 C ATOM 2239 OG SER B 52 24.380 0.432 4.433 1.00 0.86 O ATOM 0 H SER B 52 22.004 -0.342 7.218 1.00 0.65 H new ATOM 0 HA SER B 52 24.097 1.617 6.702 1.00 0.67 H new ATOM 0 HB2 SER B 52 22.324 0.448 4.529 1.00 0.71 H new ATOM 0 HB3 SER B 52 23.077 2.024 4.384 1.00 0.71 H new ATOM 0 HG SER B 52 24.880 0.121 5.216 1.00 0.86 H new ATOM 2245 N SER B 53 22.324 3.448 6.729 1.00 0.65 N ATOM 2246 CA SER B 53 21.347 4.463 7.089 1.00 0.64 C ATOM 2247 C SER B 53 20.594 4.947 5.850 1.00 0.57 C ATOM 2248 O SER B 53 21.102 4.855 4.728 1.00 0.58 O ATOM 2249 CB SER B 53 22.040 5.633 7.789 1.00 0.75 C ATOM 2250 OG SER B 53 22.883 5.170 8.830 1.00 0.89 O ATOM 0 H SER B 53 23.229 3.817 6.436 1.00 0.65 H new ATOM 0 HA SER B 53 20.623 4.024 7.776 1.00 0.64 H new ATOM 0 HB2 SER B 53 22.626 6.200 7.065 1.00 0.75 H new ATOM 0 HB3 SER B 53 21.292 6.313 8.196 1.00 0.75 H new ATOM 0 HG SER B 53 23.318 5.934 9.263 1.00 0.89 H new ATOM 2256 N VAL B 54 19.394 5.474 6.063 1.00 0.54 N ATOM 2257 CA VAL B 54 18.555 5.963 4.972 1.00 0.49 C ATOM 2258 C VAL B 54 19.234 7.113 4.226 1.00 0.48 C ATOM 2259 O VAL B 54 19.042 7.282 3.022 1.00 0.47 O ATOM 2260 CB VAL B 54 17.178 6.435 5.492 1.00 0.52 C ATOM 2261 CG1 VAL B 54 16.173 6.548 4.351 1.00 0.57 C ATOM 2262 CG2 VAL B 54 16.660 5.502 6.577 1.00 0.58 C ATOM 0 H VAL B 54 18.976 5.575 6.988 1.00 0.54 H new ATOM 0 HA VAL B 54 18.408 5.130 4.285 1.00 0.49 H new ATOM 0 HB VAL B 54 17.306 7.426 5.928 1.00 0.52 H new ATOM 0 HG11 VAL B 54 15.213 6.882 4.744 1.00 0.57 H new ATOM 0 HG12 VAL B 54 16.535 7.268 3.617 1.00 0.57 H new ATOM 0 HG13 VAL B 54 16.052 5.575 3.875 1.00 0.57 H new ATOM 0 HG21 VAL B 54 15.690 5.855 6.927 1.00 0.58 H new ATOM 0 HG22 VAL B 54 16.556 4.495 6.172 1.00 0.58 H new ATOM 0 HG23 VAL B 54 17.363 5.487 7.410 1.00 0.58 H new ATOM 2272 N GLN B 55 20.040 7.889 4.947 1.00 0.53 N ATOM 2273 CA GLN B 55 20.759 9.019 4.360 1.00 0.58 C ATOM 2274 C GLN B 55 21.627 8.568 3.186 1.00 0.58 C ATOM 2275 O GLN B 55 21.752 9.271 2.182 1.00 0.64 O ATOM 2276 CB GLN B 55 21.633 9.696 5.415 1.00 0.67 C ATOM 2277 CG GLN B 55 20.878 10.660 6.316 1.00 0.88 C ATOM 2278 CD GLN B 55 21.732 11.181 7.455 1.00 0.92 C ATOM 2279 OE1 GLN B 55 22.959 11.212 7.363 1.00 1.13 O ATOM 2280 NE2 GLN B 55 21.089 11.601 8.531 1.00 1.23 N ATOM 0 H GLN B 55 20.213 7.756 5.943 1.00 0.53 H new ATOM 0 HA GLN B 55 20.020 9.731 3.991 1.00 0.58 H new ATOM 0 HB2 GLN B 55 22.101 8.929 6.032 1.00 0.67 H new ATOM 0 HB3 GLN B 55 22.437 10.236 4.914 1.00 0.67 H new ATOM 0 HG2 GLN B 55 20.518 11.500 5.722 1.00 0.88 H new ATOM 0 HG3 GLN B 55 20.000 10.159 6.724 1.00 0.88 H new ATOM 0 HE21 GLN B 55 20.071 11.558 8.566 1.00 1.23 H new ATOM 0 HE22 GLN B 55 21.611 11.968 9.326 1.00 1.23 H new ATOM 2289 N GLN B 56 22.208 7.380 3.321 1.00 0.56 N ATOM 2290 CA GLN B 56 23.057 6.815 2.284 1.00 0.60 C ATOM 2291 C GLN B 56 22.220 6.451 1.064 1.00 0.55 C ATOM 2292 O GLN B 56 22.612 6.708 -0.075 1.00 0.62 O ATOM 2293 CB GLN B 56 23.776 5.569 2.813 1.00 0.65 C ATOM 2294 CG GLN B 56 24.843 5.029 1.872 1.00 0.80 C ATOM 2295 CD GLN B 56 25.983 6.004 1.668 1.00 1.02 C ATOM 2296 OE1 GLN B 56 26.943 6.019 2.437 1.00 1.35 O ATOM 2297 NE2 GLN B 56 25.897 6.810 0.622 1.00 1.27 N ATOM 0 H GLN B 56 22.104 6.788 4.145 1.00 0.56 H new ATOM 0 HA GLN B 56 23.801 7.558 1.996 1.00 0.60 H new ATOM 0 HB2 GLN B 56 24.237 5.807 3.772 1.00 0.65 H new ATOM 0 HB3 GLN B 56 23.039 4.787 2.999 1.00 0.65 H new ATOM 0 HG2 GLN B 56 25.236 4.094 2.272 1.00 0.80 H new ATOM 0 HG3 GLN B 56 24.390 4.798 0.908 1.00 0.80 H new ATOM 0 HE21 GLN B 56 25.083 6.765 0.009 1.00 1.27 H new ATOM 0 HE22 GLN B 56 26.645 7.476 0.429 1.00 1.27 H new ATOM 2306 N PHE B 57 21.059 5.863 1.323 1.00 0.50 N ATOM 2307 CA PHE B 57 20.150 5.456 0.265 1.00 0.49 C ATOM 2308 C PHE B 57 19.595 6.678 -0.461 1.00 0.47 C ATOM 2309 O PHE B 57 19.517 6.695 -1.686 1.00 0.49 O ATOM 2310 CB PHE B 57 19.011 4.611 0.851 1.00 0.48 C ATOM 2311 CG PHE B 57 18.024 4.109 -0.166 1.00 0.50 C ATOM 2312 CD1 PHE B 57 18.450 3.385 -1.267 1.00 0.56 C ATOM 2313 CD2 PHE B 57 16.671 4.358 -0.015 1.00 0.53 C ATOM 2314 CE1 PHE B 57 17.545 2.918 -2.199 1.00 0.64 C ATOM 2315 CE2 PHE B 57 15.761 3.894 -0.945 1.00 0.59 C ATOM 2316 CZ PHE B 57 16.198 3.172 -2.038 1.00 0.64 C ATOM 0 H PHE B 57 20.725 5.657 2.265 1.00 0.50 H new ATOM 0 HA PHE B 57 20.698 4.851 -0.458 1.00 0.49 H new ATOM 0 HB2 PHE B 57 19.441 3.757 1.375 1.00 0.48 H new ATOM 0 HB3 PHE B 57 18.479 5.205 1.594 1.00 0.48 H new ATOM 0 HD1 PHE B 57 19.503 3.183 -1.398 1.00 0.56 H new ATOM 0 HD2 PHE B 57 16.323 4.921 0.839 1.00 0.53 H new ATOM 0 HE1 PHE B 57 17.891 2.355 -3.053 1.00 0.64 H new ATOM 0 HE2 PHE B 57 14.708 4.096 -0.817 1.00 0.59 H new ATOM 0 HZ PHE B 57 15.488 2.807 -2.765 1.00 0.64 H new ATOM 2326 N LYS B 58 19.231 7.703 0.307 1.00 0.47 N ATOM 2327 CA LYS B 58 18.688 8.935 -0.253 1.00 0.48 C ATOM 2328 C LYS B 58 19.663 9.563 -1.245 1.00 0.49 C ATOM 2329 O LYS B 58 19.278 9.929 -2.356 1.00 0.53 O ATOM 2330 CB LYS B 58 18.365 9.935 0.858 1.00 0.53 C ATOM 2331 CG LYS B 58 17.083 9.621 1.609 1.00 0.62 C ATOM 2332 CD LYS B 58 16.869 10.586 2.765 1.00 0.70 C ATOM 2333 CE LYS B 58 16.513 11.981 2.278 1.00 0.77 C ATOM 2334 NZ LYS B 58 17.145 13.038 3.113 1.00 1.01 N ATOM 0 H LYS B 58 19.304 7.702 1.324 1.00 0.47 H new ATOM 0 HA LYS B 58 17.769 8.682 -0.782 1.00 0.48 H new ATOM 0 HB2 LYS B 58 19.194 9.958 1.566 1.00 0.53 H new ATOM 0 HB3 LYS B 58 18.287 10.932 0.425 1.00 0.53 H new ATOM 0 HG2 LYS B 58 16.236 9.676 0.925 1.00 0.62 H new ATOM 0 HG3 LYS B 58 17.122 8.600 1.988 1.00 0.62 H new ATOM 0 HD2 LYS B 58 16.073 10.212 3.408 1.00 0.70 H new ATOM 0 HD3 LYS B 58 17.773 10.633 3.372 1.00 0.70 H new ATOM 0 HE2 LYS B 58 16.833 12.097 1.242 1.00 0.77 H new ATOM 0 HE3 LYS B 58 15.430 12.105 2.293 1.00 0.77 H new ATOM 0 HZ1 LYS B 58 16.798 13.971 2.813 1.00 1.01 H new ATOM 0 HZ2 LYS B 58 16.902 12.883 4.112 1.00 1.01 H new ATOM 0 HZ3 LYS B 58 18.178 13.000 2.998 1.00 1.01 H new ATOM 2348 N GLU B 59 20.925 9.665 -0.846 1.00 0.51 N ATOM 2349 CA GLU B 59 21.953 10.249 -1.702 1.00 0.56 C ATOM 2350 C GLU B 59 22.122 9.429 -2.976 1.00 0.57 C ATOM 2351 O GLU B 59 22.359 9.979 -4.054 1.00 0.65 O ATOM 2352 CB GLU B 59 23.290 10.347 -0.962 1.00 0.63 C ATOM 2353 CG GLU B 59 23.792 11.773 -0.808 1.00 1.06 C ATOM 2354 CD GLU B 59 25.145 11.843 -0.134 1.00 0.97 C ATOM 2355 OE1 GLU B 59 25.244 11.473 1.059 1.00 1.14 O ATOM 2356 OE2 GLU B 59 26.120 12.267 -0.791 1.00 1.30 O ATOM 0 H GLU B 59 21.262 9.351 0.064 1.00 0.51 H new ATOM 0 HA GLU B 59 21.631 11.255 -1.971 1.00 0.56 H new ATOM 0 HB2 GLU B 59 23.184 9.899 0.026 1.00 0.63 H new ATOM 0 HB3 GLU B 59 24.037 9.763 -1.499 1.00 0.63 H new ATOM 0 HG2 GLU B 59 23.855 12.240 -1.791 1.00 1.06 H new ATOM 0 HG3 GLU B 59 23.071 12.348 -0.227 1.00 1.06 H new ATOM 2363 N ALA B 60 21.987 8.115 -2.845 1.00 0.55 N ATOM 2364 CA ALA B 60 22.112 7.217 -3.982 1.00 0.57 C ATOM 2365 C ALA B 60 20.991 7.457 -4.983 1.00 0.56 C ATOM 2366 O ALA B 60 21.212 7.417 -6.192 1.00 0.59 O ATOM 2367 CB ALA B 60 22.108 5.768 -3.515 1.00 0.59 C ATOM 0 H ALA B 60 21.790 7.648 -1.960 1.00 0.55 H new ATOM 0 HA ALA B 60 23.061 7.420 -4.478 1.00 0.57 H new ATOM 0 HB1 ALA B 60 22.202 5.108 -4.377 1.00 0.59 H new ATOM 0 HB2 ALA B 60 22.945 5.602 -2.837 1.00 0.59 H new ATOM 0 HB3 ALA B 60 21.173 5.556 -2.996 1.00 0.59 H new ATOM 2373 N ILE B 61 19.791 7.720 -4.477 1.00 0.52 N ATOM 2374 CA ILE B 61 18.636 7.969 -5.333 1.00 0.52 C ATOM 2375 C ILE B 61 18.848 9.217 -6.194 1.00 0.55 C ATOM 2376 O ILE B 61 18.594 9.200 -7.396 1.00 0.59 O ATOM 2377 CB ILE B 61 17.337 8.132 -4.511 1.00 0.50 C ATOM 2378 CG1 ILE B 61 17.091 6.896 -3.645 1.00 0.51 C ATOM 2379 CG2 ILE B 61 16.146 8.375 -5.430 1.00 0.52 C ATOM 2380 CD1 ILE B 61 15.937 7.058 -2.676 1.00 0.56 C ATOM 0 H ILE B 61 19.592 7.766 -3.478 1.00 0.52 H new ATOM 0 HA ILE B 61 18.532 7.097 -5.979 1.00 0.52 H new ATOM 0 HB ILE B 61 17.454 8.997 -3.859 1.00 0.50 H new ATOM 0 HG12 ILE B 61 16.894 6.042 -4.293 1.00 0.51 H new ATOM 0 HG13 ILE B 61 17.997 6.669 -3.084 1.00 0.51 H new ATOM 0 HG21 ILE B 61 15.242 8.487 -4.832 1.00 0.52 H new ATOM 0 HG22 ILE B 61 16.313 9.283 -6.009 1.00 0.52 H new ATOM 0 HG23 ILE B 61 16.030 7.529 -6.107 1.00 0.52 H new ATOM 0 HD11 ILE B 61 15.819 6.144 -2.094 1.00 0.56 H new ATOM 0 HD12 ILE B 61 16.140 7.892 -2.004 1.00 0.56 H new ATOM 0 HD13 ILE B 61 15.020 7.255 -3.232 1.00 0.56 H new ATOM 2392 N SER B 62 19.341 10.288 -5.588 1.00 0.55 N ATOM 2393 CA SER B 62 19.571 11.531 -6.315 1.00 0.59 C ATOM 2394 C SER B 62 20.698 11.388 -7.337 1.00 0.63 C ATOM 2395 O SER B 62 20.768 12.144 -8.307 1.00 0.70 O ATOM 2396 CB SER B 62 19.898 12.653 -5.334 1.00 0.61 C ATOM 2397 OG SER B 62 20.227 12.129 -4.055 1.00 0.70 O ATOM 0 H SER B 62 19.589 10.323 -4.599 1.00 0.55 H new ATOM 0 HA SER B 62 18.658 11.773 -6.859 1.00 0.59 H new ATOM 0 HB2 SER B 62 20.732 13.243 -5.715 1.00 0.61 H new ATOM 0 HB3 SER B 62 19.045 13.326 -5.247 1.00 0.61 H new ATOM 0 HG SER B 62 20.995 11.526 -4.136 1.00 0.70 H new ATOM 2403 N LYS B 63 21.573 10.412 -7.122 1.00 0.63 N ATOM 2404 CA LYS B 63 22.697 10.184 -8.018 1.00 0.69 C ATOM 2405 C LYS B 63 22.319 9.224 -9.144 1.00 0.71 C ATOM 2406 O LYS B 63 22.730 9.402 -10.291 1.00 0.82 O ATOM 2407 CB LYS B 63 23.892 9.629 -7.237 1.00 0.72 C ATOM 2408 CG LYS B 63 25.241 9.941 -7.869 1.00 0.84 C ATOM 2409 CD LYS B 63 25.585 11.417 -7.751 1.00 1.00 C ATOM 2410 CE LYS B 63 26.998 11.706 -8.235 1.00 1.04 C ATOM 2411 NZ LYS B 63 27.170 11.401 -9.681 1.00 1.28 N ATOM 0 H LYS B 63 21.524 9.766 -6.334 1.00 0.63 H new ATOM 0 HA LYS B 63 22.972 11.140 -8.463 1.00 0.69 H new ATOM 0 HB2 LYS B 63 23.873 10.035 -6.226 1.00 0.72 H new ATOM 0 HB3 LYS B 63 23.785 8.548 -7.148 1.00 0.72 H new ATOM 0 HG2 LYS B 63 26.016 9.346 -7.386 1.00 0.84 H new ATOM 0 HG3 LYS B 63 25.227 9.653 -8.920 1.00 0.84 H new ATOM 0 HD2 LYS B 63 24.874 12.004 -8.332 1.00 1.00 H new ATOM 0 HD3 LYS B 63 25.484 11.732 -6.712 1.00 1.00 H new ATOM 0 HE2 LYS B 63 27.234 12.755 -8.056 1.00 1.04 H new ATOM 0 HE3 LYS B 63 27.707 11.116 -7.654 1.00 1.04 H new ATOM 0 HZ1 LYS B 63 28.121 11.692 -9.986 1.00 1.28 H new ATOM 0 HZ2 LYS B 63 27.054 10.379 -9.837 1.00 1.28 H new ATOM 0 HZ3 LYS B 63 26.456 11.918 -10.232 1.00 1.28 H new ATOM 2425 N ARG B 64 21.528 8.209 -8.814 1.00 0.67 N ATOM 2426 CA ARG B 64 21.111 7.211 -9.795 1.00 0.70 C ATOM 2427 C ARG B 64 19.812 7.615 -10.491 1.00 0.70 C ATOM 2428 O ARG B 64 19.789 7.828 -11.707 1.00 0.75 O ATOM 2429 CB ARG B 64 20.938 5.846 -9.126 1.00 0.70 C ATOM 2430 CG ARG B 64 22.213 5.301 -8.502 1.00 0.72 C ATOM 2431 CD ARG B 64 23.175 4.764 -9.551 1.00 0.81 C ATOM 2432 NE ARG B 64 24.119 5.783 -10.001 1.00 0.84 N ATOM 2433 CZ ARG B 64 25.259 6.075 -9.373 1.00 0.95 C ATOM 2434 NH1 ARG B 64 25.608 5.417 -8.269 1.00 1.05 N ATOM 2435 NH2 ARG B 64 26.052 7.021 -9.851 1.00 1.07 N ATOM 0 H ARG B 64 21.162 8.055 -7.875 1.00 0.67 H new ATOM 0 HA ARG B 64 21.894 7.147 -10.550 1.00 0.70 H new ATOM 0 HB2 ARG B 64 20.172 5.925 -8.354 1.00 0.70 H new ATOM 0 HB3 ARG B 64 20.573 5.133 -9.866 1.00 0.70 H new ATOM 0 HG2 ARG B 64 22.703 6.089 -7.930 1.00 0.72 H new ATOM 0 HG3 ARG B 64 21.962 4.506 -7.799 1.00 0.72 H new ATOM 0 HD2 ARG B 64 23.725 3.917 -9.139 1.00 0.81 H new ATOM 0 HD3 ARG B 64 22.609 4.392 -10.405 1.00 0.81 H new ATOM 0 HE ARG B 64 23.893 6.304 -10.848 1.00 0.84 H new ATOM 0 HH11 ARG B 64 25.002 4.685 -7.899 1.00 1.05 H new ATOM 0 HH12 ARG B 64 26.481 5.645 -7.794 1.00 1.05 H new ATOM 0 HH21 ARG B 64 25.791 7.525 -10.698 1.00 1.07 H new ATOM 0 HH22 ARG B 64 26.924 7.246 -9.372 1.00 1.07 H new ATOM 2449 N PHE B 65 18.736 7.712 -9.721 1.00 0.67 N ATOM 2450 CA PHE B 65 17.434 8.086 -10.266 1.00 0.68 C ATOM 2451 C PHE B 65 17.460 9.521 -10.771 1.00 0.70 C ATOM 2452 O PHE B 65 16.855 9.828 -11.801 1.00 0.75 O ATOM 2453 CB PHE B 65 16.337 7.921 -9.210 1.00 0.66 C ATOM 2454 CG PHE B 65 15.215 7.016 -9.639 1.00 0.68 C ATOM 2455 CD1 PHE B 65 14.594 7.188 -10.867 1.00 0.82 C ATOM 2456 CD2 PHE B 65 14.779 5.996 -8.808 1.00 0.88 C ATOM 2457 CE1 PHE B 65 13.562 6.358 -11.258 1.00 0.97 C ATOM 2458 CE2 PHE B 65 13.745 5.163 -9.195 1.00 1.02 C ATOM 2459 CZ PHE B 65 13.137 5.344 -10.421 1.00 1.00 C ATOM 0 H PHE B 65 18.737 7.537 -8.716 1.00 0.67 H new ATOM 0 HA PHE B 65 17.214 7.423 -11.103 1.00 0.68 H new ATOM 0 HB2 PHE B 65 16.781 7.526 -8.296 1.00 0.66 H new ATOM 0 HB3 PHE B 65 15.928 8.902 -8.968 1.00 0.66 H new ATOM 0 HD1 PHE B 65 14.921 7.980 -11.525 1.00 0.82 H new ATOM 0 HD2 PHE B 65 15.252 5.850 -7.848 1.00 0.88 H new ATOM 0 HE1 PHE B 65 13.087 6.501 -12.217 1.00 0.97 H new ATOM 0 HE2 PHE B 65 13.414 4.372 -8.539 1.00 1.02 H new ATOM 0 HZ PHE B 65 12.330 4.694 -10.726 1.00 1.00 H new ATOM 2469 N LYS B 66 18.166 10.382 -10.033 1.00 0.68 N ATOM 2470 CA LYS B 66 18.314 11.795 -10.383 1.00 0.71 C ATOM 2471 C LYS B 66 16.982 12.538 -10.276 1.00 0.70 C ATOM 2472 O LYS B 66 16.139 12.464 -11.170 1.00 0.83 O ATOM 2473 CB LYS B 66 18.903 11.934 -11.793 1.00 0.79 C ATOM 2474 CG LYS B 66 19.108 13.372 -12.240 1.00 0.93 C ATOM 2475 CD LYS B 66 19.520 13.440 -13.704 1.00 1.05 C ATOM 2476 CE LYS B 66 18.368 13.069 -14.628 1.00 1.07 C ATOM 2477 NZ LYS B 66 18.848 12.576 -15.945 1.00 1.27 N ATOM 0 H LYS B 66 18.651 10.118 -9.176 1.00 0.68 H new ATOM 0 HA LYS B 66 19.002 12.250 -9.670 1.00 0.71 H new ATOM 0 HB2 LYS B 66 19.860 11.414 -11.828 1.00 0.79 H new ATOM 0 HB3 LYS B 66 18.243 11.435 -12.502 1.00 0.79 H new ATOM 0 HG2 LYS B 66 18.187 13.936 -12.092 1.00 0.93 H new ATOM 0 HG3 LYS B 66 19.873 13.842 -11.622 1.00 0.93 H new ATOM 0 HD2 LYS B 66 19.866 14.447 -13.939 1.00 1.05 H new ATOM 0 HD3 LYS B 66 20.359 12.766 -13.878 1.00 1.05 H new ATOM 0 HE2 LYS B 66 17.756 12.301 -14.154 1.00 1.07 H new ATOM 0 HE3 LYS B 66 17.728 13.939 -14.778 1.00 1.07 H new ATOM 0 HZ1 LYS B 66 18.032 12.335 -16.544 1.00 1.27 H new ATOM 0 HZ2 LYS B 66 19.411 13.317 -16.409 1.00 1.27 H new ATOM 0 HZ3 LYS B 66 19.437 11.731 -15.805 1.00 1.27 H new ATOM 2491 N SER B 67 16.796 13.246 -9.169 1.00 0.66 N ATOM 2492 CA SER B 67 15.573 14.005 -8.939 1.00 0.68 C ATOM 2493 C SER B 67 15.771 15.004 -7.801 1.00 0.69 C ATOM 2494 O SER B 67 15.980 16.194 -8.040 1.00 0.90 O ATOM 2495 CB SER B 67 14.406 13.058 -8.627 1.00 0.68 C ATOM 2496 OG SER B 67 14.840 11.948 -7.854 1.00 1.34 O ATOM 0 H SER B 67 17.479 13.310 -8.414 1.00 0.66 H new ATOM 0 HA SER B 67 15.334 14.560 -9.846 1.00 0.68 H new ATOM 0 HB2 SER B 67 13.629 13.599 -8.087 1.00 0.68 H new ATOM 0 HB3 SER B 67 13.961 12.705 -9.558 1.00 0.68 H new ATOM 0 HG SER B 67 14.078 11.361 -7.667 1.00 1.34 H new ATOM 2502 N GLN B 68 15.717 14.507 -6.570 1.00 0.59 N ATOM 2503 CA GLN B 68 15.883 15.339 -5.385 1.00 0.59 C ATOM 2504 C GLN B 68 16.436 14.507 -4.233 1.00 0.54 C ATOM 2505 O GLN B 68 16.629 13.299 -4.372 1.00 0.52 O ATOM 2506 CB GLN B 68 14.545 15.963 -4.986 1.00 0.64 C ATOM 2507 CG GLN B 68 14.344 17.367 -5.533 1.00 0.79 C ATOM 2508 CD GLN B 68 12.916 17.854 -5.399 1.00 0.85 C ATOM 2509 OE1 GLN B 68 11.973 17.073 -5.502 1.00 1.14 O ATOM 2510 NE2 GLN B 68 12.750 19.144 -5.159 1.00 1.09 N ATOM 0 H GLN B 68 15.558 13.520 -6.366 1.00 0.59 H new ATOM 0 HA GLN B 68 16.589 16.138 -5.614 1.00 0.59 H new ATOM 0 HB2 GLN B 68 13.735 15.324 -5.340 1.00 0.64 H new ATOM 0 HB3 GLN B 68 14.476 15.992 -3.899 1.00 0.64 H new ATOM 0 HG2 GLN B 68 15.007 18.054 -5.008 1.00 0.79 H new ATOM 0 HG3 GLN B 68 14.632 17.386 -6.584 1.00 0.79 H new ATOM 0 HE21 GLN B 68 13.562 19.757 -5.081 1.00 1.09 H new ATOM 0 HE22 GLN B 68 11.810 19.526 -5.052 1.00 1.09 H new ATOM 2519 N THR B 69 16.694 15.153 -3.101 1.00 0.56 N ATOM 2520 CA THR B 69 17.221 14.457 -1.935 1.00 0.56 C ATOM 2521 C THR B 69 16.487 14.869 -0.660 1.00 0.54 C ATOM 2522 O THR B 69 15.962 14.029 0.068 1.00 0.55 O ATOM 2523 CB THR B 69 18.726 14.734 -1.753 1.00 0.63 C ATOM 2524 OG1 THR B 69 19.355 14.881 -3.034 1.00 0.74 O ATOM 2525 CG2 THR B 69 19.400 13.608 -0.984 1.00 0.70 C ATOM 0 H THR B 69 16.547 16.153 -2.967 1.00 0.56 H new ATOM 0 HA THR B 69 17.067 13.392 -2.110 1.00 0.56 H new ATOM 0 HB THR B 69 18.833 15.657 -1.183 1.00 0.63 H new ATOM 0 HG1 THR B 69 20.311 15.058 -2.911 1.00 0.74 H new ATOM 0 HG21 THR B 69 20.461 13.829 -0.870 1.00 0.70 H new ATOM 0 HG22 THR B 69 18.941 13.514 0.000 1.00 0.70 H new ATOM 0 HG23 THR B 69 19.281 12.672 -1.530 1.00 0.70 H new ATOM 2533 N ASP B 70 16.448 16.169 -0.401 1.00 0.56 N ATOM 2534 CA ASP B 70 15.797 16.702 0.795 1.00 0.58 C ATOM 2535 C ASP B 70 14.278 16.586 0.705 1.00 0.55 C ATOM 2536 O ASP B 70 13.613 16.234 1.679 1.00 0.57 O ATOM 2537 CB ASP B 70 16.205 18.166 0.998 1.00 0.66 C ATOM 2538 CG ASP B 70 15.317 18.902 1.983 1.00 0.76 C ATOM 2539 OD1 ASP B 70 15.531 18.762 3.206 1.00 0.99 O ATOM 2540 OD2 ASP B 70 14.419 19.648 1.534 1.00 0.95 O ATOM 0 H ASP B 70 16.861 16.880 -1.005 1.00 0.56 H new ATOM 0 HA ASP B 70 16.123 16.111 1.651 1.00 0.58 H new ATOM 0 HB2 ASP B 70 17.236 18.204 1.350 1.00 0.66 H new ATOM 0 HB3 ASP B 70 16.177 18.681 0.038 1.00 0.66 H new ATOM 2545 N GLN B 71 13.734 16.871 -0.469 1.00 0.56 N ATOM 2546 CA GLN B 71 12.291 16.815 -0.669 1.00 0.58 C ATOM 2547 C GLN B 71 11.827 15.424 -1.097 1.00 0.54 C ATOM 2548 O GLN B 71 10.646 15.215 -1.369 1.00 0.66 O ATOM 2549 CB GLN B 71 11.863 17.846 -1.706 1.00 0.65 C ATOM 2550 CG GLN B 71 11.474 19.183 -1.096 1.00 0.83 C ATOM 2551 CD GLN B 71 11.080 20.203 -2.142 1.00 0.92 C ATOM 2552 OE1 GLN B 71 9.918 20.292 -2.533 1.00 1.13 O ATOM 2553 NE2 GLN B 71 12.043 20.988 -2.596 1.00 1.18 N ATOM 0 H GLN B 71 14.266 17.143 -1.296 1.00 0.56 H new ATOM 0 HA GLN B 71 11.820 17.042 0.288 1.00 0.58 H new ATOM 0 HB2 GLN B 71 12.678 18.000 -2.413 1.00 0.65 H new ATOM 0 HB3 GLN B 71 11.019 17.453 -2.273 1.00 0.65 H new ATOM 0 HG2 GLN B 71 10.644 19.036 -0.405 1.00 0.83 H new ATOM 0 HG3 GLN B 71 12.310 19.570 -0.512 1.00 0.83 H new ATOM 0 HE21 GLN B 71 12.995 20.882 -2.246 1.00 1.18 H new ATOM 0 HE22 GLN B 71 11.833 21.699 -3.296 1.00 1.18 H new ATOM 2562 N LEU B 72 12.750 14.476 -1.152 1.00 0.51 N ATOM 2563 CA LEU B 72 12.407 13.116 -1.539 1.00 0.49 C ATOM 2564 C LEU B 72 11.995 12.319 -0.306 1.00 0.43 C ATOM 2565 O LEU B 72 12.796 12.114 0.612 1.00 0.51 O ATOM 2566 CB LEU B 72 13.580 12.438 -2.254 1.00 0.57 C ATOM 2567 CG LEU B 72 13.209 11.196 -3.068 1.00 0.72 C ATOM 2568 CD1 LEU B 72 13.929 11.208 -4.407 1.00 0.88 C ATOM 2569 CD2 LEU B 72 13.535 9.927 -2.286 1.00 1.00 C ATOM 0 H LEU B 72 13.736 14.621 -0.935 1.00 0.51 H new ATOM 0 HA LEU B 72 11.569 13.151 -2.235 1.00 0.49 H new ATOM 0 HB2 LEU B 72 14.049 13.163 -2.919 1.00 0.57 H new ATOM 0 HB3 LEU B 72 14.326 12.158 -1.511 1.00 0.57 H new ATOM 0 HG LEU B 72 12.136 11.210 -3.257 1.00 0.72 H new ATOM 0 HD11 LEU B 72 13.656 10.319 -4.975 1.00 0.88 H new ATOM 0 HD12 LEU B 72 13.642 12.098 -4.966 1.00 0.88 H new ATOM 0 HD13 LEU B 72 15.006 11.215 -4.241 1.00 0.88 H new ATOM 0 HD21 LEU B 72 13.265 9.054 -2.880 1.00 1.00 H new ATOM 0 HD22 LEU B 72 14.602 9.900 -2.065 1.00 1.00 H new ATOM 0 HD23 LEU B 72 12.971 9.920 -1.353 1.00 1.00 H new ATOM 2581 N VAL B 73 10.743 11.887 -0.276 1.00 0.37 N ATOM 2582 CA VAL B 73 10.224 11.139 0.861 1.00 0.35 C ATOM 2583 C VAL B 73 9.730 9.760 0.448 1.00 0.30 C ATOM 2584 O VAL B 73 9.070 9.606 -0.583 1.00 0.31 O ATOM 2585 CB VAL B 73 9.058 11.885 1.537 1.00 0.42 C ATOM 2586 CG1 VAL B 73 8.808 11.337 2.938 1.00 0.46 C ATOM 2587 CG2 VAL B 73 9.325 13.381 1.574 1.00 0.55 C ATOM 0 H VAL B 73 10.068 12.041 -1.025 1.00 0.37 H new ATOM 0 HA VAL B 73 11.053 11.034 1.561 1.00 0.35 H new ATOM 0 HB VAL B 73 8.157 11.720 0.946 1.00 0.42 H new ATOM 0 HG11 VAL B 73 7.981 11.878 3.398 1.00 0.46 H new ATOM 0 HG12 VAL B 73 8.559 10.278 2.875 1.00 0.46 H new ATOM 0 HG13 VAL B 73 9.705 11.464 3.544 1.00 0.46 H new ATOM 0 HG21 VAL B 73 8.489 13.888 2.056 1.00 0.55 H new ATOM 0 HG22 VAL B 73 10.239 13.574 2.136 1.00 0.55 H new ATOM 0 HG23 VAL B 73 9.439 13.755 0.557 1.00 0.55 H new ATOM 2597 N LEU B 74 10.045 8.766 1.267 1.00 0.30 N ATOM 2598 CA LEU B 74 9.617 7.401 1.022 1.00 0.29 C ATOM 2599 C LEU B 74 8.351 7.138 1.825 1.00 0.28 C ATOM 2600 O LEU B 74 8.192 7.668 2.920 1.00 0.36 O ATOM 2601 CB LEU B 74 10.713 6.399 1.411 1.00 0.33 C ATOM 2602 CG LEU B 74 11.889 6.276 0.433 1.00 0.42 C ATOM 2603 CD1 LEU B 74 11.398 6.140 -0.998 1.00 0.57 C ATOM 2604 CD2 LEU B 74 12.832 7.462 0.570 1.00 0.64 C ATOM 0 H LEU B 74 10.601 8.884 2.114 1.00 0.30 H new ATOM 0 HA LEU B 74 9.419 7.272 -0.042 1.00 0.29 H new ATOM 0 HB2 LEU B 74 11.106 6.682 2.387 1.00 0.33 H new ATOM 0 HB3 LEU B 74 10.256 5.416 1.524 1.00 0.33 H new ATOM 0 HG LEU B 74 12.441 5.371 0.685 1.00 0.42 H new ATOM 0 HD11 LEU B 74 12.253 6.055 -1.669 1.00 0.57 H new ATOM 0 HD12 LEU B 74 10.777 5.249 -1.086 1.00 0.57 H new ATOM 0 HD13 LEU B 74 10.812 7.019 -1.267 1.00 0.57 H new ATOM 0 HD21 LEU B 74 13.658 7.353 -0.133 1.00 0.64 H new ATOM 0 HD22 LEU B 74 12.291 8.384 0.355 1.00 0.64 H new ATOM 0 HD23 LEU B 74 13.223 7.500 1.587 1.00 0.64 H new ATOM 2616 N ILE B 75 7.447 6.345 1.284 1.00 0.29 N ATOM 2617 CA ILE B 75 6.196 6.056 1.968 1.00 0.33 C ATOM 2618 C ILE B 75 6.026 4.570 2.231 1.00 0.31 C ATOM 2619 O ILE B 75 6.159 3.751 1.322 1.00 0.36 O ATOM 2620 CB ILE B 75 4.982 6.538 1.152 1.00 0.43 C ATOM 2621 CG1 ILE B 75 5.099 8.031 0.822 1.00 0.47 C ATOM 2622 CG2 ILE B 75 3.688 6.249 1.896 1.00 0.54 C ATOM 2623 CD1 ILE B 75 5.325 8.912 2.032 1.00 0.74 C ATOM 0 H ILE B 75 7.552 5.890 0.377 1.00 0.29 H new ATOM 0 HA ILE B 75 6.242 6.591 2.916 1.00 0.33 H new ATOM 0 HB ILE B 75 4.966 5.987 0.211 1.00 0.43 H new ATOM 0 HG12 ILE B 75 5.922 8.175 0.122 1.00 0.47 H new ATOM 0 HG13 ILE B 75 4.189 8.353 0.315 1.00 0.47 H new ATOM 0 HG21 ILE B 75 2.842 6.597 1.303 1.00 0.54 H new ATOM 0 HG22 ILE B 75 3.597 5.176 2.064 1.00 0.54 H new ATOM 0 HG23 ILE B 75 3.696 6.767 2.855 1.00 0.54 H new ATOM 0 HD11 ILE B 75 5.397 9.953 1.716 1.00 0.74 H new ATOM 0 HD12 ILE B 75 4.491 8.800 2.725 1.00 0.74 H new ATOM 0 HD13 ILE B 75 6.250 8.619 2.528 1.00 0.74 H new ATOM 2635 N PHE B 76 5.710 4.232 3.473 1.00 0.31 N ATOM 2636 CA PHE B 76 5.494 2.847 3.848 1.00 0.35 C ATOM 2637 C PHE B 76 4.083 2.659 4.403 1.00 0.31 C ATOM 2638 O PHE B 76 3.895 2.482 5.606 1.00 0.40 O ATOM 2639 CB PHE B 76 6.540 2.380 4.865 1.00 0.48 C ATOM 2640 CG PHE B 76 6.424 0.925 5.222 1.00 0.55 C ATOM 2641 CD1 PHE B 76 6.441 -0.052 4.235 1.00 0.65 C ATOM 2642 CD2 PHE B 76 6.293 0.536 6.543 1.00 0.62 C ATOM 2643 CE1 PHE B 76 6.326 -1.387 4.565 1.00 0.77 C ATOM 2644 CE2 PHE B 76 6.178 -0.801 6.878 1.00 0.72 C ATOM 2645 CZ PHE B 76 6.195 -1.761 5.889 1.00 0.78 C ATOM 0 H PHE B 76 5.598 4.900 4.236 1.00 0.31 H new ATOM 0 HA PHE B 76 5.601 2.234 2.953 1.00 0.35 H new ATOM 0 HB2 PHE B 76 7.535 2.569 4.463 1.00 0.48 H new ATOM 0 HB3 PHE B 76 6.445 2.977 5.772 1.00 0.48 H new ATOM 0 HD1 PHE B 76 6.545 0.236 3.199 1.00 0.65 H new ATOM 0 HD2 PHE B 76 6.280 1.285 7.321 1.00 0.62 H new ATOM 0 HE1 PHE B 76 6.338 -2.139 3.790 1.00 0.77 H new ATOM 0 HE2 PHE B 76 6.075 -1.092 7.913 1.00 0.72 H new ATOM 0 HZ PHE B 76 6.106 -2.806 6.149 1.00 0.78 H new ATOM 2655 N ALA B 77 3.102 2.753 3.510 1.00 0.40 N ATOM 2656 CA ALA B 77 1.690 2.564 3.850 1.00 0.48 C ATOM 2657 C ALA B 77 1.189 3.539 4.912 1.00 0.41 C ATOM 2658 O ALA B 77 1.226 3.247 6.108 1.00 0.44 O ATOM 2659 CB ALA B 77 1.440 1.136 4.304 1.00 0.62 C ATOM 0 H ALA B 77 3.262 2.963 2.525 1.00 0.40 H new ATOM 0 HA ALA B 77 1.127 2.770 2.939 1.00 0.48 H new ATOM 0 HB1 ALA B 77 0.386 1.013 4.553 1.00 0.62 H new ATOM 0 HB2 ALA B 77 1.707 0.447 3.502 1.00 0.62 H new ATOM 0 HB3 ALA B 77 2.048 0.922 5.183 1.00 0.62 H new ATOM 2665 N GLY B 78 0.718 4.696 4.462 1.00 0.46 N ATOM 2666 CA GLY B 78 0.185 5.695 5.371 1.00 0.54 C ATOM 2667 C GLY B 78 1.212 6.271 6.325 1.00 0.50 C ATOM 2668 O GLY B 78 0.849 6.913 7.307 1.00 0.63 O ATOM 0 H GLY B 78 0.696 4.962 3.477 1.00 0.46 H new ATOM 0 HA2 GLY B 78 -0.250 6.507 4.788 1.00 0.54 H new ATOM 0 HA3 GLY B 78 -0.624 5.250 5.950 1.00 0.54 H new ATOM 2672 N LYS B 79 2.486 6.071 6.030 1.00 0.42 N ATOM 2673 CA LYS B 79 3.552 6.570 6.886 1.00 0.43 C ATOM 2674 C LYS B 79 4.689 7.139 6.054 1.00 0.39 C ATOM 2675 O LYS B 79 5.017 6.605 4.991 1.00 0.43 O ATOM 2676 CB LYS B 79 4.080 5.456 7.793 1.00 0.50 C ATOM 2677 CG LYS B 79 3.946 5.768 9.276 1.00 0.72 C ATOM 2678 CD LYS B 79 2.489 5.768 9.714 1.00 1.16 C ATOM 2679 CE LYS B 79 2.298 6.512 11.025 1.00 1.57 C ATOM 2680 NZ LYS B 79 0.862 6.677 11.379 1.00 2.02 N ATOM 0 H LYS B 79 2.808 5.567 5.204 1.00 0.42 H new ATOM 0 HA LYS B 79 3.140 7.366 7.507 1.00 0.43 H new ATOM 0 HB2 LYS B 79 3.542 4.534 7.574 1.00 0.50 H new ATOM 0 HB3 LYS B 79 5.130 5.276 7.561 1.00 0.50 H new ATOM 0 HG2 LYS B 79 4.502 5.031 9.856 1.00 0.72 H new ATOM 0 HG3 LYS B 79 4.391 6.741 9.486 1.00 0.72 H new ATOM 0 HD2 LYS B 79 1.876 6.230 8.940 1.00 1.16 H new ATOM 0 HD3 LYS B 79 2.142 4.741 9.824 1.00 1.16 H new ATOM 0 HE2 LYS B 79 2.807 5.972 11.824 1.00 1.57 H new ATOM 0 HE3 LYS B 79 2.767 7.493 10.955 1.00 1.57 H new ATOM 0 HZ1 LYS B 79 0.783 7.190 12.280 1.00 2.02 H new ATOM 0 HZ2 LYS B 79 0.380 7.215 10.631 1.00 2.02 H new ATOM 0 HZ3 LYS B 79 0.418 5.741 11.473 1.00 2.02 H new ATOM 2694 N ILE B 80 5.291 8.216 6.544 1.00 0.37 N ATOM 2695 CA ILE B 80 6.393 8.863 5.848 1.00 0.39 C ATOM 2696 C ILE B 80 7.738 8.414 6.405 1.00 0.39 C ATOM 2697 O ILE B 80 7.957 8.414 7.618 1.00 0.61 O ATOM 2698 CB ILE B 80 6.297 10.402 5.933 1.00 0.52 C ATOM 2699 CG1 ILE B 80 6.023 10.847 7.371 1.00 0.67 C ATOM 2700 CG2 ILE B 80 5.210 10.918 5.003 1.00 0.97 C ATOM 2701 CD1 ILE B 80 6.153 12.338 7.580 1.00 1.18 C ATOM 0 H ILE B 80 5.032 8.660 7.425 1.00 0.37 H new ATOM 0 HA ILE B 80 6.319 8.564 4.802 1.00 0.39 H new ATOM 0 HB ILE B 80 7.252 10.823 5.619 1.00 0.52 H new ATOM 0 HG12 ILE B 80 5.017 10.536 7.653 1.00 0.67 H new ATOM 0 HG13 ILE B 80 6.715 10.334 8.039 1.00 0.67 H new ATOM 0 HG21 ILE B 80 5.155 12.004 5.075 1.00 0.97 H new ATOM 0 HG22 ILE B 80 5.444 10.633 3.977 1.00 0.97 H new ATOM 0 HG23 ILE B 80 4.251 10.487 5.290 1.00 0.97 H new ATOM 0 HD11 ILE B 80 5.945 12.579 8.622 1.00 1.18 H new ATOM 0 HD12 ILE B 80 7.166 12.653 7.330 1.00 1.18 H new ATOM 0 HD13 ILE B 80 5.442 12.859 6.938 1.00 1.18 H new ATOM 2713 N LEU B 81 8.619 8.016 5.504 1.00 0.30 N ATOM 2714 CA LEU B 81 9.954 7.568 5.861 1.00 0.34 C ATOM 2715 C LEU B 81 10.971 8.602 5.407 1.00 0.36 C ATOM 2716 O LEU B 81 10.889 9.116 4.286 1.00 0.46 O ATOM 2717 CB LEU B 81 10.253 6.210 5.219 1.00 0.44 C ATOM 2718 CG LEU B 81 9.881 4.986 6.061 1.00 0.57 C ATOM 2719 CD1 LEU B 81 8.389 4.956 6.358 1.00 1.01 C ATOM 2720 CD2 LEU B 81 10.307 3.713 5.350 1.00 0.78 C ATOM 0 H LEU B 81 8.429 7.994 4.502 1.00 0.30 H new ATOM 0 HA LEU B 81 10.015 7.453 6.943 1.00 0.34 H new ATOM 0 HB2 LEU B 81 9.721 6.152 4.270 1.00 0.44 H new ATOM 0 HB3 LEU B 81 11.318 6.162 4.991 1.00 0.44 H new ATOM 0 HG LEU B 81 10.410 5.054 7.012 1.00 0.57 H new ATOM 0 HD11 LEU B 81 8.155 4.076 6.957 1.00 1.01 H new ATOM 0 HD12 LEU B 81 8.109 5.854 6.908 1.00 1.01 H new ATOM 0 HD13 LEU B 81 7.832 4.916 5.422 1.00 1.01 H new ATOM 0 HD21 LEU B 81 10.038 2.849 5.958 1.00 0.78 H new ATOM 0 HD22 LEU B 81 9.804 3.649 4.385 1.00 0.78 H new ATOM 0 HD23 LEU B 81 11.386 3.726 5.196 1.00 0.78 H new ATOM 2732 N LYS B 82 11.921 8.908 6.271 1.00 0.39 N ATOM 2733 CA LYS B 82 12.938 9.899 5.966 1.00 0.47 C ATOM 2734 C LYS B 82 14.132 9.745 6.907 1.00 0.49 C ATOM 2735 O LYS B 82 14.528 8.633 7.249 1.00 0.63 O ATOM 2736 CB LYS B 82 12.337 11.307 6.087 1.00 0.54 C ATOM 2737 CG LYS B 82 12.842 12.289 5.035 1.00 0.94 C ATOM 2738 CD LYS B 82 12.281 13.689 5.251 1.00 1.01 C ATOM 2739 CE LYS B 82 10.796 13.760 4.917 1.00 1.22 C ATOM 2740 NZ LYS B 82 10.259 15.144 5.030 1.00 1.35 N ATOM 0 H LYS B 82 12.010 8.483 7.194 1.00 0.39 H new ATOM 0 HA LYS B 82 13.288 9.748 4.945 1.00 0.47 H new ATOM 0 HB2 LYS B 82 11.252 11.236 6.011 1.00 0.54 H new ATOM 0 HB3 LYS B 82 12.562 11.703 7.077 1.00 0.54 H new ATOM 0 HG2 LYS B 82 13.931 12.325 5.065 1.00 0.94 H new ATOM 0 HG3 LYS B 82 12.562 11.934 4.043 1.00 0.94 H new ATOM 0 HD2 LYS B 82 12.435 13.987 6.288 1.00 1.01 H new ATOM 0 HD3 LYS B 82 12.828 14.400 4.631 1.00 1.01 H new ATOM 0 HE2 LYS B 82 10.635 13.392 3.904 1.00 1.22 H new ATOM 0 HE3 LYS B 82 10.243 13.102 5.587 1.00 1.22 H new ATOM 0 HZ1 LYS B 82 9.509 15.284 4.323 1.00 1.35 H new ATOM 0 HZ2 LYS B 82 9.868 15.288 5.983 1.00 1.35 H new ATOM 0 HZ3 LYS B 82 11.024 15.828 4.863 1.00 1.35 H new ATOM 2754 N ASP B 83 14.699 10.870 7.326 1.00 0.60 N ATOM 2755 CA ASP B 83 15.853 10.872 8.227 1.00 0.68 C ATOM 2756 C ASP B 83 15.390 10.865 9.677 1.00 0.68 C ATOM 2757 O ASP B 83 16.177 11.086 10.596 1.00 0.89 O ATOM 2758 CB ASP B 83 16.733 12.104 7.973 1.00 0.88 C ATOM 2759 CG ASP B 83 16.532 12.696 6.589 1.00 1.20 C ATOM 2760 OD1 ASP B 83 17.189 12.231 5.635 1.00 1.56 O ATOM 2761 OD2 ASP B 83 15.702 13.620 6.448 1.00 1.52 O ATOM 0 H ASP B 83 14.378 11.800 7.056 1.00 0.60 H new ATOM 0 HA ASP B 83 16.439 9.973 8.033 1.00 0.68 H new ATOM 0 HB2 ASP B 83 16.512 12.863 8.723 1.00 0.88 H new ATOM 0 HB3 ASP B 83 17.780 11.828 8.097 1.00 0.88 H new ATOM 2766 N GLN B 84 14.108 10.602 9.870 1.00 0.60 N ATOM 2767 CA GLN B 84 13.520 10.567 11.199 1.00 0.67 C ATOM 2768 C GLN B 84 13.276 9.131 11.644 1.00 0.61 C ATOM 2769 O GLN B 84 12.825 8.885 12.760 1.00 0.81 O ATOM 2770 CB GLN B 84 12.201 11.347 11.208 1.00 0.77 C ATOM 2771 CG GLN B 84 12.328 12.782 10.720 1.00 0.93 C ATOM 2772 CD GLN B 84 10.983 13.468 10.594 1.00 1.13 C ATOM 2773 OE1 GLN B 84 10.056 13.186 11.350 1.00 1.32 O ATOM 2774 NE2 GLN B 84 10.867 14.378 9.640 1.00 1.28 N ATOM 0 H GLN B 84 13.449 10.408 9.116 1.00 0.60 H new ATOM 0 HA GLN B 84 14.218 11.031 11.896 1.00 0.67 H new ATOM 0 HB2 GLN B 84 11.477 10.824 10.583 1.00 0.77 H new ATOM 0 HB3 GLN B 84 11.801 11.353 12.222 1.00 0.77 H new ATOM 0 HG2 GLN B 84 12.957 13.344 11.411 1.00 0.93 H new ATOM 0 HG3 GLN B 84 12.830 12.791 9.753 1.00 0.93 H new ATOM 0 HE21 GLN B 84 11.660 14.584 9.032 1.00 1.28 H new ATOM 0 HE22 GLN B 84 9.985 14.873 9.512 1.00 1.28 H new ATOM 2783 N ASP B 85 13.579 8.182 10.769 1.00 0.52 N ATOM 2784 CA ASP B 85 13.376 6.773 11.074 1.00 0.51 C ATOM 2785 C ASP B 85 14.473 5.931 10.435 1.00 0.44 C ATOM 2786 O ASP B 85 15.501 6.466 10.017 1.00 0.48 O ATOM 2787 CB ASP B 85 11.996 6.321 10.583 1.00 0.61 C ATOM 2788 CG ASP B 85 11.933 6.180 9.077 1.00 0.68 C ATOM 2789 OD1 ASP B 85 11.956 7.216 8.377 1.00 0.76 O ATOM 2790 OD2 ASP B 85 11.869 5.032 8.591 1.00 0.86 O ATOM 0 H ASP B 85 13.966 8.362 9.843 1.00 0.52 H new ATOM 0 HA ASP B 85 13.422 6.636 12.154 1.00 0.51 H new ATOM 0 HB2 ASP B 85 11.745 5.366 11.045 1.00 0.61 H new ATOM 0 HB3 ASP B 85 11.245 7.040 10.909 1.00 0.61 H new ATOM 2795 N THR B 86 14.278 4.622 10.389 1.00 0.49 N ATOM 2796 CA THR B 86 15.258 3.730 9.798 1.00 0.47 C ATOM 2797 C THR B 86 14.570 2.716 8.882 1.00 0.42 C ATOM 2798 O THR B 86 13.688 1.966 9.314 1.00 0.41 O ATOM 2799 CB THR B 86 16.064 2.996 10.885 1.00 0.54 C ATOM 2800 OG1 THR B 86 16.083 3.783 12.087 1.00 0.67 O ATOM 2801 CG2 THR B 86 17.491 2.737 10.426 1.00 0.67 C ATOM 0 H THR B 86 13.448 4.155 10.755 1.00 0.49 H new ATOM 0 HA THR B 86 15.948 4.332 9.207 1.00 0.47 H new ATOM 0 HB THR B 86 15.584 2.037 11.077 1.00 0.54 H new ATOM 0 HG1 THR B 86 16.595 3.313 12.778 1.00 0.67 H new ATOM 0 HG21 THR B 86 18.038 2.217 11.213 1.00 0.67 H new ATOM 0 HG22 THR B 86 17.478 2.122 9.526 1.00 0.67 H new ATOM 0 HG23 THR B 86 17.981 3.686 10.209 1.00 0.67 H new ATOM 2809 N LEU B 87 14.981 2.707 7.620 1.00 0.43 N ATOM 2810 CA LEU B 87 14.406 1.822 6.608 1.00 0.42 C ATOM 2811 C LEU B 87 14.437 0.355 7.032 1.00 0.42 C ATOM 2812 O LEU B 87 13.420 -0.333 6.975 1.00 0.44 O ATOM 2813 CB LEU B 87 15.153 1.994 5.282 1.00 0.51 C ATOM 2814 CG LEU B 87 14.578 1.199 4.109 1.00 0.52 C ATOM 2815 CD1 LEU B 87 13.209 1.729 3.725 1.00 0.61 C ATOM 2816 CD2 LEU B 87 15.522 1.244 2.920 1.00 0.66 C ATOM 0 H LEU B 87 15.722 3.312 7.267 1.00 0.43 H new ATOM 0 HA LEU B 87 13.360 2.104 6.487 1.00 0.42 H new ATOM 0 HB2 LEU B 87 15.156 3.052 5.018 1.00 0.51 H new ATOM 0 HB3 LEU B 87 16.192 1.699 5.427 1.00 0.51 H new ATOM 0 HG LEU B 87 14.468 0.160 4.420 1.00 0.52 H new ATOM 0 HD11 LEU B 87 12.816 1.151 2.889 1.00 0.61 H new ATOM 0 HD12 LEU B 87 12.533 1.641 4.576 1.00 0.61 H new ATOM 0 HD13 LEU B 87 13.293 2.776 3.434 1.00 0.61 H new ATOM 0 HD21 LEU B 87 15.096 0.673 2.095 1.00 0.66 H new ATOM 0 HD22 LEU B 87 15.666 2.279 2.609 1.00 0.66 H new ATOM 0 HD23 LEU B 87 16.483 0.813 3.202 1.00 0.66 H new ATOM 2828 N ILE B 88 15.597 -0.111 7.466 1.00 0.47 N ATOM 2829 CA ILE B 88 15.759 -1.504 7.879 1.00 0.53 C ATOM 2830 C ILE B 88 15.105 -1.797 9.227 1.00 0.54 C ATOM 2831 O ILE B 88 15.083 -2.943 9.674 1.00 0.66 O ATOM 2832 CB ILE B 88 17.252 -1.897 7.954 1.00 0.62 C ATOM 2833 CG1 ILE B 88 18.042 -0.907 8.823 1.00 0.65 C ATOM 2834 CG2 ILE B 88 17.845 -1.971 6.559 1.00 0.67 C ATOM 2835 CD1 ILE B 88 18.302 -1.405 10.229 1.00 0.91 C ATOM 0 H ILE B 88 16.444 0.452 7.543 1.00 0.47 H new ATOM 0 HA ILE B 88 15.257 -2.100 7.116 1.00 0.53 H new ATOM 0 HB ILE B 88 17.322 -2.880 8.419 1.00 0.62 H new ATOM 0 HG12 ILE B 88 18.996 -0.694 8.340 1.00 0.65 H new ATOM 0 HG13 ILE B 88 17.494 0.034 8.876 1.00 0.65 H new ATOM 0 HG21 ILE B 88 18.897 -2.249 6.625 1.00 0.67 H new ATOM 0 HG22 ILE B 88 17.308 -2.719 5.975 1.00 0.67 H new ATOM 0 HG23 ILE B 88 17.756 -0.999 6.074 1.00 0.67 H new ATOM 0 HD11 ILE B 88 18.864 -0.653 10.783 1.00 0.91 H new ATOM 0 HD12 ILE B 88 17.352 -1.591 10.731 1.00 0.91 H new ATOM 0 HD13 ILE B 88 18.877 -2.330 10.187 1.00 0.91 H new ATOM 2847 N GLN B 89 14.572 -0.774 9.875 1.00 0.48 N ATOM 2848 CA GLN B 89 13.948 -0.958 11.175 1.00 0.53 C ATOM 2849 C GLN B 89 12.466 -1.295 11.042 1.00 0.52 C ATOM 2850 O GLN B 89 11.982 -2.236 11.671 1.00 0.71 O ATOM 2851 CB GLN B 89 14.133 0.291 12.043 1.00 0.57 C ATOM 2852 CG GLN B 89 13.587 0.148 13.456 1.00 0.69 C ATOM 2853 CD GLN B 89 14.337 -0.895 14.261 1.00 0.82 C ATOM 2854 OE1 GLN B 89 15.340 -0.593 14.909 1.00 0.96 O ATOM 2855 NE2 GLN B 89 13.859 -2.130 14.223 1.00 0.89 N ATOM 0 H GLN B 89 14.558 0.184 9.526 1.00 0.48 H new ATOM 0 HA GLN B 89 14.441 -1.801 11.660 1.00 0.53 H new ATOM 0 HB2 GLN B 89 15.195 0.529 12.097 1.00 0.57 H new ATOM 0 HB3 GLN B 89 13.641 1.134 11.558 1.00 0.57 H new ATOM 0 HG2 GLN B 89 13.648 1.110 13.966 1.00 0.69 H new ATOM 0 HG3 GLN B 89 12.532 -0.122 13.410 1.00 0.69 H new ATOM 0 HE21 GLN B 89 13.025 -2.337 13.673 1.00 0.89 H new ATOM 0 HE22 GLN B 89 14.325 -2.873 14.743 1.00 0.89 H new ATOM 2864 N HIS B 90 11.747 -0.547 10.213 1.00 0.49 N ATOM 2865 CA HIS B 90 10.314 -0.783 10.055 1.00 0.51 C ATOM 2866 C HIS B 90 9.886 -0.817 8.590 1.00 0.50 C ATOM 2867 O HIS B 90 8.948 -1.527 8.238 1.00 0.75 O ATOM 2868 CB HIS B 90 9.519 0.292 10.809 1.00 0.59 C ATOM 2869 CG HIS B 90 8.061 -0.015 10.942 1.00 0.72 C ATOM 2870 ND1 HIS B 90 7.074 0.928 10.745 1.00 0.96 N ATOM 2871 CD2 HIS B 90 7.422 -1.167 11.255 1.00 0.92 C ATOM 2872 CE1 HIS B 90 5.893 0.368 10.931 1.00 1.14 C ATOM 2873 NE2 HIS B 90 6.077 -0.898 11.240 1.00 1.10 N ATOM 0 H HIS B 90 12.122 0.215 9.648 1.00 0.49 H new ATOM 0 HA HIS B 90 10.100 -1.765 10.476 1.00 0.51 H new ATOM 0 HB2 HIS B 90 9.947 0.415 11.804 1.00 0.59 H new ATOM 0 HB3 HIS B 90 9.634 1.245 10.292 1.00 0.59 H new ATOM 0 HD2 HIS B 90 7.884 -2.118 11.475 1.00 0.92 H new ATOM 0 HE1 HIS B 90 4.938 0.865 10.844 1.00 1.14 H new ATOM 0 HE2 HIS B 90 5.337 -1.572 11.437 1.00 1.10 H new ATOM 2882 N GLY B 91 10.572 -0.056 7.747 1.00 0.45 N ATOM 2883 CA GLY B 91 10.227 -0.001 6.336 1.00 0.46 C ATOM 2884 C GLY B 91 10.431 -1.315 5.604 1.00 0.45 C ATOM 2885 O GLY B 91 9.483 -2.063 5.374 1.00 0.64 O ATOM 0 H GLY B 91 11.365 0.527 8.015 1.00 0.45 H new ATOM 0 HA2 GLY B 91 9.184 0.301 6.238 1.00 0.46 H new ATOM 0 HA3 GLY B 91 10.828 0.770 5.854 1.00 0.46 H new ATOM 2889 N ILE B 92 11.667 -1.602 5.237 1.00 0.38 N ATOM 2890 CA ILE B 92 11.970 -2.825 4.513 1.00 0.39 C ATOM 2891 C ILE B 92 12.655 -3.831 5.424 1.00 0.41 C ATOM 2892 O ILE B 92 13.739 -3.575 5.941 1.00 0.46 O ATOM 2893 CB ILE B 92 12.872 -2.558 3.287 1.00 0.41 C ATOM 2894 CG1 ILE B 92 12.250 -1.482 2.390 1.00 0.40 C ATOM 2895 CG2 ILE B 92 13.104 -3.843 2.497 1.00 0.47 C ATOM 2896 CD1 ILE B 92 10.938 -1.892 1.756 1.00 0.43 C ATOM 0 H ILE B 92 12.474 -1.008 5.427 1.00 0.38 H new ATOM 0 HA ILE B 92 11.021 -3.230 4.163 1.00 0.39 H new ATOM 0 HB ILE B 92 13.837 -2.198 3.644 1.00 0.41 H new ATOM 0 HG12 ILE B 92 12.090 -0.580 2.980 1.00 0.40 H new ATOM 0 HG13 ILE B 92 12.958 -1.226 1.602 1.00 0.40 H new ATOM 0 HG21 ILE B 92 13.741 -3.632 1.638 1.00 0.47 H new ATOM 0 HG22 ILE B 92 13.589 -4.581 3.136 1.00 0.47 H new ATOM 0 HG23 ILE B 92 12.148 -4.235 2.151 1.00 0.47 H new ATOM 0 HD11 ILE B 92 10.563 -1.077 1.137 1.00 0.43 H new ATOM 0 HD12 ILE B 92 11.093 -2.776 1.137 1.00 0.43 H new ATOM 0 HD13 ILE B 92 10.212 -2.119 2.537 1.00 0.43 H new ATOM 2908 N HIS B 93 12.010 -4.971 5.630 1.00 0.46 N ATOM 2909 CA HIS B 93 12.573 -6.019 6.472 1.00 0.52 C ATOM 2910 C HIS B 93 13.293 -7.053 5.609 1.00 0.54 C ATOM 2911 O HIS B 93 14.268 -7.670 6.042 1.00 0.66 O ATOM 2912 CB HIS B 93 11.476 -6.683 7.312 1.00 0.58 C ATOM 2913 CG HIS B 93 11.044 -5.857 8.489 1.00 0.65 C ATOM 2914 ND1 HIS B 93 9.732 -5.494 8.721 1.00 1.25 N ATOM 2915 CD2 HIS B 93 11.761 -5.327 9.513 1.00 1.25 C ATOM 2916 CE1 HIS B 93 9.663 -4.781 9.831 1.00 1.14 C ATOM 2917 NE2 HIS B 93 10.878 -4.667 10.329 1.00 1.10 N ATOM 0 H HIS B 93 11.100 -5.194 5.228 1.00 0.46 H new ATOM 0 HA HIS B 93 13.296 -5.571 7.154 1.00 0.52 H new ATOM 0 HB2 HIS B 93 10.611 -6.878 6.678 1.00 0.58 H new ATOM 0 HB3 HIS B 93 11.835 -7.649 7.668 1.00 0.58 H new ATOM 0 HD2 HIS B 93 12.828 -5.410 9.658 1.00 1.25 H new ATOM 0 HE1 HIS B 93 8.764 -4.363 10.258 1.00 1.14 H new ATOM 0 HE2 HIS B 93 11.122 -4.168 11.184 1.00 1.10 H new ATOM 2926 N ASP B 94 12.810 -7.229 4.385 1.00 0.58 N ATOM 2927 CA ASP B 94 13.410 -8.177 3.449 1.00 0.63 C ATOM 2928 C ASP B 94 13.122 -7.769 2.008 1.00 0.78 C ATOM 2929 O ASP B 94 14.029 -7.702 1.174 1.00 1.65 O ATOM 2930 CB ASP B 94 12.882 -9.591 3.699 1.00 0.67 C ATOM 2931 CG ASP B 94 13.637 -10.647 2.909 1.00 0.79 C ATOM 2932 OD1 ASP B 94 14.884 -10.567 2.834 1.00 0.92 O ATOM 2933 OD2 ASP B 94 12.986 -11.574 2.375 1.00 1.08 O ATOM 0 H ASP B 94 12.003 -6.727 4.015 1.00 0.58 H new ATOM 0 HA ASP B 94 14.488 -8.168 3.610 1.00 0.63 H new ATOM 0 HB2 ASP B 94 12.954 -9.818 4.763 1.00 0.67 H new ATOM 0 HB3 ASP B 94 11.825 -9.632 3.435 1.00 0.67 H new ATOM 2938 N GLY B 95 11.857 -7.492 1.717 1.00 0.57 N ATOM 2939 CA GLY B 95 11.479 -7.091 0.376 1.00 0.52 C ATOM 2940 C GLY B 95 10.057 -6.580 0.302 1.00 0.46 C ATOM 2941 O GLY B 95 9.107 -7.368 0.329 1.00 0.53 O ATOM 0 H GLY B 95 11.087 -7.538 2.385 1.00 0.57 H new ATOM 0 HA2 GLY B 95 12.159 -6.314 0.028 1.00 0.52 H new ATOM 0 HA3 GLY B 95 11.592 -7.940 -0.299 1.00 0.52 H new ATOM 2945 N LEU B 96 9.907 -5.265 0.199 1.00 0.41 N ATOM 2946 CA LEU B 96 8.589 -4.642 0.123 1.00 0.40 C ATOM 2947 C LEU B 96 8.618 -3.438 -0.814 1.00 0.37 C ATOM 2948 O LEU B 96 9.681 -3.053 -1.311 1.00 0.41 O ATOM 2949 CB LEU B 96 8.115 -4.211 1.518 1.00 0.44 C ATOM 2950 CG LEU B 96 7.706 -5.352 2.452 1.00 0.53 C ATOM 2951 CD1 LEU B 96 7.476 -4.839 3.865 1.00 0.58 C ATOM 2952 CD2 LEU B 96 6.458 -6.048 1.924 1.00 0.70 C ATOM 0 H LEU B 96 10.685 -4.606 0.166 1.00 0.41 H new ATOM 0 HA LEU B 96 7.888 -5.377 -0.273 1.00 0.40 H new ATOM 0 HB2 LEU B 96 8.913 -3.642 1.995 1.00 0.44 H new ATOM 0 HB3 LEU B 96 7.267 -3.536 1.403 1.00 0.44 H new ATOM 0 HG LEU B 96 8.520 -6.077 2.484 1.00 0.53 H new ATOM 0 HD11 LEU B 96 7.186 -5.668 4.510 1.00 0.58 H new ATOM 0 HD12 LEU B 96 8.394 -4.389 4.243 1.00 0.58 H new ATOM 0 HD13 LEU B 96 6.683 -4.092 3.856 1.00 0.58 H new ATOM 0 HD21 LEU B 96 6.180 -6.857 2.599 1.00 0.70 H new ATOM 0 HD22 LEU B 96 5.640 -5.330 1.861 1.00 0.70 H new ATOM 0 HD23 LEU B 96 6.660 -6.455 0.933 1.00 0.70 H new ATOM 2964 N THR B 97 7.453 -2.856 -1.048 1.00 0.39 N ATOM 2965 CA THR B 97 7.326 -1.705 -1.926 1.00 0.39 C ATOM 2966 C THR B 97 7.099 -0.420 -1.134 1.00 0.37 C ATOM 2967 O THR B 97 6.418 -0.427 -0.109 1.00 0.46 O ATOM 2968 CB THR B 97 6.145 -1.906 -2.893 1.00 0.46 C ATOM 2969 OG1 THR B 97 5.385 -3.058 -2.499 1.00 0.83 O ATOM 2970 CG2 THR B 97 6.630 -2.074 -4.323 1.00 0.78 C ATOM 0 H THR B 97 6.573 -3.167 -0.637 1.00 0.39 H new ATOM 0 HA THR B 97 8.258 -1.614 -2.483 1.00 0.39 H new ATOM 0 HB THR B 97 5.514 -1.019 -2.849 1.00 0.46 H new ATOM 0 HG1 THR B 97 4.428 -2.852 -2.551 1.00 0.83 H new ATOM 0 HG21 THR B 97 5.774 -2.214 -4.983 1.00 0.78 H new ATOM 0 HG22 THR B 97 7.181 -1.184 -4.627 1.00 0.78 H new ATOM 0 HG23 THR B 97 7.283 -2.944 -4.386 1.00 0.78 H new ATOM 2978 N VAL B 98 7.671 0.676 -1.611 1.00 0.33 N ATOM 2979 CA VAL B 98 7.517 1.976 -0.961 1.00 0.31 C ATOM 2980 C VAL B 98 7.132 3.039 -1.987 1.00 0.30 C ATOM 2981 O VAL B 98 7.545 2.974 -3.146 1.00 0.36 O ATOM 2982 CB VAL B 98 8.803 2.420 -0.227 1.00 0.31 C ATOM 2983 CG1 VAL B 98 9.019 1.599 1.034 1.00 0.37 C ATOM 2984 CG2 VAL B 98 10.011 2.322 -1.141 1.00 0.34 C ATOM 0 H VAL B 98 8.250 0.694 -2.451 1.00 0.33 H new ATOM 0 HA VAL B 98 6.726 1.867 -0.219 1.00 0.31 H new ATOM 0 HB VAL B 98 8.679 3.464 0.062 1.00 0.31 H new ATOM 0 HG11 VAL B 98 9.930 1.930 1.532 1.00 0.37 H new ATOM 0 HG12 VAL B 98 8.170 1.732 1.704 1.00 0.37 H new ATOM 0 HG13 VAL B 98 9.112 0.545 0.771 1.00 0.37 H new ATOM 0 HG21 VAL B 98 10.903 2.640 -0.601 1.00 0.34 H new ATOM 0 HG22 VAL B 98 10.135 1.291 -1.471 1.00 0.34 H new ATOM 0 HG23 VAL B 98 9.864 2.965 -2.009 1.00 0.34 H new ATOM 2994 N HIS B 99 6.333 4.006 -1.564 1.00 0.29 N ATOM 2995 CA HIS B 99 5.895 5.083 -2.449 1.00 0.31 C ATOM 2996 C HIS B 99 6.871 6.252 -2.361 1.00 0.30 C ATOM 2997 O HIS B 99 7.661 6.327 -1.424 1.00 0.47 O ATOM 2998 CB HIS B 99 4.484 5.549 -2.074 1.00 0.38 C ATOM 2999 CG HIS B 99 3.588 5.791 -3.249 1.00 0.47 C ATOM 3000 ND1 HIS B 99 2.827 4.802 -3.832 1.00 0.68 N ATOM 3001 CD2 HIS B 99 3.327 6.924 -3.946 1.00 0.71 C ATOM 3002 CE1 HIS B 99 2.143 5.315 -4.835 1.00 0.81 C ATOM 3003 NE2 HIS B 99 2.426 6.595 -4.925 1.00 0.81 N ATOM 0 H HIS B 99 5.972 4.070 -0.612 1.00 0.29 H new ATOM 0 HA HIS B 99 5.874 4.707 -3.472 1.00 0.31 H new ATOM 0 HB2 HIS B 99 4.025 4.800 -1.429 1.00 0.38 H new ATOM 0 HB3 HIS B 99 4.559 6.468 -1.492 1.00 0.38 H new ATOM 0 HD1 HIS B 99 2.797 3.827 -3.535 1.00 0.68 H new ATOM 0 HD2 HIS B 99 3.749 7.901 -3.764 1.00 0.71 H new ATOM 0 HE1 HIS B 99 1.463 4.774 -5.476 1.00 0.81 H new ATOM 3012 N LEU B 100 6.823 7.151 -3.331 1.00 0.31 N ATOM 3013 CA LEU B 100 7.713 8.301 -3.346 1.00 0.32 C ATOM 3014 C LEU B 100 6.917 9.594 -3.506 1.00 0.32 C ATOM 3015 O LEU B 100 6.129 9.737 -4.442 1.00 0.40 O ATOM 3016 CB LEU B 100 8.724 8.153 -4.486 1.00 0.37 C ATOM 3017 CG LEU B 100 9.885 9.149 -4.472 1.00 0.50 C ATOM 3018 CD1 LEU B 100 11.200 8.422 -4.697 1.00 0.85 C ATOM 3019 CD2 LEU B 100 9.686 10.218 -5.538 1.00 0.91 C ATOM 0 H LEU B 100 6.177 7.107 -4.119 1.00 0.31 H new ATOM 0 HA LEU B 100 8.248 8.347 -2.397 1.00 0.32 H new ATOM 0 HB2 LEU B 100 9.134 7.144 -4.455 1.00 0.37 H new ATOM 0 HB3 LEU B 100 8.194 8.253 -5.433 1.00 0.37 H new ATOM 0 HG LEU B 100 9.912 9.635 -3.497 1.00 0.50 H new ATOM 0 HD11 LEU B 100 12.020 9.140 -4.685 1.00 0.85 H new ATOM 0 HD12 LEU B 100 11.350 7.688 -3.906 1.00 0.85 H new ATOM 0 HD13 LEU B 100 11.175 7.916 -5.662 1.00 0.85 H new ATOM 0 HD21 LEU B 100 10.522 10.917 -5.513 1.00 0.91 H new ATOM 0 HD22 LEU B 100 9.636 9.748 -6.520 1.00 0.91 H new ATOM 0 HD23 LEU B 100 8.757 10.755 -5.345 1.00 0.91 H new ATOM 3031 N VAL B 101 7.108 10.524 -2.577 1.00 0.30 N ATOM 3032 CA VAL B 101 6.413 11.809 -2.626 1.00 0.32 C ATOM 3033 C VAL B 101 7.406 12.954 -2.473 1.00 0.33 C ATOM 3034 O VAL B 101 8.578 12.729 -2.159 1.00 0.38 O ATOM 3035 CB VAL B 101 5.321 11.930 -1.540 1.00 0.39 C ATOM 3036 CG1 VAL B 101 4.230 10.895 -1.761 1.00 0.50 C ATOM 3037 CG2 VAL B 101 5.921 11.796 -0.150 1.00 0.52 C ATOM 0 H VAL B 101 7.737 10.414 -1.781 1.00 0.30 H new ATOM 0 HA VAL B 101 5.924 11.866 -3.599 1.00 0.32 H new ATOM 0 HB VAL B 101 4.872 12.920 -1.617 1.00 0.39 H new ATOM 0 HG11 VAL B 101 3.470 10.996 -0.986 1.00 0.50 H new ATOM 0 HG12 VAL B 101 3.774 11.050 -2.739 1.00 0.50 H new ATOM 0 HG13 VAL B 101 4.662 9.895 -1.717 1.00 0.50 H new ATOM 0 HG21 VAL B 101 5.132 11.885 0.597 1.00 0.52 H new ATOM 0 HG22 VAL B 101 6.404 10.823 -0.054 1.00 0.52 H new ATOM 0 HG23 VAL B 101 6.658 12.584 0.006 1.00 0.52 H new ATOM 3047 N ILE B 102 6.936 14.178 -2.682 1.00 0.36 N ATOM 3048 CA ILE B 102 7.797 15.351 -2.584 1.00 0.41 C ATOM 3049 C ILE B 102 7.311 16.291 -1.483 1.00 0.51 C ATOM 3050 O ILE B 102 6.734 17.350 -1.755 1.00 0.79 O ATOM 3051 CB ILE B 102 7.867 16.122 -3.927 1.00 0.52 C ATOM 3052 CG1 ILE B 102 8.125 15.164 -5.098 1.00 0.71 C ATOM 3053 CG2 ILE B 102 8.948 17.196 -3.880 1.00 0.76 C ATOM 3054 CD1 ILE B 102 9.482 14.488 -5.055 1.00 1.32 C ATOM 0 H ILE B 102 5.966 14.384 -2.920 1.00 0.36 H new ATOM 0 HA ILE B 102 8.797 14.994 -2.338 1.00 0.41 H new ATOM 0 HB ILE B 102 6.903 16.605 -4.083 1.00 0.52 H new ATOM 0 HG12 ILE B 102 7.349 14.398 -5.105 1.00 0.71 H new ATOM 0 HG13 ILE B 102 8.036 15.717 -6.033 1.00 0.71 H new ATOM 0 HG21 ILE B 102 8.978 17.724 -4.833 1.00 0.76 H new ATOM 0 HG22 ILE B 102 8.724 17.903 -3.081 1.00 0.76 H new ATOM 0 HG23 ILE B 102 9.915 16.730 -3.692 1.00 0.76 H new ATOM 0 HD11 ILE B 102 9.587 13.828 -5.916 1.00 1.32 H new ATOM 0 HD12 ILE B 102 10.266 15.245 -5.080 1.00 1.32 H new ATOM 0 HD13 ILE B 102 9.569 13.905 -4.138 1.00 1.32 H new ATOM 3066 N LYS B 103 7.515 15.883 -0.237 1.00 0.59 N ATOM 3067 CA LYS B 103 7.117 16.687 0.914 1.00 0.76 C ATOM 3068 C LYS B 103 8.177 16.610 2.009 1.00 0.91 C ATOM 3069 O LYS B 103 7.966 15.874 2.998 1.00 1.07 O ATOM 3070 CB LYS B 103 5.759 16.225 1.462 1.00 0.86 C ATOM 3071 CG LYS B 103 4.584 16.532 0.541 1.00 1.00 C ATOM 3072 CD LYS B 103 4.360 18.032 0.395 1.00 1.15 C ATOM 3073 CE LYS B 103 3.477 18.353 -0.802 1.00 1.32 C ATOM 3074 NZ LYS B 103 4.017 17.776 -2.064 1.00 1.74 N ATOM 3075 OXT LYS B 103 9.225 17.273 1.872 1.00 1.20 O ATOM 0 H LYS B 103 7.956 14.995 0.004 1.00 0.59 H new ATOM 0 HA LYS B 103 7.022 17.722 0.586 1.00 0.76 H new ATOM 0 HB2 LYS B 103 5.797 15.150 1.640 1.00 0.86 H new ATOM 0 HB3 LYS B 103 5.586 16.702 2.427 1.00 0.86 H new ATOM 0 HG2 LYS B 103 4.767 16.094 -0.440 1.00 1.00 H new ATOM 0 HG3 LYS B 103 3.681 16.066 0.935 1.00 1.00 H new ATOM 0 HD2 LYS B 103 3.899 18.422 1.303 1.00 1.15 H new ATOM 0 HD3 LYS B 103 5.321 18.535 0.284 1.00 1.15 H new ATOM 0 HE2 LYS B 103 2.473 17.966 -0.626 1.00 1.32 H new ATOM 0 HE3 LYS B 103 3.387 19.434 -0.907 1.00 1.32 H new ATOM 0 HZ1 LYS B 103 3.743 18.378 -2.866 1.00 1.74 H new ATOM 0 HZ2 LYS B 103 5.054 17.726 -2.007 1.00 1.74 H new ATOM 0 HZ3 LYS B 103 3.631 16.820 -2.201 1.00 1.74 H new