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 -90:sc= 1.15 USER MOD Set 1.2: B 69 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 22 TYR OH : rot 130:sc= 0.808 USER MOD Set 2.2: A 62 LYS NZ :NH3+ 167:sc= 0.926 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 173:sc= 2.42 (180deg=2.35) USER MOD Single : A 31 MET CE :methyl 180:sc=-0.00838 (180deg=-0.00838) 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 -44:sc= 0.0537 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -150:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 164:sc=-0.00506 (180deg=-0.145) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= -0.0416 USER MOD Single : A 50 GLN : amide:sc= -0.0265 K(o=-0.026,f=-1.3!) USER MOD Single : A 51 GLN : amide:sc= 0.101 K(o=0.1,f=-0.59) USER MOD Single : A 52 THR OG1 : rot 64:sc= 1.39 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HE2:sc= 1.05 K(o=1,f=-4.9!) USER MOD Single : A 60 CYS SG : rot -95:sc= 1.23 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0.0173 USER MOD Single : A 68 ASN : amide:sc= -0.0613 K(o=-0.061,f=-0.68) USER MOD Single : A 80 CYS SG : rot 84:sc= -3.25! USER MOD Single : A 83 LYS NZ :NH3+ -154:sc= 1.25 (180deg=1.07) USER MOD Single : A 87 GLN : amide:sc=-0.00749 K(o=-0.0075,f=-1.2!) USER MOD Single : A 88 CYS SG : rot -160:sc= 0 USER MOD Single : A 90 SER OG : rot -150:sc= -0.255 USER MOD Single : A 94 TYR OH : rot -137:sc= 1.13 USER MOD Single : A 97 LYS NZ :NH3+ -166:sc= -0.0115 (180deg=-0.156) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0394) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= 1.72 K(o=1.7,f=-7.9!) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.0505 USER MOD Single : A 116 GLN : amide:sc= -0.516 K(o=-0.52,f=0.011) USER MOD Single : A 120 HIS : no HD1:sc= -0.698 K(o=-0.7,f=-1.5) USER MOD Single : A 121 CYS SG : rot 52:sc= 0.935 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 ASN : amide:sc= 1.49 K(o=1.5,f=-5.8!) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 ASN : amide:sc= 0.13 K(o=0.13,f=-4.3!) 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+ 150:sc= 0.933 (180deg=-1.68) USER MOD Single : B 36 THR OG1 : rot 180:sc= -0.0228 USER MOD Single : B 38 LYS NZ :NH3+ -160:sc= 1.87 (180deg=1.37) USER MOD Single : B 39 THR OG1 : rot 180:sc= 0 USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 51 ASN : amide:sc= -0.65! C(o=-0.65!,f=-4.7!) USER MOD Single : B 52 SER OG : rot -160:sc= 0 USER MOD Single : B 53 SER OG : rot 180:sc= 0 USER MOD Single : B 55 GLN : amide:sc= -0.0125 K(o=-0.012,f=-0.99) USER MOD Single : B 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 58 LYS NZ :NH3+ -150:sc= 1.28 (180deg=1.05) USER MOD Single : B 63 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0453) USER MOD Single : B 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 67 SER OG : rot 180:sc= 0 USER MOD Single : B 68 GLN : amide:sc= -0.146 K(o=-0.15,f=-2) USER MOD Single : B 71 GLN : amide:sc= 1.04 K(o=1,f=0) USER MOD Single : B 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 84 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : B 86 THR OG1 : rot 180:sc= 0 USER MOD Single : B 89 GLN : amide:sc=-0.00465 X(o=-0.0046,f=0) USER MOD Single : B 90 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : B 93 HIS : no HD1:sc= -0.011 X(o=-0.011,f=0) USER MOD Single : B 97 THR OG1 : rot 75:sc= 1.24 USER MOD Single : B 99 HIS : no HE2:sc= -1.21 K(o=0.41,f=-7.8!) USER MOD Single : B 103 LYS NZ :NH3+ 166:sc= 0.00161 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 21 -11.744 21.459 7.925 1.00 0.79 N ATOM 2 CA LYS A 21 -12.967 20.649 8.133 1.00 0.63 C ATOM 3 C LYS A 21 -12.797 19.254 7.540 1.00 0.53 C ATOM 4 O LYS A 21 -11.750 18.934 6.984 1.00 0.61 O ATOM 5 CB LYS A 21 -14.186 21.342 7.509 1.00 0.62 C ATOM 6 CG LYS A 21 -14.097 21.511 6.000 1.00 0.66 C ATOM 7 CD LYS A 21 -15.474 21.646 5.364 1.00 0.77 C ATOM 8 CE LYS A 21 -16.145 22.962 5.729 1.00 0.90 C ATOM 9 NZ LYS A 21 -17.554 23.017 5.247 1.00 1.10 N ATOM 0 HA LYS A 21 -13.131 20.553 9.206 1.00 0.63 H new ATOM 0 HB2 LYS A 21 -15.080 20.766 7.748 1.00 0.62 H new ATOM 0 HB3 LYS A 21 -14.307 22.323 7.968 1.00 0.62 H new ATOM 0 HG2 LYS A 21 -13.501 22.394 5.768 1.00 0.66 H new ATOM 0 HG3 LYS A 21 -13.580 20.654 5.568 1.00 0.66 H new ATOM 0 HD2 LYS A 21 -15.381 21.575 4.280 1.00 0.77 H new ATOM 0 HD3 LYS A 21 -16.104 20.817 5.685 1.00 0.77 H new ATOM 0 HE2 LYS A 21 -16.126 23.092 6.811 1.00 0.90 H new ATOM 0 HE3 LYS A 21 -15.581 23.789 5.298 1.00 0.90 H new ATOM 0 HZ1 LYS A 21 -17.977 23.928 5.515 1.00 1.10 H new ATOM 0 HZ2 LYS A 21 -17.571 22.918 4.212 1.00 1.10 H new ATOM 0 HZ3 LYS A 21 -18.099 22.243 5.678 1.00 1.10 H new ATOM 23 N TYR A 22 -13.824 18.422 7.669 1.00 0.49 N ATOM 24 CA TYR A 22 -13.774 17.068 7.131 1.00 0.49 C ATOM 25 C TYR A 22 -14.330 17.053 5.710 1.00 0.47 C ATOM 26 O TYR A 22 -15.470 17.465 5.480 1.00 0.57 O ATOM 27 CB TYR A 22 -14.583 16.099 8.000 1.00 0.56 C ATOM 28 CG TYR A 22 -14.281 16.150 9.487 1.00 0.55 C ATOM 29 CD1 TYR A 22 -13.033 16.530 9.970 1.00 0.56 C ATOM 30 CD2 TYR A 22 -15.256 15.796 10.411 1.00 0.61 C ATOM 31 CE1 TYR A 22 -12.769 16.558 11.327 1.00 0.60 C ATOM 32 CE2 TYR A 22 -15.001 15.824 11.768 1.00 0.67 C ATOM 33 CZ TYR A 22 -13.756 16.205 12.222 1.00 0.65 C ATOM 34 OH TYR A 22 -13.493 16.238 13.574 1.00 0.75 O ATOM 0 H TYR A 22 -14.697 18.660 8.139 1.00 0.49 H new ATOM 0 HA TYR A 22 -12.733 16.746 7.126 1.00 0.49 H new ATOM 0 HB2 TYR A 22 -15.643 16.306 7.855 1.00 0.56 H new ATOM 0 HB3 TYR A 22 -14.405 15.084 7.645 1.00 0.56 H new ATOM 0 HD1 TYR A 22 -12.257 16.808 9.273 1.00 0.56 H new ATOM 0 HD2 TYR A 22 -16.232 15.493 10.062 1.00 0.61 H new ATOM 0 HE1 TYR A 22 -11.794 16.855 11.684 1.00 0.60 H new ATOM 0 HE2 TYR A 22 -15.774 15.549 12.471 1.00 0.67 H new ATOM 0 HH TYR A 22 -14.201 16.737 14.033 1.00 0.75 H new ATOM 44 N LEU A 23 -13.528 16.597 4.761 1.00 0.41 N ATOM 45 CA LEU A 23 -13.959 16.532 3.372 1.00 0.43 C ATOM 46 C LEU A 23 -14.960 15.395 3.195 1.00 0.43 C ATOM 47 O LEU A 23 -16.103 15.607 2.792 1.00 0.52 O ATOM 48 CB LEU A 23 -12.752 16.336 2.453 1.00 0.45 C ATOM 49 CG LEU A 23 -11.776 17.518 2.391 1.00 0.54 C ATOM 50 CD1 LEU A 23 -10.488 17.112 1.686 1.00 0.64 C ATOM 51 CD2 LEU A 23 -12.418 18.702 1.687 1.00 0.70 C ATOM 0 H LEU A 23 -12.577 16.267 4.926 1.00 0.41 H new ATOM 0 HA LEU A 23 -14.444 17.470 3.103 1.00 0.43 H new ATOM 0 HB2 LEU A 23 -12.206 15.452 2.782 1.00 0.45 H new ATOM 0 HB3 LEU A 23 -13.113 16.131 1.445 1.00 0.45 H new ATOM 0 HG LEU A 23 -11.531 17.815 3.411 1.00 0.54 H new ATOM 0 HD11 LEU A 23 -9.808 17.963 1.652 1.00 0.64 H new ATOM 0 HD12 LEU A 23 -10.017 16.294 2.231 1.00 0.64 H new ATOM 0 HD13 LEU A 23 -10.716 16.788 0.670 1.00 0.64 H new ATOM 0 HD21 LEU A 23 -11.712 19.531 1.652 1.00 0.70 H new ATOM 0 HD22 LEU A 23 -12.693 18.416 0.672 1.00 0.70 H new ATOM 0 HD23 LEU A 23 -13.311 19.009 2.232 1.00 0.70 H new ATOM 63 N VAL A 24 -14.522 14.188 3.515 1.00 0.42 N ATOM 64 CA VAL A 24 -15.371 13.010 3.424 1.00 0.46 C ATOM 65 C VAL A 24 -15.572 12.440 4.821 1.00 0.43 C ATOM 66 O VAL A 24 -14.619 12.362 5.602 1.00 0.44 O ATOM 67 CB VAL A 24 -14.766 11.926 2.504 1.00 0.54 C ATOM 68 CG1 VAL A 24 -15.730 10.761 2.330 1.00 0.70 C ATOM 69 CG2 VAL A 24 -14.404 12.516 1.151 1.00 0.76 C ATOM 0 H VAL A 24 -13.575 13.997 3.843 1.00 0.42 H new ATOM 0 HA VAL A 24 -16.324 13.311 2.989 1.00 0.46 H new ATOM 0 HB VAL A 24 -13.858 11.552 2.976 1.00 0.54 H new ATOM 0 HG11 VAL A 24 -15.281 10.011 1.678 1.00 0.70 H new ATOM 0 HG12 VAL A 24 -15.942 10.316 3.302 1.00 0.70 H new ATOM 0 HG13 VAL A 24 -16.658 11.120 1.885 1.00 0.70 H new ATOM 0 HG21 VAL A 24 -13.979 11.738 0.517 1.00 0.76 H new ATOM 0 HG22 VAL A 24 -15.299 12.920 0.679 1.00 0.76 H new ATOM 0 HG23 VAL A 24 -13.673 13.313 1.286 1.00 0.76 H new ATOM 79 N GLU A 25 -16.801 12.069 5.141 1.00 0.45 N ATOM 80 CA GLU A 25 -17.115 11.527 6.454 1.00 0.45 C ATOM 81 C GLU A 25 -18.346 10.629 6.399 1.00 0.47 C ATOM 82 O GLU A 25 -19.309 10.920 5.690 1.00 0.55 O ATOM 83 CB GLU A 25 -17.350 12.663 7.455 1.00 0.49 C ATOM 84 CG GLU A 25 -18.198 13.795 6.898 1.00 0.56 C ATOM 85 CD GLU A 25 -19.180 14.339 7.909 1.00 0.69 C ATOM 86 OE1 GLU A 25 -18.780 15.182 8.737 1.00 0.95 O ATOM 87 OE2 GLU A 25 -20.361 13.929 7.882 1.00 0.96 O ATOM 0 H GLU A 25 -17.599 12.133 4.509 1.00 0.45 H new ATOM 0 HA GLU A 25 -16.265 10.928 6.780 1.00 0.45 H new ATOM 0 HB2 GLU A 25 -17.835 12.259 8.344 1.00 0.49 H new ATOM 0 HB3 GLU A 25 -16.387 13.063 7.772 1.00 0.49 H new ATOM 0 HG2 GLU A 25 -17.546 14.601 6.561 1.00 0.56 H new ATOM 0 HG3 GLU A 25 -18.743 13.439 6.023 1.00 0.56 H new ATOM 94 N PHE A 26 -18.295 9.529 7.138 1.00 0.43 N ATOM 95 CA PHE A 26 -19.404 8.587 7.206 1.00 0.46 C ATOM 96 C PHE A 26 -19.264 7.693 8.429 1.00 0.45 C ATOM 97 O PHE A 26 -18.170 7.547 8.976 1.00 0.44 O ATOM 98 CB PHE A 26 -19.499 7.737 5.931 1.00 0.47 C ATOM 99 CG PHE A 26 -18.273 6.920 5.622 1.00 0.46 C ATOM 100 CD1 PHE A 26 -17.245 7.446 4.858 1.00 0.51 C ATOM 101 CD2 PHE A 26 -18.161 5.616 6.078 1.00 0.48 C ATOM 102 CE1 PHE A 26 -16.126 6.691 4.561 1.00 0.55 C ATOM 103 CE2 PHE A 26 -17.047 4.856 5.781 1.00 0.49 C ATOM 104 CZ PHE A 26 -16.029 5.394 5.021 1.00 0.51 C ATOM 0 H PHE A 26 -17.489 9.265 7.704 1.00 0.43 H new ATOM 0 HA PHE A 26 -20.326 9.163 7.291 1.00 0.46 H new ATOM 0 HB2 PHE A 26 -20.352 7.065 6.022 1.00 0.47 H new ATOM 0 HB3 PHE A 26 -19.701 8.396 5.087 1.00 0.47 H new ATOM 0 HD1 PHE A 26 -17.318 8.459 4.490 1.00 0.51 H new ATOM 0 HD2 PHE A 26 -18.955 5.189 6.673 1.00 0.48 H new ATOM 0 HE1 PHE A 26 -15.329 7.116 3.970 1.00 0.55 H new ATOM 0 HE2 PHE A 26 -16.973 3.841 6.143 1.00 0.49 H new ATOM 0 HZ PHE A 26 -15.158 4.801 4.787 1.00 0.51 H new ATOM 114 N ARG A 27 -20.369 7.105 8.856 1.00 0.47 N ATOM 115 CA ARG A 27 -20.370 6.231 10.021 1.00 0.47 C ATOM 116 C ARG A 27 -19.988 4.805 9.637 1.00 0.45 C ATOM 117 O ARG A 27 -20.624 4.188 8.778 1.00 0.46 O ATOM 118 CB ARG A 27 -21.744 6.251 10.689 1.00 0.51 C ATOM 119 CG ARG A 27 -22.062 7.571 11.370 1.00 0.55 C ATOM 120 CD ARG A 27 -23.559 7.753 11.562 1.00 0.61 C ATOM 121 NE ARG A 27 -24.247 8.024 10.301 1.00 0.62 N ATOM 122 CZ ARG A 27 -25.468 8.547 10.222 1.00 0.73 C ATOM 123 NH1 ARG A 27 -26.133 8.860 11.326 1.00 0.84 N ATOM 124 NH2 ARG A 27 -26.030 8.744 9.034 1.00 0.77 N ATOM 0 H ARG A 27 -21.281 7.217 8.413 1.00 0.47 H new ATOM 0 HA ARG A 27 -19.626 6.600 10.727 1.00 0.47 H new ATOM 0 HB2 ARG A 27 -22.508 6.044 9.939 1.00 0.51 H new ATOM 0 HB3 ARG A 27 -21.794 5.449 11.425 1.00 0.51 H new ATOM 0 HG2 ARG A 27 -21.562 7.612 12.338 1.00 0.55 H new ATOM 0 HG3 ARG A 27 -21.668 8.394 10.773 1.00 0.55 H new ATOM 0 HD2 ARG A 27 -23.977 6.855 12.017 1.00 0.61 H new ATOM 0 HD3 ARG A 27 -23.738 8.575 12.256 1.00 0.61 H new ATOM 0 HE ARG A 27 -23.763 7.799 9.432 1.00 0.62 H new ATOM 0 HH11 ARG A 27 -25.709 8.700 12.240 1.00 0.84 H new ATOM 0 HH12 ARG A 27 -27.069 9.261 11.261 1.00 0.84 H new ATOM 0 HH21 ARG A 27 -25.525 8.494 8.183 1.00 0.77 H new ATOM 0 HH22 ARG A 27 -26.966 9.145 8.973 1.00 0.77 H new ATOM 138 N ALA A 28 -18.949 4.287 10.280 1.00 0.44 N ATOM 139 CA ALA A 28 -18.471 2.938 10.016 1.00 0.43 C ATOM 140 C ALA A 28 -17.650 2.420 11.190 1.00 0.42 C ATOM 141 O ALA A 28 -16.915 3.176 11.830 1.00 0.44 O ATOM 142 CB ALA A 28 -17.648 2.902 8.739 1.00 0.42 C ATOM 0 H ALA A 28 -18.418 4.787 10.994 1.00 0.44 H new ATOM 0 HA ALA A 28 -19.337 2.289 9.887 1.00 0.43 H new ATOM 0 HB1 ALA A 28 -17.300 1.885 8.559 1.00 0.42 H new ATOM 0 HB2 ALA A 28 -18.263 3.229 7.900 1.00 0.42 H new ATOM 0 HB3 ALA A 28 -16.790 3.567 8.840 1.00 0.42 H new ATOM 148 N GLY A 29 -17.789 1.135 11.477 1.00 0.43 N ATOM 149 CA GLY A 29 -17.053 0.534 12.566 1.00 0.43 C ATOM 150 C GLY A 29 -15.736 -0.043 12.095 1.00 0.41 C ATOM 151 O GLY A 29 -15.627 -0.503 10.959 1.00 0.46 O ATOM 0 H GLY A 29 -18.402 0.496 10.971 1.00 0.43 H new ATOM 0 HA2 GLY A 29 -16.869 1.281 13.338 1.00 0.43 H new ATOM 0 HA3 GLY A 29 -17.654 -0.253 13.022 1.00 0.43 H new ATOM 155 N LYS A 30 -14.739 -0.017 12.961 1.00 0.42 N ATOM 156 CA LYS A 30 -13.423 -0.535 12.621 1.00 0.42 C ATOM 157 C LYS A 30 -13.297 -2.006 12.999 1.00 0.41 C ATOM 158 O LYS A 30 -14.107 -2.538 13.757 1.00 0.45 O ATOM 159 CB LYS A 30 -12.337 0.274 13.334 1.00 0.48 C ATOM 160 CG LYS A 30 -12.404 0.186 14.853 1.00 0.54 C ATOM 161 CD LYS A 30 -11.311 1.009 15.515 1.00 0.67 C ATOM 162 CE LYS A 30 -9.984 0.269 15.552 1.00 0.70 C ATOM 163 NZ LYS A 30 -8.886 1.137 16.053 1.00 0.60 N ATOM 0 H LYS A 30 -14.814 0.358 13.907 1.00 0.42 H new ATOM 0 HA LYS A 30 -13.295 -0.443 11.542 1.00 0.42 H new ATOM 0 HB2 LYS A 30 -11.359 -0.075 13.002 1.00 0.48 H new ATOM 0 HB3 LYS A 30 -12.420 1.319 13.036 1.00 0.48 H new ATOM 0 HG2 LYS A 30 -13.379 0.534 15.195 1.00 0.54 H new ATOM 0 HG3 LYS A 30 -12.312 -0.855 15.161 1.00 0.54 H new ATOM 0 HD2 LYS A 30 -11.187 1.948 14.976 1.00 0.67 H new ATOM 0 HD3 LYS A 30 -11.613 1.262 16.531 1.00 0.67 H new ATOM 0 HE2 LYS A 30 -10.074 -0.609 16.191 1.00 0.70 H new ATOM 0 HE3 LYS A 30 -9.738 -0.088 14.552 1.00 0.70 H new ATOM 0 HZ1 LYS A 30 -8.024 0.569 16.177 1.00 0.60 H new ATOM 0 HZ2 LYS A 30 -8.704 1.897 15.367 1.00 0.60 H new ATOM 0 HZ3 LYS A 30 -9.161 1.553 16.966 1.00 0.60 H new ATOM 177 N MET A 31 -12.284 -2.656 12.450 1.00 0.43 N ATOM 178 CA MET A 31 -12.026 -4.055 12.742 1.00 0.44 C ATOM 179 C MET A 31 -10.582 -4.216 13.190 1.00 0.46 C ATOM 180 O MET A 31 -9.661 -3.730 12.528 1.00 0.55 O ATOM 181 CB MET A 31 -12.304 -4.932 11.520 1.00 0.46 C ATOM 182 CG MET A 31 -13.715 -4.796 10.968 1.00 0.47 C ATOM 183 SD MET A 31 -14.192 -6.183 9.920 1.00 0.54 S ATOM 184 CE MET A 31 -15.724 -5.568 9.230 1.00 0.61 C ATOM 0 H MET A 31 -11.624 -2.234 11.797 1.00 0.43 H new ATOM 0 HA MET A 31 -12.694 -4.377 13.541 1.00 0.44 H new ATOM 0 HB2 MET A 31 -11.592 -4.679 10.735 1.00 0.46 H new ATOM 0 HB3 MET A 31 -12.128 -5.974 11.786 1.00 0.46 H new ATOM 0 HG2 MET A 31 -14.418 -4.714 11.797 1.00 0.47 H new ATOM 0 HG3 MET A 31 -13.789 -3.872 10.395 1.00 0.47 H new ATOM 0 HE1 MET A 31 -16.145 -6.315 8.557 1.00 0.61 H new ATOM 0 HE2 MET A 31 -16.430 -5.365 10.035 1.00 0.61 H new ATOM 0 HE3 MET A 31 -15.531 -4.649 8.677 1.00 0.61 H new ATOM 194 N SER A 32 -10.386 -4.877 14.317 1.00 0.49 N ATOM 195 CA SER A 32 -9.055 -5.077 14.857 1.00 0.52 C ATOM 196 C SER A 32 -8.586 -6.513 14.649 1.00 0.52 C ATOM 197 O SER A 32 -9.373 -7.459 14.739 1.00 0.54 O ATOM 198 CB SER A 32 -9.046 -4.719 16.345 1.00 0.59 C ATOM 199 OG SER A 32 -9.715 -3.486 16.570 1.00 0.93 O ATOM 0 H SER A 32 -11.135 -5.285 14.877 1.00 0.49 H new ATOM 0 HA SER A 32 -8.362 -4.424 14.326 1.00 0.52 H new ATOM 0 HB2 SER A 32 -9.530 -5.510 16.917 1.00 0.59 H new ATOM 0 HB3 SER A 32 -8.018 -4.651 16.701 1.00 0.59 H new ATOM 0 HG SER A 32 -9.700 -3.276 17.527 1.00 0.93 H new ATOM 205 N LEU A 33 -7.301 -6.671 14.358 1.00 0.54 N ATOM 206 CA LEU A 33 -6.721 -7.985 14.145 1.00 0.56 C ATOM 207 C LEU A 33 -6.250 -8.566 15.474 1.00 0.58 C ATOM 208 O LEU A 33 -5.166 -8.239 15.962 1.00 0.63 O ATOM 209 CB LEU A 33 -5.555 -7.904 13.151 1.00 0.58 C ATOM 210 CG LEU A 33 -4.898 -9.241 12.799 1.00 0.61 C ATOM 211 CD1 LEU A 33 -5.849 -10.121 12.005 1.00 0.62 C ATOM 212 CD2 LEU A 33 -3.608 -9.010 12.025 1.00 0.67 C ATOM 0 H LEU A 33 -6.640 -5.900 14.264 1.00 0.54 H new ATOM 0 HA LEU A 33 -7.483 -8.641 13.724 1.00 0.56 H new ATOM 0 HB2 LEU A 33 -5.915 -7.442 12.232 1.00 0.58 H new ATOM 0 HB3 LEU A 33 -4.794 -7.242 13.563 1.00 0.58 H new ATOM 0 HG LEU A 33 -4.657 -9.758 13.728 1.00 0.61 H new ATOM 0 HD11 LEU A 33 -5.358 -11.065 11.767 1.00 0.62 H new ATOM 0 HD12 LEU A 33 -6.744 -10.316 12.596 1.00 0.62 H new ATOM 0 HD13 LEU A 33 -6.128 -9.614 11.081 1.00 0.62 H new ATOM 0 HD21 LEU A 33 -3.153 -9.970 11.782 1.00 0.67 H new ATOM 0 HD22 LEU A 33 -3.828 -8.469 11.104 1.00 0.67 H new ATOM 0 HD23 LEU A 33 -2.918 -8.425 12.633 1.00 0.67 H new ATOM 224 N LYS A 34 -7.080 -9.409 16.065 1.00 0.59 N ATOM 225 CA LYS A 34 -6.757 -10.030 17.337 1.00 0.63 C ATOM 226 C LYS A 34 -6.086 -11.376 17.110 1.00 0.65 C ATOM 227 O LYS A 34 -6.745 -12.370 16.789 1.00 0.68 O ATOM 228 CB LYS A 34 -8.018 -10.192 18.186 1.00 0.66 C ATOM 229 CG LYS A 34 -8.643 -8.862 18.576 1.00 0.68 C ATOM 230 CD LYS A 34 -9.785 -9.050 19.560 1.00 0.76 C ATOM 231 CE LYS A 34 -10.354 -7.713 20.012 1.00 0.84 C ATOM 232 NZ LYS A 34 -11.256 -7.861 21.185 1.00 1.01 N ATOM 0 H LYS A 34 -7.986 -9.679 15.682 1.00 0.59 H new ATOM 0 HA LYS A 34 -6.063 -9.385 17.875 1.00 0.63 H new ATOM 0 HB2 LYS A 34 -8.749 -10.783 17.634 1.00 0.66 H new ATOM 0 HB3 LYS A 34 -7.773 -10.751 19.089 1.00 0.66 H new ATOM 0 HG2 LYS A 34 -7.883 -8.218 19.018 1.00 0.68 H new ATOM 0 HG3 LYS A 34 -9.010 -8.356 17.683 1.00 0.68 H new ATOM 0 HD2 LYS A 34 -10.572 -9.644 19.097 1.00 0.76 H new ATOM 0 HD3 LYS A 34 -9.432 -9.609 20.427 1.00 0.76 H new ATOM 0 HE2 LYS A 34 -9.537 -7.038 20.266 1.00 0.84 H new ATOM 0 HE3 LYS A 34 -10.902 -7.255 19.189 1.00 0.84 H new ATOM 0 HZ1 LYS A 34 -11.622 -6.928 21.461 1.00 1.01 H new ATOM 0 HZ2 LYS A 34 -12.050 -8.485 20.936 1.00 1.01 H new ATOM 0 HZ3 LYS A 34 -10.727 -8.274 21.979 1.00 1.01 H new ATOM 246 N GLY A 35 -4.769 -11.389 17.251 1.00 0.66 N ATOM 247 CA GLY A 35 -4.006 -12.602 17.055 1.00 0.70 C ATOM 248 C GLY A 35 -3.834 -12.921 15.587 1.00 0.70 C ATOM 249 O GLY A 35 -2.781 -12.665 15.005 1.00 0.75 O ATOM 0 H GLY A 35 -4.211 -10.572 17.500 1.00 0.66 H new ATOM 0 HA2 GLY A 35 -3.027 -12.496 17.522 1.00 0.70 H new ATOM 0 HA3 GLY A 35 -4.508 -13.432 17.552 1.00 0.70 H new ATOM 253 N THR A 36 -4.872 -13.480 14.992 1.00 0.68 N ATOM 254 CA THR A 36 -4.846 -13.824 13.583 1.00 0.70 C ATOM 255 C THR A 36 -6.251 -13.718 12.985 1.00 0.68 C ATOM 256 O THR A 36 -6.470 -14.007 11.804 1.00 0.72 O ATOM 257 CB THR A 36 -4.270 -15.248 13.377 1.00 0.75 C ATOM 258 OG1 THR A 36 -3.817 -15.410 12.027 1.00 0.82 O ATOM 259 CG2 THR A 36 -5.297 -16.326 13.710 1.00 0.77 C ATOM 0 H THR A 36 -5.747 -13.706 15.465 1.00 0.68 H new ATOM 0 HA THR A 36 -4.196 -13.118 13.067 1.00 0.70 H new ATOM 0 HB THR A 36 -3.428 -15.363 14.060 1.00 0.75 H new ATOM 0 HG1 THR A 36 -4.479 -15.030 11.412 1.00 0.82 H new ATOM 0 HG21 THR A 36 -4.855 -17.310 13.553 1.00 0.77 H new ATOM 0 HG22 THR A 36 -5.603 -16.228 14.751 1.00 0.77 H new ATOM 0 HG23 THR A 36 -6.167 -16.212 13.064 1.00 0.77 H new ATOM 267 N THR A 37 -7.198 -13.274 13.803 1.00 0.66 N ATOM 268 CA THR A 37 -8.576 -13.130 13.374 1.00 0.66 C ATOM 269 C THR A 37 -9.005 -11.666 13.415 1.00 0.61 C ATOM 270 O THR A 37 -8.633 -10.926 14.327 1.00 0.61 O ATOM 271 CB THR A 37 -9.514 -13.973 14.263 1.00 0.71 C ATOM 272 OG1 THR A 37 -9.002 -15.308 14.381 1.00 0.79 O ATOM 273 CG2 THR A 37 -10.924 -14.018 13.693 1.00 0.81 C ATOM 0 H THR A 37 -7.031 -13.007 14.773 1.00 0.66 H new ATOM 0 HA THR A 37 -8.646 -13.488 12.347 1.00 0.66 H new ATOM 0 HB THR A 37 -9.557 -13.505 15.246 1.00 0.71 H new ATOM 0 HG1 THR A 37 -9.600 -15.839 14.948 1.00 0.79 H new ATOM 0 HG21 THR A 37 -11.560 -14.620 14.342 1.00 0.81 H new ATOM 0 HG22 THR A 37 -11.324 -13.006 13.630 1.00 0.81 H new ATOM 0 HG23 THR A 37 -10.900 -14.461 12.697 1.00 0.81 H new ATOM 281 N VAL A 38 -9.769 -11.254 12.413 1.00 0.60 N ATOM 282 CA VAL A 38 -10.258 -9.887 12.330 1.00 0.57 C ATOM 283 C VAL A 38 -11.602 -9.757 13.047 1.00 0.57 C ATOM 284 O VAL A 38 -12.633 -10.229 12.561 1.00 0.64 O ATOM 285 CB VAL A 38 -10.403 -9.435 10.859 1.00 0.57 C ATOM 286 CG1 VAL A 38 -10.892 -7.998 10.776 1.00 0.59 C ATOM 287 CG2 VAL A 38 -9.080 -9.595 10.124 1.00 0.61 C ATOM 0 H VAL A 38 -10.065 -11.852 11.642 1.00 0.60 H new ATOM 0 HA VAL A 38 -9.528 -9.242 12.818 1.00 0.57 H new ATOM 0 HB VAL A 38 -11.147 -10.070 10.379 1.00 0.57 H new ATOM 0 HG11 VAL A 38 -10.985 -7.705 9.730 1.00 0.59 H new ATOM 0 HG12 VAL A 38 -11.863 -7.915 11.264 1.00 0.59 H new ATOM 0 HG13 VAL A 38 -10.179 -7.342 11.274 1.00 0.59 H new ATOM 0 HG21 VAL A 38 -9.197 -9.273 9.089 1.00 0.61 H new ATOM 0 HG22 VAL A 38 -8.318 -8.985 10.610 1.00 0.61 H new ATOM 0 HG23 VAL A 38 -8.776 -10.641 10.146 1.00 0.61 H new ATOM 297 N THR A 39 -11.577 -9.135 14.212 1.00 0.56 N ATOM 298 CA THR A 39 -12.778 -8.943 15.006 1.00 0.58 C ATOM 299 C THR A 39 -13.306 -7.520 14.848 1.00 0.55 C ATOM 300 O THR A 39 -12.599 -6.555 15.153 1.00 0.55 O ATOM 301 CB THR A 39 -12.498 -9.210 16.495 1.00 0.64 C ATOM 302 OG1 THR A 39 -11.457 -10.187 16.625 1.00 0.67 O ATOM 303 CG2 THR A 39 -13.756 -9.698 17.205 1.00 0.74 C ATOM 0 H THR A 39 -10.731 -8.751 14.632 1.00 0.56 H new ATOM 0 HA THR A 39 -13.526 -9.650 14.648 1.00 0.58 H new ATOM 0 HB THR A 39 -12.181 -8.276 16.959 1.00 0.64 H new ATOM 0 HG1 THR A 39 -11.589 -10.697 17.451 1.00 0.67 H new ATOM 0 HG21 THR A 39 -13.533 -9.880 18.256 1.00 0.74 H new ATOM 0 HG22 THR A 39 -14.536 -8.941 17.125 1.00 0.74 H new ATOM 0 HG23 THR A 39 -14.100 -10.623 16.742 1.00 0.74 H new ATOM 311 N PRO A 40 -14.541 -7.364 14.347 1.00 0.55 N ATOM 312 CA PRO A 40 -15.151 -6.051 14.167 1.00 0.54 C ATOM 313 C PRO A 40 -15.552 -5.428 15.497 1.00 0.56 C ATOM 314 O PRO A 40 -16.081 -6.110 16.380 1.00 0.63 O ATOM 315 CB PRO A 40 -16.400 -6.327 13.317 1.00 0.56 C ATOM 316 CG PRO A 40 -16.306 -7.752 12.891 1.00 0.65 C ATOM 317 CD PRO A 40 -15.439 -8.441 13.904 1.00 0.58 C ATOM 0 HA PRO A 40 -14.460 -5.348 13.702 1.00 0.54 H new ATOM 0 HB2 PRO A 40 -17.309 -6.152 13.892 1.00 0.56 H new ATOM 0 HB3 PRO A 40 -16.437 -5.664 12.453 1.00 0.56 H new ATOM 0 HG2 PRO A 40 -17.294 -8.211 12.849 1.00 0.65 H new ATOM 0 HG3 PRO A 40 -15.875 -7.831 11.893 1.00 0.65 H new ATOM 0 HD2 PRO A 40 -16.024 -8.845 14.730 1.00 0.58 H new ATOM 0 HD3 PRO A 40 -14.888 -9.273 13.466 1.00 0.58 H new ATOM 325 N ASP A 41 -15.285 -4.141 15.645 1.00 0.53 N ATOM 326 CA ASP A 41 -15.640 -3.435 16.861 1.00 0.56 C ATOM 327 C ASP A 41 -17.098 -3.013 16.782 1.00 0.58 C ATOM 328 O ASP A 41 -17.566 -2.572 15.729 1.00 0.66 O ATOM 329 CB ASP A 41 -14.740 -2.213 17.064 1.00 0.57 C ATOM 330 CG ASP A 41 -14.593 -1.828 18.524 1.00 0.61 C ATOM 331 OD1 ASP A 41 -15.623 -1.641 19.207 1.00 0.64 O ATOM 332 OD2 ASP A 41 -13.440 -1.698 18.998 1.00 0.68 O ATOM 0 H ASP A 41 -14.825 -3.566 14.939 1.00 0.53 H new ATOM 0 HA ASP A 41 -15.497 -4.098 17.714 1.00 0.56 H new ATOM 0 HB2 ASP A 41 -13.755 -2.420 16.646 1.00 0.57 H new ATOM 0 HB3 ASP A 41 -15.150 -1.369 16.510 1.00 0.57 H new ATOM 337 N LYS A 42 -17.817 -3.159 17.886 1.00 0.61 N ATOM 338 CA LYS A 42 -19.230 -2.807 17.928 1.00 0.64 C ATOM 339 C LYS A 42 -19.413 -1.326 18.232 1.00 0.64 C ATOM 340 O LYS A 42 -20.538 -0.820 18.257 1.00 0.76 O ATOM 341 CB LYS A 42 -19.963 -3.649 18.977 1.00 0.71 C ATOM 342 CG LYS A 42 -19.645 -5.135 18.905 1.00 0.72 C ATOM 343 CD LYS A 42 -20.446 -5.927 19.924 1.00 0.84 C ATOM 344 CE LYS A 42 -19.895 -7.334 20.087 1.00 0.90 C ATOM 345 NZ LYS A 42 -18.593 -7.337 20.805 1.00 1.08 N ATOM 0 H LYS A 42 -17.445 -3.519 18.765 1.00 0.61 H new ATOM 0 HA LYS A 42 -19.656 -3.015 16.946 1.00 0.64 H new ATOM 0 HB2 LYS A 42 -19.706 -3.280 19.970 1.00 0.71 H new ATOM 0 HB3 LYS A 42 -21.037 -3.511 18.854 1.00 0.71 H new ATOM 0 HG2 LYS A 42 -19.861 -5.506 17.903 1.00 0.72 H new ATOM 0 HG3 LYS A 42 -18.580 -5.289 19.079 1.00 0.72 H new ATOM 0 HD2 LYS A 42 -20.426 -5.413 20.885 1.00 0.84 H new ATOM 0 HD3 LYS A 42 -21.489 -5.977 19.611 1.00 0.84 H new ATOM 0 HE2 LYS A 42 -20.613 -7.945 20.634 1.00 0.90 H new ATOM 0 HE3 LYS A 42 -19.770 -7.791 19.106 1.00 0.90 H new ATOM 0 HZ1 LYS A 42 -18.381 -8.300 21.135 1.00 1.08 H new ATOM 0 HZ2 LYS A 42 -17.841 -7.018 20.161 1.00 1.08 H new ATOM 0 HZ3 LYS A 42 -18.645 -6.695 21.621 1.00 1.08 H new ATOM 359 N ARG A 43 -18.310 -0.633 18.468 1.00 0.58 N ATOM 360 CA ARG A 43 -18.355 0.789 18.767 1.00 0.58 C ATOM 361 C ARG A 43 -18.749 1.596 17.542 1.00 0.55 C ATOM 362 O ARG A 43 -18.508 1.183 16.407 1.00 0.55 O ATOM 363 CB ARG A 43 -16.998 1.277 19.249 1.00 0.58 C ATOM 364 CG ARG A 43 -16.764 1.085 20.732 1.00 0.60 C ATOM 365 CD ARG A 43 -15.385 1.570 21.126 1.00 0.60 C ATOM 366 NE ARG A 43 -14.333 0.875 20.387 1.00 0.57 N ATOM 367 CZ ARG A 43 -13.232 1.463 19.920 1.00 0.57 C ATOM 368 NH1 ARG A 43 -13.038 2.761 20.100 1.00 0.62 N ATOM 369 NH2 ARG A 43 -12.328 0.749 19.268 1.00 0.57 N ATOM 0 H ARG A 43 -17.372 -1.033 18.458 1.00 0.58 H new ATOM 0 HA ARG A 43 -19.102 0.931 19.549 1.00 0.58 H new ATOM 0 HB2 ARG A 43 -16.218 0.752 18.698 1.00 0.58 H new ATOM 0 HB3 ARG A 43 -16.899 2.336 19.010 1.00 0.58 H new ATOM 0 HG2 ARG A 43 -17.521 1.629 21.298 1.00 0.60 H new ATOM 0 HG3 ARG A 43 -16.871 0.031 20.988 1.00 0.60 H new ATOM 0 HD2 ARG A 43 -15.311 2.642 20.942 1.00 0.60 H new ATOM 0 HD3 ARG A 43 -15.238 1.419 22.195 1.00 0.60 H new ATOM 0 HE ARG A 43 -14.449 -0.124 20.218 1.00 0.57 H new ATOM 0 HH11 ARG A 43 -13.733 3.316 20.598 1.00 0.62 H new ATOM 0 HH12 ARG A 43 -12.193 3.205 19.740 1.00 0.62 H new ATOM 0 HH21 ARG A 43 -12.475 -0.250 19.123 1.00 0.57 H new ATOM 0 HH22 ARG A 43 -11.485 1.198 18.910 1.00 0.57 H new ATOM 383 N LYS A 44 -19.353 2.743 17.783 1.00 0.57 N ATOM 384 CA LYS A 44 -19.758 3.630 16.710 1.00 0.56 C ATOM 385 C LYS A 44 -18.572 4.488 16.295 1.00 0.53 C ATOM 386 O LYS A 44 -17.950 5.148 17.131 1.00 0.59 O ATOM 387 CB LYS A 44 -20.924 4.506 17.163 1.00 0.62 C ATOM 388 CG LYS A 44 -22.176 3.712 17.488 1.00 0.70 C ATOM 389 CD LYS A 44 -23.212 4.575 18.178 1.00 0.79 C ATOM 390 CE LYS A 44 -24.430 3.762 18.574 1.00 0.93 C ATOM 391 NZ LYS A 44 -25.314 4.506 19.505 1.00 1.07 N ATOM 0 H LYS A 44 -19.575 3.084 18.718 1.00 0.57 H new ATOM 0 HA LYS A 44 -20.089 3.041 15.854 1.00 0.56 H new ATOM 0 HB2 LYS A 44 -20.623 5.074 18.043 1.00 0.62 H new ATOM 0 HB3 LYS A 44 -21.153 5.229 16.380 1.00 0.62 H new ATOM 0 HG2 LYS A 44 -22.596 3.300 16.571 1.00 0.70 H new ATOM 0 HG3 LYS A 44 -21.918 2.868 18.128 1.00 0.70 H new ATOM 0 HD2 LYS A 44 -22.774 5.034 19.065 1.00 0.79 H new ATOM 0 HD3 LYS A 44 -23.513 5.386 17.515 1.00 0.79 H new ATOM 0 HE2 LYS A 44 -24.991 3.490 17.680 1.00 0.93 H new ATOM 0 HE3 LYS A 44 -24.109 2.832 19.044 1.00 0.93 H new ATOM 0 HZ1 LYS A 44 -26.134 3.916 19.751 1.00 1.07 H new ATOM 0 HZ2 LYS A 44 -24.787 4.744 20.369 1.00 1.07 H new ATOM 0 HZ3 LYS A 44 -25.642 5.381 19.048 1.00 1.07 H new ATOM 405 N GLY A 45 -18.255 4.475 15.011 1.00 0.52 N ATOM 406 CA GLY A 45 -17.126 5.240 14.539 1.00 0.51 C ATOM 407 C GLY A 45 -17.455 6.119 13.359 1.00 0.48 C ATOM 408 O GLY A 45 -18.415 5.871 12.626 1.00 0.50 O ATOM 0 H GLY A 45 -18.756 3.952 14.293 1.00 0.52 H new ATOM 0 HA2 GLY A 45 -16.750 5.861 15.353 1.00 0.51 H new ATOM 0 HA3 GLY A 45 -16.323 4.557 14.262 1.00 0.51 H new ATOM 412 N LEU A 46 -16.662 7.159 13.197 1.00 0.46 N ATOM 413 CA LEU A 46 -16.827 8.097 12.108 1.00 0.45 C ATOM 414 C LEU A 46 -15.541 8.178 11.300 1.00 0.41 C ATOM 415 O LEU A 46 -14.520 8.669 11.786 1.00 0.42 O ATOM 416 CB LEU A 46 -17.189 9.482 12.652 1.00 0.47 C ATOM 417 CG LEU A 46 -17.355 10.576 11.593 1.00 0.51 C ATOM 418 CD1 LEU A 46 -18.705 10.453 10.902 1.00 0.56 C ATOM 419 CD2 LEU A 46 -17.201 11.951 12.220 1.00 0.59 C ATOM 0 H LEU A 46 -15.884 7.377 13.819 1.00 0.46 H new ATOM 0 HA LEU A 46 -17.635 7.751 11.463 1.00 0.45 H new ATOM 0 HB2 LEU A 46 -18.118 9.401 13.217 1.00 0.47 H new ATOM 0 HB3 LEU A 46 -16.415 9.793 13.354 1.00 0.47 H new ATOM 0 HG LEU A 46 -16.574 10.449 10.843 1.00 0.51 H new ATOM 0 HD11 LEU A 46 -18.804 11.239 10.153 1.00 0.56 H new ATOM 0 HD12 LEU A 46 -18.778 9.479 10.418 1.00 0.56 H new ATOM 0 HD13 LEU A 46 -19.502 10.552 11.639 1.00 0.56 H new ATOM 0 HD21 LEU A 46 -17.322 12.716 11.453 1.00 0.59 H new ATOM 0 HD22 LEU A 46 -17.960 12.087 12.991 1.00 0.59 H new ATOM 0 HD23 LEU A 46 -16.211 12.038 12.667 1.00 0.59 H new ATOM 431 N VAL A 47 -15.588 7.675 10.082 1.00 0.40 N ATOM 432 CA VAL A 47 -14.432 7.706 9.206 1.00 0.39 C ATOM 433 C VAL A 47 -14.390 9.048 8.492 1.00 0.37 C ATOM 434 O VAL A 47 -15.304 9.381 7.735 1.00 0.40 O ATOM 435 CB VAL A 47 -14.477 6.571 8.161 1.00 0.41 C ATOM 436 CG1 VAL A 47 -13.216 6.573 7.314 1.00 0.57 C ATOM 437 CG2 VAL A 47 -14.663 5.219 8.837 1.00 0.43 C ATOM 0 H VAL A 47 -16.416 7.239 9.675 1.00 0.40 H new ATOM 0 HA VAL A 47 -13.538 7.565 9.814 1.00 0.39 H new ATOM 0 HB VAL A 47 -15.332 6.746 7.508 1.00 0.41 H new ATOM 0 HG11 VAL A 47 -13.267 5.766 6.584 1.00 0.57 H new ATOM 0 HG12 VAL A 47 -13.128 7.527 6.795 1.00 0.57 H new ATOM 0 HG13 VAL A 47 -12.347 6.428 7.955 1.00 0.57 H new ATOM 0 HG21 VAL A 47 -14.692 4.435 8.080 1.00 0.43 H new ATOM 0 HG22 VAL A 47 -13.832 5.036 9.518 1.00 0.43 H new ATOM 0 HG23 VAL A 47 -15.598 5.218 9.397 1.00 0.43 H new ATOM 447 N TYR A 48 -13.345 9.822 8.734 1.00 0.37 N ATOM 448 CA TYR A 48 -13.232 11.131 8.118 1.00 0.37 C ATOM 449 C TYR A 48 -11.873 11.324 7.459 1.00 0.34 C ATOM 450 O TYR A 48 -10.870 10.744 7.882 1.00 0.36 O ATOM 451 CB TYR A 48 -13.485 12.234 9.158 1.00 0.43 C ATOM 452 CG TYR A 48 -12.345 12.464 10.132 1.00 0.44 C ATOM 453 CD1 TYR A 48 -12.145 11.626 11.225 1.00 0.63 C ATOM 454 CD2 TYR A 48 -11.472 13.531 9.961 1.00 0.46 C ATOM 455 CE1 TYR A 48 -11.109 11.847 12.114 1.00 0.73 C ATOM 456 CE2 TYR A 48 -10.437 13.758 10.847 1.00 0.54 C ATOM 457 CZ TYR A 48 -10.259 12.916 11.921 1.00 0.64 C ATOM 458 OH TYR A 48 -9.228 13.144 12.805 1.00 0.78 O ATOM 0 H TYR A 48 -12.570 9.569 9.347 1.00 0.37 H new ATOM 0 HA TYR A 48 -13.991 11.198 7.338 1.00 0.37 H new ATOM 0 HB2 TYR A 48 -13.690 13.167 8.634 1.00 0.43 H new ATOM 0 HB3 TYR A 48 -14.382 11.982 9.724 1.00 0.43 H new ATOM 0 HD1 TYR A 48 -12.810 10.789 11.381 1.00 0.63 H new ATOM 0 HD2 TYR A 48 -11.605 14.195 9.120 1.00 0.46 H new ATOM 0 HE1 TYR A 48 -10.966 11.185 12.956 1.00 0.73 H new ATOM 0 HE2 TYR A 48 -9.769 14.594 10.697 1.00 0.54 H new ATOM 0 HH TYR A 48 -8.724 13.936 12.523 1.00 0.78 H new ATOM 468 N ILE A 49 -11.864 12.123 6.403 1.00 0.33 N ATOM 469 CA ILE A 49 -10.646 12.427 5.673 1.00 0.32 C ATOM 470 C ILE A 49 -10.423 13.934 5.659 1.00 0.30 C ATOM 471 O ILE A 49 -11.358 14.705 5.418 1.00 0.35 O ATOM 472 CB ILE A 49 -10.690 11.900 4.222 1.00 0.37 C ATOM 473 CG1 ILE A 49 -11.195 10.455 4.187 1.00 0.48 C ATOM 474 CG2 ILE A 49 -9.308 11.992 3.591 1.00 0.41 C ATOM 475 CD1 ILE A 49 -11.430 9.926 2.787 1.00 0.69 C ATOM 0 H ILE A 49 -12.698 12.577 6.030 1.00 0.33 H new ATOM 0 HA ILE A 49 -9.823 11.926 6.182 1.00 0.32 H new ATOM 0 HB ILE A 49 -11.382 12.518 3.650 1.00 0.37 H new ATOM 0 HG12 ILE A 49 -10.472 9.814 4.691 1.00 0.48 H new ATOM 0 HG13 ILE A 49 -12.125 10.391 4.751 1.00 0.48 H new ATOM 0 HG21 ILE A 49 -9.349 11.618 2.568 1.00 0.41 H new ATOM 0 HG22 ILE A 49 -8.979 13.031 3.584 1.00 0.41 H new ATOM 0 HG23 ILE A 49 -8.604 11.393 4.168 1.00 0.41 H new ATOM 0 HD11 ILE A 49 -11.787 8.897 2.842 1.00 0.69 H new ATOM 0 HD12 ILE A 49 -12.176 10.542 2.286 1.00 0.69 H new ATOM 0 HD13 ILE A 49 -10.497 9.957 2.225 1.00 0.69 H new ATOM 487 N GLN A 50 -9.196 14.347 5.928 1.00 0.30 N ATOM 488 CA GLN A 50 -8.854 15.760 5.970 1.00 0.33 C ATOM 489 C GLN A 50 -7.445 15.987 5.432 1.00 0.30 C ATOM 490 O GLN A 50 -6.545 15.177 5.666 1.00 0.36 O ATOM 491 CB GLN A 50 -8.962 16.271 7.415 1.00 0.42 C ATOM 492 CG GLN A 50 -8.413 17.673 7.629 1.00 0.51 C ATOM 493 CD GLN A 50 -8.292 18.026 9.100 1.00 0.66 C ATOM 494 OE1 GLN A 50 -8.123 17.154 9.949 1.00 0.82 O ATOM 495 NE2 GLN A 50 -8.376 19.308 9.408 1.00 0.86 N ATOM 0 H GLN A 50 -8.415 13.720 6.122 1.00 0.30 H new ATOM 0 HA GLN A 50 -9.551 16.313 5.340 1.00 0.33 H new ATOM 0 HB2 GLN A 50 -10.010 16.254 7.716 1.00 0.42 H new ATOM 0 HB3 GLN A 50 -8.431 15.582 8.072 1.00 0.42 H new ATOM 0 HG2 GLN A 50 -7.434 17.753 7.157 1.00 0.51 H new ATOM 0 HG3 GLN A 50 -9.065 18.395 7.137 1.00 0.51 H new ATOM 0 HE21 GLN A 50 -8.517 20.001 8.673 1.00 0.86 H new ATOM 0 HE22 GLN A 50 -8.300 19.605 10.381 1.00 0.86 H new ATOM 504 N GLN A 51 -7.268 17.076 4.697 1.00 0.37 N ATOM 505 CA GLN A 51 -5.970 17.430 4.138 1.00 0.37 C ATOM 506 C GLN A 51 -5.433 18.661 4.866 1.00 0.39 C ATOM 507 O GLN A 51 -6.019 19.742 4.792 1.00 0.51 O ATOM 508 CB GLN A 51 -6.091 17.695 2.636 1.00 0.44 C ATOM 509 CG GLN A 51 -4.759 17.905 1.934 1.00 0.52 C ATOM 510 CD GLN A 51 -4.921 18.065 0.434 1.00 0.72 C ATOM 511 OE1 GLN A 51 -5.961 18.521 -0.045 1.00 0.91 O ATOM 512 NE2 GLN A 51 -3.901 17.686 -0.321 1.00 0.93 N ATOM 0 H GLN A 51 -8.014 17.735 4.472 1.00 0.37 H new ATOM 0 HA GLN A 51 -5.274 16.602 4.275 1.00 0.37 H new ATOM 0 HB2 GLN A 51 -6.607 16.855 2.170 1.00 0.44 H new ATOM 0 HB3 GLN A 51 -6.714 18.576 2.482 1.00 0.44 H new ATOM 0 HG2 GLN A 51 -4.271 18.790 2.342 1.00 0.52 H new ATOM 0 HG3 GLN A 51 -4.105 17.058 2.139 1.00 0.52 H new ATOM 0 HE21 GLN A 51 -3.056 17.313 0.113 1.00 0.93 H new ATOM 0 HE22 GLN A 51 -3.960 17.767 -1.336 1.00 0.93 H new ATOM 521 N THR A 52 -4.333 18.482 5.585 1.00 0.38 N ATOM 522 CA THR A 52 -3.730 19.558 6.359 1.00 0.45 C ATOM 523 C THR A 52 -2.879 20.497 5.500 1.00 0.36 C ATOM 524 O THR A 52 -2.864 20.396 4.270 1.00 0.33 O ATOM 525 CB THR A 52 -2.870 18.976 7.494 1.00 0.59 C ATOM 526 OG1 THR A 52 -2.590 17.595 7.225 1.00 0.65 O ATOM 527 CG2 THR A 52 -3.581 19.108 8.831 1.00 0.80 C ATOM 0 H THR A 52 -3.837 17.593 5.648 1.00 0.38 H new ATOM 0 HA THR A 52 -4.549 20.147 6.773 1.00 0.45 H new ATOM 0 HB THR A 52 -1.936 19.535 7.545 1.00 0.59 H new ATOM 0 HG1 THR A 52 -2.048 17.524 6.412 1.00 0.65 H new ATOM 0 HG21 THR A 52 -2.955 18.690 9.619 1.00 0.80 H new ATOM 0 HG22 THR A 52 -3.772 20.161 9.039 1.00 0.80 H new ATOM 0 HG23 THR A 52 -4.527 18.568 8.795 1.00 0.80 H new ATOM 535 N ASP A 53 -2.170 21.410 6.166 1.00 0.40 N ATOM 536 CA ASP A 53 -1.310 22.385 5.492 1.00 0.41 C ATOM 537 C ASP A 53 -0.148 21.697 4.793 1.00 0.39 C ATOM 538 O ASP A 53 0.409 22.217 3.829 1.00 0.52 O ATOM 539 CB ASP A 53 -0.765 23.400 6.499 1.00 0.52 C ATOM 540 CG ASP A 53 0.005 22.745 7.632 1.00 0.62 C ATOM 541 OD1 ASP A 53 -0.640 22.213 8.562 1.00 0.77 O ATOM 542 OD2 ASP A 53 1.255 22.752 7.598 1.00 0.74 O ATOM 0 H ASP A 53 -2.175 21.495 7.182 1.00 0.40 H new ATOM 0 HA ASP A 53 -1.914 22.901 4.745 1.00 0.41 H new ATOM 0 HB2 ASP A 53 -0.114 24.105 5.982 1.00 0.52 H new ATOM 0 HB3 ASP A 53 -1.593 23.976 6.913 1.00 0.52 H new ATOM 547 N ASP A 54 0.192 20.515 5.276 1.00 0.42 N ATOM 548 CA ASP A 54 1.279 19.724 4.710 1.00 0.55 C ATOM 549 C ASP A 54 0.881 19.171 3.344 1.00 0.45 C ATOM 550 O ASP A 54 1.695 18.568 2.644 1.00 0.52 O ATOM 551 CB ASP A 54 1.662 18.573 5.654 1.00 0.73 C ATOM 552 CG ASP A 54 0.463 17.774 6.153 1.00 0.74 C ATOM 553 OD1 ASP A 54 -0.605 17.807 5.501 1.00 0.65 O ATOM 554 OD2 ASP A 54 0.581 17.113 7.208 1.00 1.10 O ATOM 0 H ASP A 54 -0.274 20.074 6.069 1.00 0.42 H new ATOM 0 HA ASP A 54 2.145 20.375 4.587 1.00 0.55 H new ATOM 0 HB2 ASP A 54 2.347 17.901 5.136 1.00 0.73 H new ATOM 0 HB3 ASP A 54 2.200 18.979 6.510 1.00 0.73 H new ATOM 559 N SER A 55 -0.389 19.380 2.984 1.00 0.36 N ATOM 560 CA SER A 55 -0.943 18.918 1.717 1.00 0.40 C ATOM 561 C SER A 55 -0.977 17.396 1.684 1.00 0.37 C ATOM 562 O SER A 55 -0.996 16.780 0.616 1.00 0.52 O ATOM 563 CB SER A 55 -0.141 19.477 0.537 1.00 0.57 C ATOM 564 OG SER A 55 0.040 20.876 0.673 1.00 0.66 O ATOM 0 H SER A 55 -1.061 19.877 3.569 1.00 0.36 H new ATOM 0 HA SER A 55 -1.965 19.287 1.627 1.00 0.40 H new ATOM 0 HB2 SER A 55 0.829 18.983 0.484 1.00 0.57 H new ATOM 0 HB3 SER A 55 -0.660 19.261 -0.397 1.00 0.57 H new ATOM 0 HG SER A 55 0.556 21.215 -0.089 1.00 0.66 H new ATOM 570 N LEU A 56 -0.991 16.798 2.869 1.00 0.28 N ATOM 571 CA LEU A 56 -1.025 15.354 2.994 1.00 0.31 C ATOM 572 C LEU A 56 -2.419 14.885 3.386 1.00 0.27 C ATOM 573 O LEU A 56 -3.028 15.412 4.323 1.00 0.30 O ATOM 574 CB LEU A 56 0.004 14.890 4.028 1.00 0.38 C ATOM 575 CG LEU A 56 1.453 15.278 3.722 1.00 0.40 C ATOM 576 CD1 LEU A 56 2.380 14.828 4.841 1.00 0.49 C ATOM 577 CD2 LEU A 56 1.896 14.684 2.396 1.00 0.48 C ATOM 0 H LEU A 56 -0.979 17.297 3.758 1.00 0.28 H new ATOM 0 HA LEU A 56 -0.774 14.915 2.028 1.00 0.31 H new ATOM 0 HB2 LEU A 56 -0.269 15.302 4.999 1.00 0.38 H new ATOM 0 HB3 LEU A 56 -0.055 13.805 4.114 1.00 0.38 H new ATOM 0 HG LEU A 56 1.505 16.364 3.650 1.00 0.40 H new ATOM 0 HD11 LEU A 56 3.404 15.114 4.602 1.00 0.49 H new ATOM 0 HD12 LEU A 56 2.079 15.302 5.775 1.00 0.49 H new ATOM 0 HD13 LEU A 56 2.322 13.745 4.948 1.00 0.49 H new ATOM 0 HD21 LEU A 56 2.928 14.971 2.196 1.00 0.48 H new ATOM 0 HD22 LEU A 56 1.823 13.597 2.442 1.00 0.48 H new ATOM 0 HD23 LEU A 56 1.254 15.057 1.598 1.00 0.48 H new ATOM 589 N ILE A 57 -2.922 13.908 2.650 1.00 0.27 N ATOM 590 CA ILE A 57 -4.242 13.350 2.905 1.00 0.26 C ATOM 591 C ILE A 57 -4.211 12.483 4.161 1.00 0.24 C ATOM 592 O ILE A 57 -3.392 11.578 4.271 1.00 0.29 O ATOM 593 CB ILE A 57 -4.728 12.493 1.716 1.00 0.30 C ATOM 594 CG1 ILE A 57 -4.397 13.169 0.378 1.00 0.45 C ATOM 595 CG2 ILE A 57 -6.220 12.223 1.825 1.00 0.35 C ATOM 596 CD1 ILE A 57 -5.111 14.486 0.153 1.00 0.57 C ATOM 0 H ILE A 57 -2.432 13.481 1.864 1.00 0.27 H new ATOM 0 HA ILE A 57 -4.932 14.183 3.043 1.00 0.26 H new ATOM 0 HB ILE A 57 -4.202 11.539 1.751 1.00 0.30 H new ATOM 0 HG12 ILE A 57 -3.322 13.338 0.326 1.00 0.45 H new ATOM 0 HG13 ILE A 57 -4.652 12.487 -0.433 1.00 0.45 H new ATOM 0 HG21 ILE A 57 -6.543 11.618 0.978 1.00 0.35 H new ATOM 0 HG22 ILE A 57 -6.426 11.689 2.752 1.00 0.35 H new ATOM 0 HG23 ILE A 57 -6.762 13.169 1.823 1.00 0.35 H new ATOM 0 HD11 ILE A 57 -4.821 14.896 -0.814 1.00 0.57 H new ATOM 0 HD12 ILE A 57 -6.189 14.323 0.170 1.00 0.57 H new ATOM 0 HD13 ILE A 57 -4.837 15.187 0.941 1.00 0.57 H new ATOM 608 N HIS A 58 -5.087 12.762 5.112 1.00 0.25 N ATOM 609 CA HIS A 58 -5.124 11.989 6.345 1.00 0.27 C ATOM 610 C HIS A 58 -6.413 11.181 6.468 1.00 0.27 C ATOM 611 O HIS A 58 -7.515 11.733 6.427 1.00 0.33 O ATOM 612 CB HIS A 58 -4.969 12.907 7.563 1.00 0.32 C ATOM 613 CG HIS A 58 -3.545 13.143 7.967 1.00 0.39 C ATOM 614 ND1 HIS A 58 -2.980 12.584 9.096 1.00 0.51 N ATOM 615 CD2 HIS A 58 -2.569 13.886 7.390 1.00 0.48 C ATOM 616 CE1 HIS A 58 -1.723 12.977 9.197 1.00 0.61 C ATOM 617 NE2 HIS A 58 -1.449 13.761 8.172 1.00 0.59 N ATOM 0 H HIS A 58 -5.777 13.511 5.057 1.00 0.25 H new ATOM 0 HA HIS A 58 -4.288 11.290 6.312 1.00 0.27 H new ATOM 0 HB2 HIS A 58 -5.439 13.866 7.345 1.00 0.32 H new ATOM 0 HB3 HIS A 58 -5.508 12.472 8.405 1.00 0.32 H new ATOM 0 HD1 HIS A 58 -3.458 11.964 9.750 1.00 0.51 H new ATOM 0 HD2 HIS A 58 -2.657 14.468 6.484 1.00 0.48 H new ATOM 0 HE1 HIS A 58 -1.037 12.703 9.985 1.00 0.61 H new ATOM 626 N PHE A 59 -6.261 9.875 6.609 1.00 0.27 N ATOM 627 CA PHE A 59 -7.388 8.963 6.770 1.00 0.28 C ATOM 628 C PHE A 59 -7.426 8.513 8.224 1.00 0.31 C ATOM 629 O PHE A 59 -6.546 7.772 8.672 1.00 0.36 O ATOM 630 CB PHE A 59 -7.225 7.760 5.835 1.00 0.31 C ATOM 631 CG PHE A 59 -8.445 6.891 5.708 1.00 0.45 C ATOM 632 CD1 PHE A 59 -8.650 5.827 6.570 1.00 0.63 C ATOM 633 CD2 PHE A 59 -9.374 7.126 4.709 1.00 0.69 C ATOM 634 CE1 PHE A 59 -9.759 5.015 6.440 1.00 0.84 C ATOM 635 CE2 PHE A 59 -10.487 6.320 4.573 1.00 0.92 C ATOM 636 CZ PHE A 59 -10.679 5.262 5.440 1.00 0.94 C ATOM 0 H PHE A 59 -5.352 9.413 6.615 1.00 0.27 H new ATOM 0 HA PHE A 59 -8.323 9.461 6.513 1.00 0.28 H new ATOM 0 HB2 PHE A 59 -6.949 8.122 4.845 1.00 0.31 H new ATOM 0 HB3 PHE A 59 -6.396 7.149 6.193 1.00 0.31 H new ATOM 0 HD1 PHE A 59 -7.934 5.630 7.354 1.00 0.63 H new ATOM 0 HD2 PHE A 59 -9.226 7.950 4.027 1.00 0.69 H new ATOM 0 HE1 PHE A 59 -9.907 4.188 7.119 1.00 0.84 H new ATOM 0 HE2 PHE A 59 -11.205 6.516 3.791 1.00 0.92 H new ATOM 0 HZ PHE A 59 -11.548 4.629 5.336 1.00 0.94 H new ATOM 646 N CYS A 60 -8.431 8.950 8.968 1.00 0.33 N ATOM 647 CA CYS A 60 -8.509 8.611 10.379 1.00 0.38 C ATOM 648 C CYS A 60 -9.887 8.103 10.795 1.00 0.38 C ATOM 649 O CYS A 60 -10.906 8.436 10.184 1.00 0.40 O ATOM 650 CB CYS A 60 -8.144 9.838 11.218 1.00 0.43 C ATOM 651 SG CYS A 60 -7.089 11.034 10.364 1.00 0.46 S ATOM 0 H CYS A 60 -9.194 9.532 8.623 1.00 0.33 H new ATOM 0 HA CYS A 60 -7.803 7.799 10.553 1.00 0.38 H new ATOM 0 HB2 CYS A 60 -9.062 10.337 11.529 1.00 0.43 H new ATOM 0 HB3 CYS A 60 -7.638 9.507 12.125 1.00 0.43 H new ATOM 0 HG CYS A 60 -5.845 10.806 10.663 1.00 0.46 H new ATOM 657 N TRP A 61 -9.895 7.295 11.849 1.00 0.39 N ATOM 658 CA TRP A 61 -11.124 6.750 12.409 1.00 0.39 C ATOM 659 C TRP A 61 -11.396 7.439 13.742 1.00 0.42 C ATOM 660 O TRP A 61 -10.578 7.371 14.663 1.00 0.45 O ATOM 661 CB TRP A 61 -11.008 5.233 12.607 1.00 0.40 C ATOM 662 CG TRP A 61 -12.290 4.584 13.042 1.00 0.41 C ATOM 663 CD1 TRP A 61 -13.306 4.155 12.236 1.00 0.43 C ATOM 664 CD2 TRP A 61 -12.693 4.287 14.387 1.00 0.43 C ATOM 665 NE1 TRP A 61 -14.316 3.617 12.996 1.00 0.45 N ATOM 666 CE2 TRP A 61 -13.962 3.683 14.318 1.00 0.45 C ATOM 667 CE3 TRP A 61 -12.106 4.472 15.641 1.00 0.46 C ATOM 668 CZ2 TRP A 61 -14.650 3.265 15.452 1.00 0.49 C ATOM 669 CZ3 TRP A 61 -12.793 4.058 16.768 1.00 0.51 C ATOM 670 CH2 TRP A 61 -14.052 3.459 16.666 1.00 0.52 C ATOM 0 H TRP A 61 -9.050 7.000 12.338 1.00 0.39 H new ATOM 0 HA TRP A 61 -11.949 6.931 11.720 1.00 0.39 H new ATOM 0 HB2 TRP A 61 -10.678 4.777 11.673 1.00 0.40 H new ATOM 0 HB3 TRP A 61 -10.237 5.030 13.350 1.00 0.40 H new ATOM 0 HD1 TRP A 61 -13.314 4.228 11.159 1.00 0.43 H new ATOM 0 HE1 TRP A 61 -15.188 3.231 12.635 1.00 0.45 H new ATOM 0 HE3 TRP A 61 -11.132 4.931 15.729 1.00 0.46 H new ATOM 0 HZ2 TRP A 61 -15.623 2.803 15.376 1.00 0.49 H new ATOM 0 HZ3 TRP A 61 -12.350 4.200 17.742 1.00 0.51 H new ATOM 0 HH2 TRP A 61 -14.562 3.143 17.564 1.00 0.52 H new ATOM 681 N LYS A 62 -12.531 8.110 13.837 1.00 0.46 N ATOM 682 CA LYS A 62 -12.888 8.837 15.046 1.00 0.50 C ATOM 683 C LYS A 62 -13.960 8.106 15.850 1.00 0.51 C ATOM 684 O LYS A 62 -14.986 7.693 15.307 1.00 0.51 O ATOM 685 CB LYS A 62 -13.373 10.239 14.673 1.00 0.57 C ATOM 686 CG LYS A 62 -13.428 11.213 15.838 1.00 0.63 C ATOM 687 CD LYS A 62 -13.324 12.649 15.348 1.00 0.75 C ATOM 688 CE LYS A 62 -13.638 13.647 16.450 1.00 0.93 C ATOM 689 NZ LYS A 62 -13.116 15.002 16.129 1.00 1.04 N ATOM 0 H LYS A 62 -13.223 8.167 13.090 1.00 0.46 H new ATOM 0 HA LYS A 62 -12.000 8.908 15.674 1.00 0.50 H new ATOM 0 HB2 LYS A 62 -12.715 10.646 13.905 1.00 0.57 H new ATOM 0 HB3 LYS A 62 -14.367 10.161 14.232 1.00 0.57 H new ATOM 0 HG2 LYS A 62 -14.360 11.078 16.387 1.00 0.63 H new ATOM 0 HG3 LYS A 62 -12.615 11.002 16.533 1.00 0.63 H new ATOM 0 HD2 LYS A 62 -12.319 12.831 14.969 1.00 0.75 H new ATOM 0 HD3 LYS A 62 -14.011 12.799 14.515 1.00 0.75 H new ATOM 0 HE2 LYS A 62 -14.717 13.698 16.598 1.00 0.93 H new ATOM 0 HE3 LYS A 62 -13.203 13.302 17.388 1.00 0.93 H new ATOM 0 HZ1 LYS A 62 -13.530 15.697 16.782 1.00 1.04 H new ATOM 0 HZ2 LYS A 62 -12.081 15.008 16.228 1.00 1.04 H new ATOM 0 HZ3 LYS A 62 -13.371 15.250 15.152 1.00 1.04 H new ATOM 703 N ASP A 63 -13.696 7.938 17.139 1.00 0.53 N ATOM 704 CA ASP A 63 -14.632 7.291 18.056 1.00 0.55 C ATOM 705 C ASP A 63 -15.806 8.241 18.294 1.00 0.57 C ATOM 706 O ASP A 63 -15.602 9.398 18.664 1.00 0.62 O ATOM 707 CB ASP A 63 -13.908 6.959 19.370 1.00 0.61 C ATOM 708 CG ASP A 63 -14.764 6.204 20.375 1.00 0.65 C ATOM 709 OD1 ASP A 63 -15.693 6.808 20.945 1.00 0.92 O ATOM 710 OD2 ASP A 63 -14.473 5.016 20.644 1.00 1.09 O ATOM 0 H ASP A 63 -12.829 8.245 17.580 1.00 0.53 H new ATOM 0 HA ASP A 63 -15.010 6.359 17.635 1.00 0.55 H new ATOM 0 HB2 ASP A 63 -13.022 6.365 19.145 1.00 0.61 H new ATOM 0 HB3 ASP A 63 -13.563 7.886 19.827 1.00 0.61 H new ATOM 715 N ARG A 64 -17.027 7.769 18.082 1.00 0.58 N ATOM 716 CA ARG A 64 -18.206 8.623 18.232 1.00 0.61 C ATOM 717 C ARG A 64 -18.648 8.782 19.683 1.00 0.66 C ATOM 718 O ARG A 64 -19.499 9.618 19.985 1.00 0.75 O ATOM 719 CB ARG A 64 -19.368 8.078 17.403 1.00 0.63 C ATOM 720 CG ARG A 64 -19.153 8.191 15.904 1.00 0.63 C ATOM 721 CD ARG A 64 -20.441 7.925 15.140 1.00 0.65 C ATOM 722 NE ARG A 64 -21.450 8.954 15.393 1.00 0.78 N ATOM 723 CZ ARG A 64 -22.767 8.748 15.349 1.00 0.91 C ATOM 724 NH1 ARG A 64 -23.248 7.546 15.053 1.00 0.99 N ATOM 725 NH2 ARG A 64 -23.602 9.747 15.606 1.00 1.14 N ATOM 0 H ARG A 64 -17.230 6.808 17.808 1.00 0.58 H new ATOM 0 HA ARG A 64 -17.917 9.610 17.870 1.00 0.61 H new ATOM 0 HB2 ARG A 64 -19.527 7.031 17.661 1.00 0.63 H new ATOM 0 HB3 ARG A 64 -20.278 8.614 17.672 1.00 0.63 H new ATOM 0 HG2 ARG A 64 -18.783 9.187 15.662 1.00 0.63 H new ATOM 0 HG3 ARG A 64 -18.388 7.481 15.590 1.00 0.63 H new ATOM 0 HD2 ARG A 64 -20.227 7.882 14.072 1.00 0.65 H new ATOM 0 HD3 ARG A 64 -20.837 6.951 15.425 1.00 0.65 H new ATOM 0 HE ARG A 64 -21.124 9.894 15.619 1.00 0.78 H new ATOM 0 HH11 ARG A 64 -22.609 6.775 14.858 1.00 0.99 H new ATOM 0 HH12 ARG A 64 -24.256 7.394 15.021 1.00 0.99 H new ATOM 0 HH21 ARG A 64 -23.236 10.671 15.837 1.00 1.14 H new ATOM 0 HH22 ARG A 64 -24.609 9.591 15.573 1.00 1.14 H new ATOM 739 N THR A 65 -18.079 8.005 20.580 1.00 0.68 N ATOM 740 CA THR A 65 -18.457 8.088 21.983 1.00 0.74 C ATOM 741 C THR A 65 -17.549 9.050 22.747 1.00 0.75 C ATOM 742 O THR A 65 -18.025 9.910 23.491 1.00 0.83 O ATOM 743 CB THR A 65 -18.418 6.697 22.641 1.00 0.76 C ATOM 744 OG1 THR A 65 -18.890 5.715 21.706 1.00 0.88 O ATOM 745 CG2 THR A 65 -19.276 6.662 23.898 1.00 0.93 C ATOM 0 H THR A 65 -17.359 7.313 20.370 1.00 0.68 H new ATOM 0 HA THR A 65 -19.476 8.472 22.025 1.00 0.74 H new ATOM 0 HB THR A 65 -17.389 6.476 22.925 1.00 0.76 H new ATOM 0 HG1 THR A 65 -18.864 4.828 22.122 1.00 0.88 H new ATOM 0 HG21 THR A 65 -19.230 5.668 24.342 1.00 0.93 H new ATOM 0 HG22 THR A 65 -18.904 7.396 24.613 1.00 0.93 H new ATOM 0 HG23 THR A 65 -20.309 6.897 23.640 1.00 0.93 H new ATOM 753 N SER A 66 -16.250 8.912 22.550 1.00 0.71 N ATOM 754 CA SER A 66 -15.286 9.763 23.233 1.00 0.75 C ATOM 755 C SER A 66 -14.888 10.955 22.368 1.00 0.73 C ATOM 756 O SER A 66 -14.643 12.052 22.877 1.00 0.79 O ATOM 757 CB SER A 66 -14.043 8.955 23.602 1.00 0.75 C ATOM 758 OG SER A 66 -13.681 8.067 22.555 1.00 0.75 O ATOM 0 H SER A 66 -15.837 8.221 21.924 1.00 0.71 H new ATOM 0 HA SER A 66 -15.757 10.142 24.140 1.00 0.75 H new ATOM 0 HB2 SER A 66 -13.215 9.632 23.812 1.00 0.75 H new ATOM 0 HB3 SER A 66 -14.231 8.389 24.514 1.00 0.75 H new ATOM 0 HG SER A 66 -12.882 7.563 22.815 1.00 0.75 H new ATOM 764 N GLY A 67 -14.845 10.739 21.060 1.00 0.67 N ATOM 765 CA GLY A 67 -14.449 11.793 20.146 1.00 0.67 C ATOM 766 C GLY A 67 -12.954 11.771 19.910 1.00 0.65 C ATOM 767 O GLY A 67 -12.374 12.736 19.413 1.00 0.70 O ATOM 0 H GLY A 67 -15.078 9.851 20.615 1.00 0.67 H new ATOM 0 HA2 GLY A 67 -14.973 11.673 19.198 1.00 0.67 H new ATOM 0 HA3 GLY A 67 -14.743 12.761 20.552 1.00 0.67 H new ATOM 771 N ASN A 68 -12.335 10.653 20.272 1.00 0.63 N ATOM 772 CA ASN A 68 -10.899 10.482 20.118 1.00 0.63 C ATOM 773 C ASN A 68 -10.579 9.786 18.803 1.00 0.58 C ATOM 774 O ASN A 68 -11.362 8.972 18.311 1.00 0.58 O ATOM 775 CB ASN A 68 -10.322 9.665 21.281 1.00 0.68 C ATOM 776 CG ASN A 68 -10.537 10.327 22.630 1.00 0.85 C ATOM 777 OD1 ASN A 68 -10.654 11.550 22.730 1.00 1.01 O ATOM 778 ND2 ASN A 68 -10.582 9.521 23.681 1.00 1.01 N ATOM 0 H ASN A 68 -12.811 9.847 20.677 1.00 0.63 H new ATOM 0 HA ASN A 68 -10.444 11.472 20.118 1.00 0.63 H new ATOM 0 HB2 ASN A 68 -10.783 8.677 21.289 1.00 0.68 H new ATOM 0 HB3 ASN A 68 -9.254 9.517 21.120 1.00 0.68 H new ATOM 0 HD21 ASN A 68 -10.718 9.908 24.615 1.00 1.01 H new ATOM 0 HD22 ASN A 68 -10.481 8.514 23.556 1.00 1.01 H new ATOM 785 N VAL A 69 -9.437 10.123 18.229 1.00 0.56 N ATOM 786 CA VAL A 69 -9.004 9.519 16.981 1.00 0.53 C ATOM 787 C VAL A 69 -8.006 8.405 17.269 1.00 0.51 C ATOM 788 O VAL A 69 -6.919 8.656 17.787 1.00 0.59 O ATOM 789 CB VAL A 69 -8.365 10.558 16.036 1.00 0.57 C ATOM 790 CG1 VAL A 69 -8.028 9.930 14.694 1.00 0.60 C ATOM 791 CG2 VAL A 69 -9.292 11.749 15.851 1.00 0.63 C ATOM 0 H VAL A 69 -8.791 10.814 18.609 1.00 0.56 H new ATOM 0 HA VAL A 69 -9.884 9.111 16.484 1.00 0.53 H new ATOM 0 HB VAL A 69 -7.438 10.909 16.490 1.00 0.57 H new ATOM 0 HG11 VAL A 69 -7.579 10.681 14.044 1.00 0.60 H new ATOM 0 HG12 VAL A 69 -7.325 9.110 14.842 1.00 0.60 H new ATOM 0 HG13 VAL A 69 -8.938 9.548 14.232 1.00 0.60 H new ATOM 0 HG21 VAL A 69 -8.826 12.472 15.182 1.00 0.63 H new ATOM 0 HG22 VAL A 69 -10.236 11.412 15.421 1.00 0.63 H new ATOM 0 HG23 VAL A 69 -9.480 12.217 16.817 1.00 0.63 H new ATOM 801 N GLU A 70 -8.384 7.174 16.951 1.00 0.49 N ATOM 802 CA GLU A 70 -7.518 6.032 17.204 1.00 0.51 C ATOM 803 C GLU A 70 -6.527 5.831 16.069 1.00 0.50 C ATOM 804 O GLU A 70 -5.314 5.889 16.272 1.00 0.62 O ATOM 805 CB GLU A 70 -8.345 4.760 17.400 1.00 0.55 C ATOM 806 CG GLU A 70 -9.419 4.893 18.465 1.00 0.81 C ATOM 807 CD GLU A 70 -9.960 3.554 18.923 1.00 0.68 C ATOM 808 OE1 GLU A 70 -9.825 2.554 18.180 1.00 0.69 O ATOM 809 OE2 GLU A 70 -10.529 3.494 20.032 1.00 0.71 O ATOM 0 H GLU A 70 -9.279 6.942 16.520 1.00 0.49 H new ATOM 0 HA GLU A 70 -6.960 6.238 18.118 1.00 0.51 H new ATOM 0 HB2 GLU A 70 -8.815 4.492 16.453 1.00 0.55 H new ATOM 0 HB3 GLU A 70 -7.678 3.941 17.668 1.00 0.55 H new ATOM 0 HG2 GLU A 70 -9.010 5.427 19.323 1.00 0.81 H new ATOM 0 HG3 GLU A 70 -10.238 5.497 18.075 1.00 0.81 H new ATOM 816 N ASP A 71 -7.048 5.607 14.873 1.00 0.47 N ATOM 817 CA ASP A 71 -6.207 5.378 13.707 1.00 0.46 C ATOM 818 C ASP A 71 -6.060 6.646 12.882 1.00 0.43 C ATOM 819 O ASP A 71 -7.030 7.367 12.664 1.00 0.46 O ATOM 820 CB ASP A 71 -6.789 4.259 12.837 1.00 0.51 C ATOM 821 CG ASP A 71 -6.918 2.948 13.580 1.00 0.57 C ATOM 822 OD1 ASP A 71 -5.903 2.230 13.721 1.00 0.73 O ATOM 823 OD2 ASP A 71 -8.040 2.627 14.031 1.00 0.61 O ATOM 0 H ASP A 71 -8.050 5.579 14.683 1.00 0.47 H new ATOM 0 HA ASP A 71 -5.221 5.079 14.062 1.00 0.46 H new ATOM 0 HB2 ASP A 71 -7.770 4.562 12.471 1.00 0.51 H new ATOM 0 HB3 ASP A 71 -6.153 4.116 11.964 1.00 0.51 H new ATOM 828 N ASP A 72 -4.835 6.902 12.439 1.00 0.43 N ATOM 829 CA ASP A 72 -4.516 8.068 11.619 1.00 0.42 C ATOM 830 C ASP A 72 -3.401 7.702 10.650 1.00 0.42 C ATOM 831 O ASP A 72 -2.277 7.423 11.068 1.00 0.52 O ATOM 832 CB ASP A 72 -4.090 9.251 12.497 1.00 0.48 C ATOM 833 CG ASP A 72 -3.510 10.403 11.691 1.00 0.59 C ATOM 834 OD1 ASP A 72 -4.244 11.005 10.877 1.00 0.99 O ATOM 835 OD2 ASP A 72 -2.316 10.722 11.878 1.00 1.05 O ATOM 0 H ASP A 72 -4.031 6.306 12.638 1.00 0.43 H new ATOM 0 HA ASP A 72 -5.404 8.368 11.062 1.00 0.42 H new ATOM 0 HB2 ASP A 72 -4.951 9.607 13.063 1.00 0.48 H new ATOM 0 HB3 ASP A 72 -3.350 8.912 13.222 1.00 0.48 H new ATOM 840 N LEU A 73 -3.719 7.670 9.365 1.00 0.36 N ATOM 841 CA LEU A 73 -2.735 7.313 8.351 1.00 0.38 C ATOM 842 C LEU A 73 -2.707 8.333 7.219 1.00 0.34 C ATOM 843 O LEU A 73 -3.743 8.873 6.830 1.00 0.42 O ATOM 844 CB LEU A 73 -3.042 5.929 7.773 1.00 0.44 C ATOM 845 CG LEU A 73 -2.939 4.766 8.759 1.00 0.66 C ATOM 846 CD1 LEU A 73 -3.519 3.501 8.154 1.00 0.93 C ATOM 847 CD2 LEU A 73 -1.492 4.543 9.172 1.00 0.92 C ATOM 0 H LEU A 73 -4.646 7.886 8.999 1.00 0.36 H new ATOM 0 HA LEU A 73 -1.758 7.301 8.835 1.00 0.38 H new ATOM 0 HB2 LEU A 73 -4.050 5.943 7.359 1.00 0.44 H new ATOM 0 HB3 LEU A 73 -2.359 5.741 6.944 1.00 0.44 H new ATOM 0 HG LEU A 73 -3.517 5.018 9.648 1.00 0.66 H new ATOM 0 HD11 LEU A 73 -3.437 2.684 8.871 1.00 0.93 H new ATOM 0 HD12 LEU A 73 -4.568 3.663 7.908 1.00 0.93 H new ATOM 0 HD13 LEU A 73 -2.969 3.246 7.248 1.00 0.93 H new ATOM 0 HD21 LEU A 73 -1.438 3.711 9.874 1.00 0.92 H new ATOM 0 HD22 LEU A 73 -0.893 4.313 8.291 1.00 0.92 H new ATOM 0 HD23 LEU A 73 -1.106 5.445 9.648 1.00 0.92 H new ATOM 859 N ILE A 74 -1.517 8.601 6.701 1.00 0.29 N ATOM 860 CA ILE A 74 -1.358 9.536 5.595 1.00 0.28 C ATOM 861 C ILE A 74 -1.519 8.794 4.274 1.00 0.30 C ATOM 862 O ILE A 74 -0.740 7.899 3.959 1.00 0.51 O ATOM 863 CB ILE A 74 0.015 10.238 5.619 1.00 0.30 C ATOM 864 CG1 ILE A 74 0.424 10.584 7.054 1.00 0.43 C ATOM 865 CG2 ILE A 74 -0.031 11.496 4.766 1.00 0.33 C ATOM 866 CD1 ILE A 74 1.815 11.167 7.162 1.00 0.59 C ATOM 0 H ILE A 74 -0.646 8.184 7.029 1.00 0.29 H new ATOM 0 HA ILE A 74 -2.126 10.302 5.700 1.00 0.28 H new ATOM 0 HB ILE A 74 0.760 9.556 5.208 1.00 0.30 H new ATOM 0 HG12 ILE A 74 -0.292 11.295 7.466 1.00 0.43 H new ATOM 0 HG13 ILE A 74 0.368 9.684 7.666 1.00 0.43 H new ATOM 0 HG21 ILE A 74 0.942 11.986 4.788 1.00 0.33 H new ATOM 0 HG22 ILE A 74 -0.280 11.230 3.739 1.00 0.33 H new ATOM 0 HG23 ILE A 74 -0.788 12.175 5.159 1.00 0.33 H new ATOM 0 HD11 ILE A 74 2.037 11.388 8.206 1.00 0.59 H new ATOM 0 HD12 ILE A 74 2.541 10.449 6.781 1.00 0.59 H new ATOM 0 HD13 ILE A 74 1.871 12.085 6.577 1.00 0.59 H new ATOM 878 N ILE A 75 -2.525 9.170 3.508 1.00 0.24 N ATOM 879 CA ILE A 75 -2.799 8.516 2.241 1.00 0.23 C ATOM 880 C ILE A 75 -2.095 9.218 1.086 1.00 0.24 C ATOM 881 O ILE A 75 -2.012 10.446 1.050 1.00 0.26 O ATOM 882 CB ILE A 75 -4.315 8.468 1.959 1.00 0.27 C ATOM 883 CG1 ILE A 75 -5.056 7.779 3.111 1.00 0.28 C ATOM 884 CG2 ILE A 75 -4.589 7.757 0.645 1.00 0.32 C ATOM 885 CD1 ILE A 75 -4.578 6.371 3.395 1.00 0.31 C ATOM 0 H ILE A 75 -3.168 9.927 3.741 1.00 0.24 H new ATOM 0 HA ILE A 75 -2.415 7.499 2.320 1.00 0.23 H new ATOM 0 HB ILE A 75 -4.683 9.491 1.879 1.00 0.27 H new ATOM 0 HG12 ILE A 75 -4.942 8.379 4.014 1.00 0.28 H new ATOM 0 HG13 ILE A 75 -6.121 7.751 2.879 1.00 0.28 H new ATOM 0 HG21 ILE A 75 -5.663 7.732 0.462 1.00 0.32 H new ATOM 0 HG22 ILE A 75 -4.095 8.290 -0.167 1.00 0.32 H new ATOM 0 HG23 ILE A 75 -4.206 6.738 0.696 1.00 0.32 H new ATOM 0 HD11 ILE A 75 -5.151 5.952 4.222 1.00 0.31 H new ATOM 0 HD12 ILE A 75 -4.718 5.753 2.508 1.00 0.31 H new ATOM 0 HD13 ILE A 75 -3.521 6.392 3.660 1.00 0.31 H new ATOM 897 N PHE A 76 -1.580 8.430 0.152 1.00 0.27 N ATOM 898 CA PHE A 76 -0.892 8.963 -1.010 1.00 0.31 C ATOM 899 C PHE A 76 -1.427 8.301 -2.277 1.00 0.32 C ATOM 900 O PHE A 76 -1.855 7.141 -2.239 1.00 0.35 O ATOM 901 CB PHE A 76 0.618 8.735 -0.899 1.00 0.34 C ATOM 902 CG PHE A 76 1.241 9.381 0.306 1.00 0.39 C ATOM 903 CD1 PHE A 76 1.311 8.702 1.508 1.00 0.40 C ATOM 904 CD2 PHE A 76 1.755 10.665 0.236 1.00 0.50 C ATOM 905 CE1 PHE A 76 1.883 9.285 2.619 1.00 0.50 C ATOM 906 CE2 PHE A 76 2.327 11.257 1.345 1.00 0.58 C ATOM 907 CZ PHE A 76 2.393 10.567 2.540 1.00 0.58 C ATOM 0 H PHE A 76 -1.628 7.412 0.180 1.00 0.27 H new ATOM 0 HA PHE A 76 -1.075 10.036 -1.058 1.00 0.31 H new ATOM 0 HB2 PHE A 76 0.813 7.663 -0.867 1.00 0.34 H new ATOM 0 HB3 PHE A 76 1.101 9.120 -1.797 1.00 0.34 H new ATOM 0 HD1 PHE A 76 0.912 7.701 1.578 1.00 0.40 H new ATOM 0 HD2 PHE A 76 1.708 11.209 -0.696 1.00 0.50 H new ATOM 0 HE1 PHE A 76 1.932 8.740 3.550 1.00 0.50 H new ATOM 0 HE2 PHE A 76 2.723 12.260 1.278 1.00 0.58 H new ATOM 0 HZ PHE A 76 2.841 11.027 3.408 1.00 0.58 H new ATOM 917 N PRO A 77 -1.434 9.033 -3.405 1.00 0.36 N ATOM 918 CA PRO A 77 -1.921 8.514 -4.691 1.00 0.38 C ATOM 919 C PRO A 77 -1.074 7.358 -5.227 1.00 0.33 C ATOM 920 O PRO A 77 0.068 7.163 -4.802 1.00 0.33 O ATOM 921 CB PRO A 77 -1.826 9.717 -5.632 1.00 0.45 C ATOM 922 CG PRO A 77 -1.699 10.909 -4.753 1.00 0.55 C ATOM 923 CD PRO A 77 -0.995 10.435 -3.519 1.00 0.44 C ATOM 0 HA PRO A 77 -2.927 8.106 -4.595 1.00 0.38 H new ATOM 0 HB2 PRO A 77 -0.966 9.627 -6.296 1.00 0.45 H new ATOM 0 HB3 PRO A 77 -2.711 9.790 -6.264 1.00 0.45 H new ATOM 0 HG2 PRO A 77 -1.133 11.700 -5.246 1.00 0.55 H new ATOM 0 HG3 PRO A 77 -2.678 11.321 -4.510 1.00 0.55 H new ATOM 0 HD2 PRO A 77 0.088 10.512 -3.617 1.00 0.44 H new ATOM 0 HD3 PRO A 77 -1.278 11.019 -2.643 1.00 0.44 H new ATOM 931 N ASP A 78 -1.656 6.611 -6.178 1.00 0.40 N ATOM 932 CA ASP A 78 -1.015 5.443 -6.814 1.00 0.46 C ATOM 933 C ASP A 78 -0.466 4.479 -5.763 1.00 0.45 C ATOM 934 O ASP A 78 0.471 3.725 -6.027 1.00 0.60 O ATOM 935 CB ASP A 78 0.112 5.820 -7.826 1.00 0.53 C ATOM 936 CG ASP A 78 0.445 7.301 -7.908 1.00 0.98 C ATOM 937 OD1 ASP A 78 -0.390 8.081 -8.420 1.00 1.34 O ATOM 938 OD2 ASP A 78 1.562 7.692 -7.494 1.00 1.36 O ATOM 0 H ASP A 78 -2.594 6.800 -6.532 1.00 0.40 H new ATOM 0 HA ASP A 78 -1.803 4.954 -7.387 1.00 0.46 H new ATOM 0 HB2 ASP A 78 1.017 5.276 -7.556 1.00 0.53 H new ATOM 0 HB3 ASP A 78 -0.183 5.476 -8.817 1.00 0.53 H new ATOM 943 N ASP A 79 -1.066 4.477 -4.575 1.00 0.53 N ATOM 944 CA ASP A 79 -0.591 3.613 -3.503 1.00 0.61 C ATOM 945 C ASP A 79 -1.710 3.129 -2.582 1.00 0.59 C ATOM 946 O ASP A 79 -1.459 2.375 -1.645 1.00 1.11 O ATOM 947 CB ASP A 79 0.454 4.360 -2.677 1.00 0.80 C ATOM 948 CG ASP A 79 1.557 3.451 -2.180 1.00 1.12 C ATOM 949 OD1 ASP A 79 2.266 2.858 -3.028 1.00 1.44 O ATOM 950 OD2 ASP A 79 1.733 3.347 -0.953 1.00 1.74 O ATOM 0 H ASP A 79 -1.871 5.056 -4.334 1.00 0.53 H new ATOM 0 HA ASP A 79 -0.159 2.730 -3.973 1.00 0.61 H new ATOM 0 HB2 ASP A 79 0.888 5.157 -3.281 1.00 0.80 H new ATOM 0 HB3 ASP A 79 -0.033 4.835 -1.825 1.00 0.80 H new ATOM 955 N CYS A 80 -2.942 3.533 -2.843 1.00 0.50 N ATOM 956 CA CYS A 80 -4.052 3.127 -1.983 1.00 0.46 C ATOM 957 C CYS A 80 -5.258 2.669 -2.793 1.00 0.43 C ATOM 958 O CYS A 80 -5.479 3.138 -3.912 1.00 0.60 O ATOM 959 CB CYS A 80 -4.435 4.286 -1.062 1.00 0.63 C ATOM 960 SG CYS A 80 -3.014 5.063 -0.250 1.00 0.90 S ATOM 0 H CYS A 80 -3.201 4.131 -3.628 1.00 0.50 H new ATOM 0 HA CYS A 80 -3.725 2.277 -1.384 1.00 0.46 H new ATOM 0 HB2 CYS A 80 -4.969 5.039 -1.642 1.00 0.63 H new ATOM 0 HB3 CYS A 80 -5.124 3.922 -0.300 1.00 0.63 H new ATOM 0 HG CYS A 80 -2.488 5.945 -1.047 1.00 0.90 H new ATOM 966 N GLU A 81 -6.022 1.741 -2.221 1.00 0.34 N ATOM 967 CA GLU A 81 -7.210 1.201 -2.872 1.00 0.39 C ATOM 968 C GLU A 81 -8.279 0.849 -1.837 1.00 0.36 C ATOM 969 O GLU A 81 -8.054 0.015 -0.958 1.00 0.45 O ATOM 970 CB GLU A 81 -6.840 -0.041 -3.687 1.00 0.49 C ATOM 971 CG GLU A 81 -7.955 -0.563 -4.577 1.00 0.74 C ATOM 972 CD GLU A 81 -7.455 -1.604 -5.558 1.00 0.94 C ATOM 973 OE1 GLU A 81 -6.947 -1.223 -6.632 1.00 1.32 O ATOM 974 OE2 GLU A 81 -7.556 -2.814 -5.254 1.00 1.15 O ATOM 0 H GLU A 81 -5.836 1.345 -1.300 1.00 0.34 H new ATOM 0 HA GLU A 81 -7.614 1.961 -3.541 1.00 0.39 H new ATOM 0 HB2 GLU A 81 -5.975 0.191 -4.308 1.00 0.49 H new ATOM 0 HB3 GLU A 81 -6.537 -0.833 -3.002 1.00 0.49 H new ATOM 0 HG2 GLU A 81 -8.741 -0.996 -3.958 1.00 0.74 H new ATOM 0 HG3 GLU A 81 -8.401 0.267 -5.125 1.00 0.74 H new ATOM 981 N PHE A 82 -9.431 1.493 -1.939 1.00 0.34 N ATOM 982 CA PHE A 82 -10.537 1.243 -1.022 1.00 0.32 C ATOM 983 C PHE A 82 -11.691 0.590 -1.776 1.00 0.33 C ATOM 984 O PHE A 82 -12.188 1.138 -2.756 1.00 0.42 O ATOM 985 CB PHE A 82 -10.992 2.559 -0.382 1.00 0.35 C ATOM 986 CG PHE A 82 -12.014 2.394 0.708 1.00 0.34 C ATOM 987 CD1 PHE A 82 -11.675 1.791 1.909 1.00 0.43 C ATOM 988 CD2 PHE A 82 -13.309 2.847 0.535 1.00 0.44 C ATOM 989 CE1 PHE A 82 -12.612 1.643 2.916 1.00 0.48 C ATOM 990 CE2 PHE A 82 -14.251 2.701 1.537 1.00 0.47 C ATOM 991 CZ PHE A 82 -13.901 2.098 2.728 1.00 0.43 C ATOM 0 H PHE A 82 -9.627 2.197 -2.651 1.00 0.34 H new ATOM 0 HA PHE A 82 -10.207 0.569 -0.232 1.00 0.32 H new ATOM 0 HB2 PHE A 82 -10.121 3.071 0.027 1.00 0.35 H new ATOM 0 HB3 PHE A 82 -11.406 3.203 -1.158 1.00 0.35 H new ATOM 0 HD1 PHE A 82 -10.668 1.432 2.061 1.00 0.43 H new ATOM 0 HD2 PHE A 82 -13.588 3.321 -0.394 1.00 0.44 H new ATOM 0 HE1 PHE A 82 -12.335 1.172 3.848 1.00 0.48 H new ATOM 0 HE2 PHE A 82 -15.259 3.058 1.388 1.00 0.47 H new ATOM 0 HZ PHE A 82 -14.635 1.982 3.512 1.00 0.43 H new ATOM 1001 N LYS A 83 -12.109 -0.588 -1.340 1.00 0.34 N ATOM 1002 CA LYS A 83 -13.198 -1.286 -2.006 1.00 0.38 C ATOM 1003 C LYS A 83 -14.017 -2.109 -1.021 1.00 0.37 C ATOM 1004 O LYS A 83 -13.711 -2.159 0.169 1.00 0.38 O ATOM 1005 CB LYS A 83 -12.654 -2.176 -3.130 1.00 0.46 C ATOM 1006 CG LYS A 83 -11.531 -3.105 -2.699 1.00 0.53 C ATOM 1007 CD LYS A 83 -10.776 -3.639 -3.904 1.00 0.69 C ATOM 1008 CE LYS A 83 -9.702 -4.637 -3.503 1.00 1.06 C ATOM 1009 NZ LYS A 83 -8.858 -5.022 -4.662 1.00 1.44 N ATOM 0 H LYS A 83 -11.716 -1.077 -0.536 1.00 0.34 H new ATOM 0 HA LYS A 83 -13.859 -0.536 -2.441 1.00 0.38 H new ATOM 0 HB2 LYS A 83 -13.471 -2.774 -3.533 1.00 0.46 H new ATOM 0 HB3 LYS A 83 -12.295 -1.541 -3.940 1.00 0.46 H new ATOM 0 HG2 LYS A 83 -10.844 -2.571 -2.042 1.00 0.53 H new ATOM 0 HG3 LYS A 83 -11.941 -3.936 -2.125 1.00 0.53 H new ATOM 0 HD2 LYS A 83 -11.477 -4.116 -4.590 1.00 0.69 H new ATOM 0 HD3 LYS A 83 -10.318 -2.809 -4.442 1.00 0.69 H new ATOM 0 HE2 LYS A 83 -9.075 -4.205 -2.723 1.00 1.06 H new ATOM 0 HE3 LYS A 83 -10.170 -5.526 -3.081 1.00 1.06 H new ATOM 0 HZ1 LYS A 83 -8.457 -5.968 -4.500 1.00 1.44 H new ATOM 0 HZ2 LYS A 83 -9.438 -5.035 -5.525 1.00 1.44 H new ATOM 0 HZ3 LYS A 83 -8.087 -4.333 -4.774 1.00 1.44 H new ATOM 1023 N ARG A 84 -15.064 -2.738 -1.531 1.00 0.42 N ATOM 1024 CA ARG A 84 -15.952 -3.551 -0.718 1.00 0.43 C ATOM 1025 C ARG A 84 -15.669 -5.032 -0.926 1.00 0.44 C ATOM 1026 O ARG A 84 -15.207 -5.439 -1.994 1.00 0.49 O ATOM 1027 CB ARG A 84 -17.408 -3.239 -1.082 1.00 0.47 C ATOM 1028 CG ARG A 84 -18.438 -3.927 -0.199 1.00 0.57 C ATOM 1029 CD ARG A 84 -19.840 -3.779 -0.768 1.00 0.61 C ATOM 1030 NE ARG A 84 -19.982 -4.484 -2.039 1.00 0.71 N ATOM 1031 CZ ARG A 84 -20.994 -5.296 -2.342 1.00 0.78 C ATOM 1032 NH1 ARG A 84 -21.971 -5.514 -1.466 1.00 0.88 N ATOM 1033 NH2 ARG A 84 -21.028 -5.892 -3.527 1.00 0.96 N ATOM 0 H ARG A 84 -15.321 -2.699 -2.517 1.00 0.42 H new ATOM 0 HA ARG A 84 -15.780 -3.315 0.332 1.00 0.43 H new ATOM 0 HB2 ARG A 84 -17.561 -2.161 -1.026 1.00 0.47 H new ATOM 0 HB3 ARG A 84 -17.582 -3.532 -2.118 1.00 0.47 H new ATOM 0 HG2 ARG A 84 -18.191 -4.984 -0.105 1.00 0.57 H new ATOM 0 HG3 ARG A 84 -18.403 -3.501 0.804 1.00 0.57 H new ATOM 0 HD2 ARG A 84 -20.566 -4.167 -0.053 1.00 0.61 H new ATOM 0 HD3 ARG A 84 -20.066 -2.722 -0.910 1.00 0.61 H new ATOM 0 HE ARG A 84 -19.257 -4.345 -2.743 1.00 0.71 H new ATOM 0 HH11 ARG A 84 -21.949 -5.058 -0.554 1.00 0.88 H new ATOM 0 HH12 ARG A 84 -22.742 -6.137 -1.706 1.00 0.88 H new ATOM 0 HH21 ARG A 84 -20.281 -5.728 -4.202 1.00 0.96 H new ATOM 0 HH22 ARG A 84 -21.801 -6.514 -3.763 1.00 0.96 H new ATOM 1047 N VAL A 85 -15.923 -5.822 0.106 1.00 0.45 N ATOM 1048 CA VAL A 85 -15.726 -7.259 0.045 1.00 0.49 C ATOM 1049 C VAL A 85 -17.075 -7.954 -0.100 1.00 0.55 C ATOM 1050 O VAL A 85 -17.832 -8.068 0.866 1.00 0.59 O ATOM 1051 CB VAL A 85 -15.014 -7.793 1.306 1.00 0.52 C ATOM 1052 CG1 VAL A 85 -14.670 -9.266 1.152 1.00 0.61 C ATOM 1053 CG2 VAL A 85 -13.762 -6.985 1.604 1.00 0.50 C ATOM 0 H VAL A 85 -16.270 -5.486 1.004 1.00 0.45 H new ATOM 0 HA VAL A 85 -15.094 -7.471 -0.818 1.00 0.49 H new ATOM 0 HB VAL A 85 -15.700 -7.687 2.147 1.00 0.52 H new ATOM 0 HG11 VAL A 85 -14.169 -9.619 2.053 1.00 0.61 H new ATOM 0 HG12 VAL A 85 -15.584 -9.839 0.997 1.00 0.61 H new ATOM 0 HG13 VAL A 85 -14.010 -9.398 0.295 1.00 0.61 H new ATOM 0 HG21 VAL A 85 -13.278 -7.380 2.497 1.00 0.50 H new ATOM 0 HG22 VAL A 85 -13.076 -7.052 0.759 1.00 0.50 H new ATOM 0 HG23 VAL A 85 -14.033 -5.942 1.770 1.00 0.50 H new ATOM 1063 N PRO A 86 -17.399 -8.418 -1.316 1.00 0.61 N ATOM 1064 CA PRO A 86 -18.668 -9.096 -1.588 1.00 0.69 C ATOM 1065 C PRO A 86 -18.652 -10.562 -1.162 1.00 0.68 C ATOM 1066 O PRO A 86 -19.595 -11.305 -1.419 1.00 0.77 O ATOM 1067 CB PRO A 86 -18.795 -8.976 -3.104 1.00 0.81 C ATOM 1068 CG PRO A 86 -17.394 -8.942 -3.610 1.00 0.80 C ATOM 1069 CD PRO A 86 -16.560 -8.311 -2.529 1.00 0.64 C ATOM 0 HA PRO A 86 -19.499 -8.658 -1.035 1.00 0.69 H new ATOM 0 HB2 PRO A 86 -19.344 -9.820 -3.521 1.00 0.81 H new ATOM 0 HB3 PRO A 86 -19.337 -8.073 -3.384 1.00 0.81 H new ATOM 0 HG2 PRO A 86 -17.039 -9.948 -3.835 1.00 0.80 H new ATOM 0 HG3 PRO A 86 -17.330 -8.367 -4.534 1.00 0.80 H new ATOM 0 HD2 PRO A 86 -15.610 -8.831 -2.404 1.00 0.64 H new ATOM 0 HD3 PRO A 86 -16.326 -7.272 -2.761 1.00 0.64 H new ATOM 1077 N GLN A 87 -17.572 -10.966 -0.502 1.00 0.67 N ATOM 1078 CA GLN A 87 -17.422 -12.342 -0.038 1.00 0.70 C ATOM 1079 C GLN A 87 -18.052 -12.507 1.342 1.00 0.70 C ATOM 1080 O GLN A 87 -18.069 -13.604 1.908 1.00 1.01 O ATOM 1081 CB GLN A 87 -15.939 -12.735 0.011 1.00 0.78 C ATOM 1082 CG GLN A 87 -15.169 -12.414 -1.262 1.00 0.91 C ATOM 1083 CD GLN A 87 -15.769 -13.057 -2.498 1.00 1.00 C ATOM 1084 OE1 GLN A 87 -16.552 -12.437 -3.216 1.00 1.05 O ATOM 1085 NE2 GLN A 87 -15.413 -14.305 -2.751 1.00 1.21 N ATOM 0 H GLN A 87 -16.785 -10.358 -0.275 1.00 0.67 H new ATOM 0 HA GLN A 87 -17.934 -12.999 -0.741 1.00 0.70 H new ATOM 0 HB2 GLN A 87 -15.466 -12.222 0.848 1.00 0.78 H new ATOM 0 HB3 GLN A 87 -15.864 -13.804 0.209 1.00 0.78 H new ATOM 0 HG2 GLN A 87 -15.140 -11.333 -1.400 1.00 0.91 H new ATOM 0 HG3 GLN A 87 -14.138 -12.748 -1.150 1.00 0.91 H new ATOM 0 HE21 GLN A 87 -14.761 -14.785 -2.131 1.00 1.21 H new ATOM 0 HE22 GLN A 87 -15.791 -14.788 -3.566 1.00 1.21 H new ATOM 1094 N CYS A 88 -18.554 -11.407 1.881 1.00 0.73 N ATOM 1095 CA CYS A 88 -19.193 -11.415 3.185 1.00 0.71 C ATOM 1096 C CYS A 88 -20.707 -11.293 3.031 1.00 0.71 C ATOM 1097 O CYS A 88 -21.186 -10.451 2.269 1.00 0.74 O ATOM 1098 CB CYS A 88 -18.658 -10.264 4.038 1.00 0.73 C ATOM 1099 SG CYS A 88 -16.860 -10.086 4.005 1.00 1.44 S ATOM 0 H CYS A 88 -18.530 -10.492 1.431 1.00 0.73 H new ATOM 0 HA CYS A 88 -18.966 -12.358 3.681 1.00 0.71 H new ATOM 0 HB2 CYS A 88 -19.110 -9.333 3.695 1.00 0.73 H new ATOM 0 HB3 CYS A 88 -18.978 -10.413 5.069 1.00 0.73 H new ATOM 0 HG CYS A 88 -16.473 -9.400 5.039 1.00 1.44 H new ATOM 1105 N PRO A 89 -21.474 -12.140 3.743 1.00 0.75 N ATOM 1106 CA PRO A 89 -22.944 -12.129 3.685 1.00 0.79 C ATOM 1107 C PRO A 89 -23.552 -10.747 3.921 1.00 0.74 C ATOM 1108 O PRO A 89 -24.524 -10.372 3.263 1.00 0.79 O ATOM 1109 CB PRO A 89 -23.350 -13.074 4.814 1.00 0.88 C ATOM 1110 CG PRO A 89 -22.189 -13.987 5.003 1.00 0.92 C ATOM 1111 CD PRO A 89 -20.962 -13.195 4.646 1.00 0.81 C ATOM 0 HA PRO A 89 -23.299 -12.423 2.697 1.00 0.79 H new ATOM 0 HB2 PRO A 89 -23.569 -12.522 5.728 1.00 0.88 H new ATOM 0 HB3 PRO A 89 -24.250 -13.632 4.555 1.00 0.88 H new ATOM 0 HG2 PRO A 89 -22.137 -14.340 6.033 1.00 0.92 H new ATOM 0 HG3 PRO A 89 -22.281 -14.868 4.368 1.00 0.92 H new ATOM 0 HD2 PRO A 89 -20.489 -12.769 5.531 1.00 0.81 H new ATOM 0 HD3 PRO A 89 -20.214 -13.816 4.152 1.00 0.81 H new ATOM 1119 N SER A 90 -22.980 -10.004 4.866 1.00 0.71 N ATOM 1120 CA SER A 90 -23.460 -8.663 5.200 1.00 0.71 C ATOM 1121 C SER A 90 -23.518 -7.767 3.969 1.00 0.65 C ATOM 1122 O SER A 90 -24.504 -7.061 3.749 1.00 0.72 O ATOM 1123 CB SER A 90 -22.545 -8.034 6.250 1.00 0.75 C ATOM 1124 OG SER A 90 -21.184 -8.269 5.936 1.00 0.85 O ATOM 0 H SER A 90 -22.178 -10.310 5.418 1.00 0.71 H new ATOM 0 HA SER A 90 -24.471 -8.757 5.597 1.00 0.71 H new ATOM 0 HB2 SER A 90 -22.730 -6.961 6.305 1.00 0.75 H new ATOM 0 HB3 SER A 90 -22.773 -8.448 7.232 1.00 0.75 H new ATOM 0 HG SER A 90 -20.660 -8.311 6.763 1.00 0.85 H new ATOM 1130 N GLY A 91 -22.452 -7.796 3.175 1.00 0.60 N ATOM 1131 CA GLY A 91 -22.393 -6.991 1.969 1.00 0.60 C ATOM 1132 C GLY A 91 -22.045 -5.540 2.244 1.00 0.57 C ATOM 1133 O GLY A 91 -22.067 -4.710 1.334 1.00 0.64 O ATOM 0 H GLY A 91 -21.624 -8.366 3.347 1.00 0.60 H new ATOM 0 HA2 GLY A 91 -21.652 -7.415 1.291 1.00 0.60 H new ATOM 0 HA3 GLY A 91 -23.355 -7.038 1.459 1.00 0.60 H new ATOM 1137 N ARG A 92 -21.711 -5.233 3.492 1.00 0.52 N ATOM 1138 CA ARG A 92 -21.363 -3.866 3.876 1.00 0.51 C ATOM 1139 C ARG A 92 -19.952 -3.792 4.448 1.00 0.48 C ATOM 1140 O ARG A 92 -19.590 -2.825 5.120 1.00 0.48 O ATOM 1141 CB ARG A 92 -22.369 -3.323 4.893 1.00 0.54 C ATOM 1142 CG ARG A 92 -23.783 -3.218 4.350 1.00 0.58 C ATOM 1143 CD ARG A 92 -24.642 -2.320 5.220 1.00 0.61 C ATOM 1144 NE ARG A 92 -24.519 -0.908 4.846 1.00 0.59 N ATOM 1145 CZ ARG A 92 -24.964 0.099 5.597 1.00 0.59 C ATOM 1146 NH1 ARG A 92 -25.551 -0.146 6.758 1.00 0.62 N ATOM 1147 NH2 ARG A 92 -24.826 1.351 5.187 1.00 0.60 N ATOM 0 H ARG A 92 -21.673 -5.909 4.255 1.00 0.52 H new ATOM 0 HA ARG A 92 -21.398 -3.251 2.977 1.00 0.51 H new ATOM 0 HB2 ARG A 92 -22.372 -3.970 5.770 1.00 0.54 H new ATOM 0 HB3 ARG A 92 -22.042 -2.338 5.225 1.00 0.54 H new ATOM 0 HG2 ARG A 92 -23.756 -2.826 3.333 1.00 0.58 H new ATOM 0 HG3 ARG A 92 -24.229 -4.211 4.297 1.00 0.58 H new ATOM 0 HD2 ARG A 92 -25.685 -2.627 5.138 1.00 0.61 H new ATOM 0 HD3 ARG A 92 -24.354 -2.444 6.264 1.00 0.61 H new ATOM 0 HE ARG A 92 -24.067 -0.683 3.960 1.00 0.59 H new ATOM 0 HH11 ARG A 92 -25.664 -1.107 7.080 1.00 0.62 H new ATOM 0 HH12 ARG A 92 -25.891 0.627 7.331 1.00 0.62 H new ATOM 0 HH21 ARG A 92 -24.377 1.548 4.292 1.00 0.60 H new ATOM 0 HH22 ARG A 92 -25.168 2.118 5.766 1.00 0.60 H new ATOM 1161 N VAL A 93 -19.158 -4.816 4.172 1.00 0.47 N ATOM 1162 CA VAL A 93 -17.785 -4.868 4.654 1.00 0.45 C ATOM 1163 C VAL A 93 -16.842 -4.265 3.621 1.00 0.41 C ATOM 1164 O VAL A 93 -16.696 -4.790 2.519 1.00 0.43 O ATOM 1165 CB VAL A 93 -17.347 -6.314 4.969 1.00 0.48 C ATOM 1166 CG1 VAL A 93 -15.861 -6.373 5.301 1.00 0.47 C ATOM 1167 CG2 VAL A 93 -18.172 -6.883 6.117 1.00 0.56 C ATOM 0 H VAL A 93 -19.441 -5.623 3.616 1.00 0.47 H new ATOM 0 HA VAL A 93 -17.739 -4.289 5.576 1.00 0.45 H new ATOM 0 HB VAL A 93 -17.521 -6.922 4.081 1.00 0.48 H new ATOM 0 HG11 VAL A 93 -15.578 -7.403 5.519 1.00 0.47 H new ATOM 0 HG12 VAL A 93 -15.284 -6.010 4.451 1.00 0.47 H new ATOM 0 HG13 VAL A 93 -15.657 -5.749 6.171 1.00 0.47 H new ATOM 0 HG21 VAL A 93 -17.850 -7.903 6.326 1.00 0.56 H new ATOM 0 HG22 VAL A 93 -18.031 -6.269 7.006 1.00 0.56 H new ATOM 0 HG23 VAL A 93 -19.227 -6.885 5.841 1.00 0.56 H new ATOM 1177 N TYR A 94 -16.229 -3.148 3.978 1.00 0.39 N ATOM 1178 CA TYR A 94 -15.295 -2.474 3.095 1.00 0.37 C ATOM 1179 C TYR A 94 -13.884 -2.637 3.639 1.00 0.35 C ATOM 1180 O TYR A 94 -13.701 -2.845 4.836 1.00 0.37 O ATOM 1181 CB TYR A 94 -15.662 -0.994 2.957 1.00 0.38 C ATOM 1182 CG TYR A 94 -16.884 -0.745 2.091 1.00 0.41 C ATOM 1183 CD1 TYR A 94 -18.160 -1.070 2.540 1.00 0.44 C ATOM 1184 CD2 TYR A 94 -16.761 -0.189 0.824 1.00 0.42 C ATOM 1185 CE1 TYR A 94 -19.276 -0.850 1.752 1.00 0.47 C ATOM 1186 CE2 TYR A 94 -17.873 0.037 0.029 1.00 0.46 C ATOM 1187 CZ TYR A 94 -19.129 -0.297 0.497 1.00 0.48 C ATOM 1188 OH TYR A 94 -20.238 -0.080 -0.291 1.00 0.53 O ATOM 0 H TYR A 94 -16.364 -2.688 4.878 1.00 0.39 H new ATOM 0 HA TYR A 94 -15.345 -2.922 2.102 1.00 0.37 H new ATOM 0 HB2 TYR A 94 -15.840 -0.579 3.949 1.00 0.38 H new ATOM 0 HB3 TYR A 94 -14.813 -0.456 2.535 1.00 0.38 H new ATOM 0 HD1 TYR A 94 -18.282 -1.502 3.522 1.00 0.44 H new ATOM 0 HD2 TYR A 94 -15.781 0.072 0.452 1.00 0.42 H new ATOM 0 HE1 TYR A 94 -20.258 -1.110 2.118 1.00 0.47 H new ATOM 0 HE2 TYR A 94 -17.758 0.473 -0.953 1.00 0.46 H new ATOM 0 HH TYR A 94 -20.042 -0.349 -1.213 1.00 0.53 H new ATOM 1198 N VAL A 95 -12.888 -2.552 2.773 1.00 0.34 N ATOM 1199 CA VAL A 95 -11.512 -2.723 3.202 1.00 0.33 C ATOM 1200 C VAL A 95 -10.574 -1.737 2.513 1.00 0.31 C ATOM 1201 O VAL A 95 -10.670 -1.492 1.307 1.00 0.31 O ATOM 1202 CB VAL A 95 -11.025 -4.172 2.948 1.00 0.36 C ATOM 1203 CG1 VAL A 95 -11.116 -4.532 1.471 1.00 0.38 C ATOM 1204 CG2 VAL A 95 -9.606 -4.368 3.464 1.00 0.38 C ATOM 0 H VAL A 95 -13.006 -2.367 1.777 1.00 0.34 H new ATOM 0 HA VAL A 95 -11.490 -2.522 4.273 1.00 0.33 H new ATOM 0 HB VAL A 95 -11.683 -4.844 3.499 1.00 0.36 H new ATOM 0 HG11 VAL A 95 -10.768 -5.554 1.324 1.00 0.38 H new ATOM 0 HG12 VAL A 95 -12.151 -4.450 1.140 1.00 0.38 H new ATOM 0 HG13 VAL A 95 -10.494 -3.850 0.891 1.00 0.38 H new ATOM 0 HG21 VAL A 95 -9.288 -5.393 3.274 1.00 0.38 H new ATOM 0 HG22 VAL A 95 -8.934 -3.679 2.952 1.00 0.38 H new ATOM 0 HG23 VAL A 95 -9.578 -4.173 4.536 1.00 0.38 H new ATOM 1214 N LEU A 96 -9.690 -1.153 3.306 1.00 0.31 N ATOM 1215 CA LEU A 96 -8.694 -0.227 2.804 1.00 0.30 C ATOM 1216 C LEU A 96 -7.395 -0.993 2.605 1.00 0.30 C ATOM 1217 O LEU A 96 -6.713 -1.342 3.573 1.00 0.38 O ATOM 1218 CB LEU A 96 -8.496 0.934 3.786 1.00 0.34 C ATOM 1219 CG LEU A 96 -7.473 1.991 3.355 1.00 0.37 C ATOM 1220 CD1 LEU A 96 -7.939 2.701 2.095 1.00 0.43 C ATOM 1221 CD2 LEU A 96 -7.233 2.990 4.476 1.00 0.44 C ATOM 0 H LEU A 96 -9.645 -1.309 4.313 1.00 0.31 H new ATOM 0 HA LEU A 96 -9.022 0.200 1.856 1.00 0.30 H new ATOM 0 HB2 LEU A 96 -9.457 1.425 3.941 1.00 0.34 H new ATOM 0 HB3 LEU A 96 -8.188 0.525 4.748 1.00 0.34 H new ATOM 0 HG LEU A 96 -6.530 1.489 3.137 1.00 0.37 H new ATOM 0 HD11 LEU A 96 -7.200 3.448 1.804 1.00 0.43 H new ATOM 0 HD12 LEU A 96 -8.057 1.975 1.291 1.00 0.43 H new ATOM 0 HD13 LEU A 96 -8.894 3.190 2.285 1.00 0.43 H new ATOM 0 HD21 LEU A 96 -6.504 3.733 4.152 1.00 0.44 H new ATOM 0 HD22 LEU A 96 -8.170 3.487 4.727 1.00 0.44 H new ATOM 0 HD23 LEU A 96 -6.853 2.468 5.354 1.00 0.44 H new ATOM 1233 N LYS A 97 -7.075 -1.277 1.355 1.00 0.29 N ATOM 1234 CA LYS A 97 -5.881 -2.033 1.030 1.00 0.33 C ATOM 1235 C LYS A 97 -4.809 -1.138 0.427 1.00 0.26 C ATOM 1236 O LYS A 97 -5.015 -0.504 -0.609 1.00 0.32 O ATOM 1237 CB LYS A 97 -6.234 -3.167 0.062 1.00 0.45 C ATOM 1238 CG LYS A 97 -5.065 -4.073 -0.289 1.00 0.51 C ATOM 1239 CD LYS A 97 -5.542 -5.346 -0.966 1.00 0.74 C ATOM 1240 CE LYS A 97 -4.381 -6.197 -1.460 1.00 0.80 C ATOM 1241 NZ LYS A 97 -3.637 -5.537 -2.567 1.00 0.89 N ATOM 0 H LYS A 97 -7.628 -0.994 0.546 1.00 0.29 H new ATOM 0 HA LYS A 97 -5.481 -2.456 1.951 1.00 0.33 H new ATOM 0 HB2 LYS A 97 -7.028 -3.771 0.501 1.00 0.45 H new ATOM 0 HB3 LYS A 97 -6.633 -2.735 -0.856 1.00 0.45 H new ATOM 0 HG2 LYS A 97 -4.376 -3.544 -0.947 1.00 0.51 H new ATOM 0 HG3 LYS A 97 -4.512 -4.324 0.616 1.00 0.51 H new ATOM 0 HD2 LYS A 97 -6.144 -5.925 -0.266 1.00 0.74 H new ATOM 0 HD3 LYS A 97 -6.187 -5.090 -1.806 1.00 0.74 H new ATOM 0 HE2 LYS A 97 -3.699 -6.395 -0.633 1.00 0.80 H new ATOM 0 HE3 LYS A 97 -4.758 -7.161 -1.801 1.00 0.80 H new ATOM 0 HZ1 LYS A 97 -3.016 -6.231 -3.030 1.00 0.89 H new ATOM 0 HZ2 LYS A 97 -4.312 -5.158 -3.262 1.00 0.89 H new ATOM 0 HZ3 LYS A 97 -3.062 -4.760 -2.184 1.00 0.89 H new ATOM 1255 N PHE A 98 -3.669 -1.076 1.093 1.00 0.29 N ATOM 1256 CA PHE A 98 -2.555 -0.276 0.617 1.00 0.30 C ATOM 1257 C PHE A 98 -1.789 -1.042 -0.452 1.00 0.33 C ATOM 1258 O PHE A 98 -1.668 -2.266 -0.381 1.00 0.45 O ATOM 1259 CB PHE A 98 -1.626 0.091 1.776 1.00 0.39 C ATOM 1260 CG PHE A 98 -2.169 1.174 2.663 1.00 0.44 C ATOM 1261 CD1 PHE A 98 -3.113 0.884 3.635 1.00 0.61 C ATOM 1262 CD2 PHE A 98 -1.728 2.480 2.531 1.00 0.57 C ATOM 1263 CE1 PHE A 98 -3.605 1.879 4.459 1.00 0.76 C ATOM 1264 CE2 PHE A 98 -2.217 3.479 3.349 1.00 0.72 C ATOM 1265 CZ PHE A 98 -3.157 3.176 4.315 1.00 0.77 C ATOM 0 H PHE A 98 -3.491 -1.571 1.967 1.00 0.29 H new ATOM 0 HA PHE A 98 -2.943 0.646 0.184 1.00 0.30 H new ATOM 0 HB2 PHE A 98 -1.439 -0.799 2.377 1.00 0.39 H new ATOM 0 HB3 PHE A 98 -0.665 0.411 1.373 1.00 0.39 H new ATOM 0 HD1 PHE A 98 -3.468 -0.130 3.750 1.00 0.61 H new ATOM 0 HD2 PHE A 98 -0.992 2.720 1.778 1.00 0.57 H new ATOM 0 HE1 PHE A 98 -4.339 1.641 5.215 1.00 0.76 H new ATOM 0 HE2 PHE A 98 -1.866 4.494 3.234 1.00 0.72 H new ATOM 0 HZ PHE A 98 -3.541 3.954 4.958 1.00 0.77 H new ATOM 1275 N LYS A 99 -1.272 -0.322 -1.434 1.00 0.40 N ATOM 1276 CA LYS A 99 -0.529 -0.936 -2.524 1.00 0.48 C ATOM 1277 C LYS A 99 0.969 -0.878 -2.247 1.00 0.54 C ATOM 1278 O LYS A 99 1.789 -1.063 -3.147 1.00 0.82 O ATOM 1279 CB LYS A 99 -0.854 -0.244 -3.852 1.00 0.54 C ATOM 1280 CG LYS A 99 -2.341 -0.194 -4.168 1.00 0.70 C ATOM 1281 CD LYS A 99 -2.597 0.355 -5.562 1.00 0.73 C ATOM 1282 CE LYS A 99 -4.084 0.383 -5.879 1.00 0.91 C ATOM 1283 NZ LYS A 99 -4.348 0.661 -7.314 1.00 1.11 N ATOM 0 H LYS A 99 -1.353 0.693 -1.499 1.00 0.40 H new ATOM 0 HA LYS A 99 -0.827 -1.982 -2.598 1.00 0.48 H new ATOM 0 HB2 LYS A 99 -0.463 0.773 -3.827 1.00 0.54 H new ATOM 0 HB3 LYS A 99 -0.338 -0.764 -4.659 1.00 0.54 H new ATOM 0 HG2 LYS A 99 -2.765 -1.195 -4.087 1.00 0.70 H new ATOM 0 HG3 LYS A 99 -2.850 0.428 -3.432 1.00 0.70 H new ATOM 0 HD2 LYS A 99 -2.187 1.362 -5.640 1.00 0.73 H new ATOM 0 HD3 LYS A 99 -2.077 -0.258 -6.298 1.00 0.73 H new ATOM 0 HE2 LYS A 99 -4.529 -0.574 -5.609 1.00 0.91 H new ATOM 0 HE3 LYS A 99 -4.569 1.144 -5.268 1.00 0.91 H new ATOM 0 HZ1 LYS A 99 -5.374 0.670 -7.483 1.00 1.11 H new ATOM 0 HZ2 LYS A 99 -3.947 1.586 -7.568 1.00 1.11 H new ATOM 0 HZ3 LYS A 99 -3.908 -0.079 -7.898 1.00 1.11 H new ATOM 1297 N ALA A 100 1.313 -0.612 -0.996 1.00 0.55 N ATOM 1298 CA ALA A 100 2.705 -0.536 -0.585 1.00 0.63 C ATOM 1299 C ALA A 100 3.085 -1.785 0.203 1.00 0.62 C ATOM 1300 O ALA A 100 3.740 -2.688 -0.320 1.00 1.36 O ATOM 1301 CB ALA A 100 2.954 0.717 0.243 1.00 0.89 C ATOM 0 H ALA A 100 0.643 -0.445 -0.245 1.00 0.55 H new ATOM 0 HA ALA A 100 3.330 -0.481 -1.477 1.00 0.63 H new ATOM 0 HB1 ALA A 100 4.002 0.754 0.540 1.00 0.89 H new ATOM 0 HB2 ALA A 100 2.714 1.599 -0.351 1.00 0.89 H new ATOM 0 HB3 ALA A 100 2.325 0.696 1.133 1.00 0.89 H new ATOM 1307 N GLY A 101 2.649 -1.840 1.451 1.00 0.78 N ATOM 1308 CA GLY A 101 2.945 -2.982 2.292 1.00 0.83 C ATOM 1309 C GLY A 101 1.700 -3.789 2.608 1.00 0.73 C ATOM 1310 O GLY A 101 0.612 -3.474 2.115 1.00 1.06 O ATOM 0 H GLY A 101 2.093 -1.112 1.899 1.00 0.78 H new ATOM 0 HA2 GLY A 101 3.675 -3.620 1.794 1.00 0.83 H new ATOM 0 HA3 GLY A 101 3.402 -2.640 3.221 1.00 0.83 H new ATOM 1314 N SER A 102 1.850 -4.811 3.434 1.00 0.51 N ATOM 1315 CA SER A 102 0.735 -5.663 3.822 1.00 0.48 C ATOM 1316 C SER A 102 -0.142 -4.968 4.867 1.00 0.52 C ATOM 1317 O SER A 102 -0.141 -5.333 6.045 1.00 1.13 O ATOM 1318 CB SER A 102 1.261 -6.992 4.369 1.00 0.60 C ATOM 1319 OG SER A 102 2.185 -7.587 3.469 1.00 1.00 O ATOM 0 H SER A 102 2.742 -5.074 3.853 1.00 0.51 H new ATOM 0 HA SER A 102 0.124 -5.857 2.941 1.00 0.48 H new ATOM 0 HB2 SER A 102 1.743 -6.827 5.333 1.00 0.60 H new ATOM 0 HB3 SER A 102 0.427 -7.673 4.542 1.00 0.60 H new ATOM 0 HG SER A 102 2.507 -8.434 3.843 1.00 1.00 H new ATOM 1325 N LYS A 103 -0.872 -3.955 4.426 1.00 0.42 N ATOM 1326 CA LYS A 103 -1.758 -3.200 5.301 1.00 0.42 C ATOM 1327 C LYS A 103 -3.181 -3.257 4.769 1.00 0.39 C ATOM 1328 O LYS A 103 -3.467 -2.747 3.683 1.00 0.44 O ATOM 1329 CB LYS A 103 -1.292 -1.746 5.407 1.00 0.52 C ATOM 1330 CG LYS A 103 -1.206 -1.229 6.835 1.00 0.60 C ATOM 1331 CD LYS A 103 -0.687 0.199 6.874 1.00 0.79 C ATOM 1332 CE LYS A 103 -0.549 0.711 8.300 1.00 0.93 C ATOM 1333 NZ LYS A 103 0.567 0.051 9.027 1.00 1.17 N ATOM 0 H LYS A 103 -0.868 -3.634 3.458 1.00 0.42 H new ATOM 0 HA LYS A 103 -1.732 -3.645 6.296 1.00 0.42 H new ATOM 0 HB2 LYS A 103 -0.312 -1.654 4.938 1.00 0.52 H new ATOM 0 HB3 LYS A 103 -1.977 -1.113 4.842 1.00 0.52 H new ATOM 0 HG2 LYS A 103 -2.191 -1.273 7.300 1.00 0.60 H new ATOM 0 HG3 LYS A 103 -0.549 -1.873 7.419 1.00 0.60 H new ATOM 0 HD2 LYS A 103 0.281 0.248 6.375 1.00 0.79 H new ATOM 0 HD3 LYS A 103 -1.365 0.847 6.319 1.00 0.79 H new ATOM 0 HE2 LYS A 103 -0.383 1.788 8.283 1.00 0.93 H new ATOM 0 HE3 LYS A 103 -1.482 0.541 8.837 1.00 0.93 H new ATOM 0 HZ1 LYS A 103 0.689 0.500 9.957 1.00 1.17 H new ATOM 0 HZ2 LYS A 103 0.349 -0.958 9.156 1.00 1.17 H new ATOM 0 HZ3 LYS A 103 1.445 0.148 8.478 1.00 1.17 H new ATOM 1347 N ARG A 104 -4.059 -3.905 5.523 1.00 0.37 N ATOM 1348 CA ARG A 104 -5.460 -4.042 5.134 1.00 0.38 C ATOM 1349 C ARG A 104 -6.368 -3.775 6.325 1.00 0.37 C ATOM 1350 O ARG A 104 -6.428 -4.576 7.258 1.00 0.51 O ATOM 1351 CB ARG A 104 -5.746 -5.446 4.585 1.00 0.47 C ATOM 1352 CG ARG A 104 -4.920 -5.820 3.364 1.00 0.63 C ATOM 1353 CD ARG A 104 -3.632 -6.531 3.755 1.00 0.86 C ATOM 1354 NE ARG A 104 -2.718 -6.668 2.622 1.00 1.11 N ATOM 1355 CZ ARG A 104 -1.868 -7.681 2.468 1.00 1.40 C ATOM 1356 NH1 ARG A 104 -1.806 -8.649 3.374 1.00 1.85 N ATOM 1357 NH2 ARG A 104 -1.073 -7.720 1.411 1.00 1.70 N ATOM 0 H ARG A 104 -3.826 -4.347 6.412 1.00 0.37 H new ATOM 0 HA ARG A 104 -5.659 -3.311 4.351 1.00 0.38 H new ATOM 0 HB2 ARG A 104 -5.560 -6.176 5.373 1.00 0.47 H new ATOM 0 HB3 ARG A 104 -6.803 -5.515 4.329 1.00 0.47 H new ATOM 0 HG2 ARG A 104 -5.508 -6.464 2.710 1.00 0.63 H new ATOM 0 HG3 ARG A 104 -4.682 -4.921 2.796 1.00 0.63 H new ATOM 0 HD2 ARG A 104 -3.139 -5.976 4.554 1.00 0.86 H new ATOM 0 HD3 ARG A 104 -3.869 -7.518 4.152 1.00 0.86 H new ATOM 0 HE ARG A 104 -2.733 -5.942 1.905 1.00 1.11 H new ATOM 0 HH11 ARG A 104 -2.412 -8.620 4.194 1.00 1.85 H new ATOM 0 HH12 ARG A 104 -1.153 -9.422 3.250 1.00 1.85 H new ATOM 0 HH21 ARG A 104 -1.112 -6.975 0.716 1.00 1.70 H new ATOM 0 HH22 ARG A 104 -0.421 -8.495 1.291 1.00 1.70 H new ATOM 1371 N LEU A 105 -7.067 -2.652 6.294 1.00 0.33 N ATOM 1372 CA LEU A 105 -7.969 -2.289 7.380 1.00 0.34 C ATOM 1373 C LEU A 105 -9.420 -2.462 6.946 1.00 0.33 C ATOM 1374 O LEU A 105 -9.850 -1.877 5.953 1.00 0.39 O ATOM 1375 CB LEU A 105 -7.721 -0.846 7.832 1.00 0.37 C ATOM 1376 CG LEU A 105 -6.299 -0.545 8.315 1.00 0.50 C ATOM 1377 CD1 LEU A 105 -5.458 0.031 7.184 1.00 0.70 C ATOM 1378 CD2 LEU A 105 -6.332 0.413 9.493 1.00 0.82 C ATOM 0 H LEU A 105 -7.029 -1.976 5.531 1.00 0.33 H new ATOM 0 HA LEU A 105 -7.773 -2.953 8.222 1.00 0.34 H new ATOM 0 HB2 LEU A 105 -7.954 -0.178 7.003 1.00 0.37 H new ATOM 0 HB3 LEU A 105 -8.418 -0.610 8.637 1.00 0.37 H new ATOM 0 HG LEU A 105 -5.842 -1.479 8.640 1.00 0.50 H new ATOM 0 HD11 LEU A 105 -4.452 0.238 7.548 1.00 0.70 H new ATOM 0 HD12 LEU A 105 -5.408 -0.687 6.366 1.00 0.70 H new ATOM 0 HD13 LEU A 105 -5.912 0.956 6.827 1.00 0.70 H new ATOM 0 HD21 LEU A 105 -5.314 0.617 9.825 1.00 0.82 H new ATOM 0 HD22 LEU A 105 -6.809 1.345 9.191 1.00 0.82 H new ATOM 0 HD23 LEU A 105 -6.897 -0.035 10.310 1.00 0.82 H new ATOM 1390 N PHE A 106 -10.164 -3.273 7.683 1.00 0.34 N ATOM 1391 CA PHE A 106 -11.562 -3.528 7.368 1.00 0.34 C ATOM 1392 C PHE A 106 -12.484 -2.582 8.133 1.00 0.35 C ATOM 1393 O PHE A 106 -12.248 -2.276 9.306 1.00 0.37 O ATOM 1394 CB PHE A 106 -11.930 -4.977 7.696 1.00 0.38 C ATOM 1395 CG PHE A 106 -11.252 -6.005 6.829 1.00 0.40 C ATOM 1396 CD1 PHE A 106 -9.978 -6.459 7.137 1.00 0.46 C ATOM 1397 CD2 PHE A 106 -11.894 -6.523 5.718 1.00 0.44 C ATOM 1398 CE1 PHE A 106 -9.359 -7.408 6.347 1.00 0.52 C ATOM 1399 CE2 PHE A 106 -11.279 -7.473 4.926 1.00 0.50 C ATOM 1400 CZ PHE A 106 -10.010 -7.916 5.240 1.00 0.52 C ATOM 0 H PHE A 106 -9.821 -3.768 8.507 1.00 0.34 H new ATOM 0 HA PHE A 106 -11.695 -3.354 6.300 1.00 0.34 H new ATOM 0 HB2 PHE A 106 -11.678 -5.176 8.738 1.00 0.38 H new ATOM 0 HB3 PHE A 106 -13.009 -5.095 7.601 1.00 0.38 H new ATOM 0 HD1 PHE A 106 -9.465 -6.067 8.003 1.00 0.46 H new ATOM 0 HD2 PHE A 106 -12.887 -6.181 5.467 1.00 0.44 H new ATOM 0 HE1 PHE A 106 -8.366 -7.753 6.595 1.00 0.52 H new ATOM 0 HE2 PHE A 106 -11.791 -7.869 4.061 1.00 0.50 H new ATOM 0 HZ PHE A 106 -9.527 -8.658 4.621 1.00 0.52 H new ATOM 1410 N PHE A 107 -13.526 -2.119 7.457 1.00 0.35 N ATOM 1411 CA PHE A 107 -14.508 -1.220 8.050 1.00 0.37 C ATOM 1412 C PHE A 107 -15.909 -1.636 7.620 1.00 0.39 C ATOM 1413 O PHE A 107 -16.126 -1.978 6.458 1.00 0.48 O ATOM 1414 CB PHE A 107 -14.262 0.227 7.609 1.00 0.36 C ATOM 1415 CG PHE A 107 -12.934 0.792 8.029 1.00 0.35 C ATOM 1416 CD1 PHE A 107 -12.745 1.268 9.316 1.00 0.41 C ATOM 1417 CD2 PHE A 107 -11.879 0.857 7.133 1.00 0.38 C ATOM 1418 CE1 PHE A 107 -11.527 1.798 9.701 1.00 0.46 C ATOM 1419 CE2 PHE A 107 -10.661 1.381 7.512 1.00 0.43 C ATOM 1420 CZ PHE A 107 -10.483 1.853 8.798 1.00 0.46 C ATOM 0 H PHE A 107 -13.715 -2.355 6.483 1.00 0.35 H new ATOM 0 HA PHE A 107 -14.413 -1.280 9.134 1.00 0.37 H new ATOM 0 HB2 PHE A 107 -14.337 0.280 6.523 1.00 0.36 H new ATOM 0 HB3 PHE A 107 -15.054 0.856 8.014 1.00 0.36 H new ATOM 0 HD1 PHE A 107 -13.557 1.225 10.026 1.00 0.41 H new ATOM 0 HD2 PHE A 107 -12.012 0.493 6.125 1.00 0.38 H new ATOM 0 HE1 PHE A 107 -11.392 2.168 10.706 1.00 0.46 H new ATOM 0 HE2 PHE A 107 -9.847 1.422 6.804 1.00 0.43 H new ATOM 0 HZ PHE A 107 -9.530 2.264 9.097 1.00 0.46 H new ATOM 1430 N TRP A 108 -16.855 -1.622 8.546 1.00 0.41 N ATOM 1431 CA TRP A 108 -18.223 -1.984 8.215 1.00 0.43 C ATOM 1432 C TRP A 108 -19.133 -0.766 8.352 1.00 0.45 C ATOM 1433 O TRP A 108 -19.142 -0.090 9.381 1.00 0.45 O ATOM 1434 CB TRP A 108 -18.720 -3.170 9.062 1.00 0.45 C ATOM 1435 CG TRP A 108 -18.749 -2.943 10.545 1.00 0.48 C ATOM 1436 CD1 TRP A 108 -17.687 -2.938 11.405 1.00 0.51 C ATOM 1437 CD2 TRP A 108 -19.913 -2.724 11.348 1.00 0.55 C ATOM 1438 NE1 TRP A 108 -18.124 -2.722 12.690 1.00 0.58 N ATOM 1439 CE2 TRP A 108 -19.483 -2.591 12.680 1.00 0.60 C ATOM 1440 CE3 TRP A 108 -21.280 -2.632 11.069 1.00 0.61 C ATOM 1441 CZ2 TRP A 108 -20.364 -2.361 13.728 1.00 0.70 C ATOM 1442 CZ3 TRP A 108 -22.156 -2.403 12.113 1.00 0.70 C ATOM 1443 CH2 TRP A 108 -21.694 -2.275 13.429 1.00 0.74 C ATOM 0 H TRP A 108 -16.703 -1.367 9.522 1.00 0.41 H new ATOM 0 HA TRP A 108 -18.250 -2.315 7.177 1.00 0.43 H new ATOM 0 HB2 TRP A 108 -19.726 -3.431 8.733 1.00 0.45 H new ATOM 0 HB3 TRP A 108 -18.084 -4.031 8.857 1.00 0.45 H new ATOM 0 HD1 TRP A 108 -16.656 -3.083 11.117 1.00 0.51 H new ATOM 0 HE1 TRP A 108 -17.529 -2.668 13.517 1.00 0.58 H new ATOM 0 HE3 TRP A 108 -21.644 -2.738 10.058 1.00 0.61 H new ATOM 0 HZ2 TRP A 108 -20.011 -2.254 14.743 1.00 0.70 H new ATOM 0 HZ3 TRP A 108 -23.214 -2.321 11.911 1.00 0.70 H new ATOM 0 HH2 TRP A 108 -22.405 -2.105 14.224 1.00 0.74 H new ATOM 1454 N MET A 109 -19.874 -0.481 7.284 1.00 0.46 N ATOM 1455 CA MET A 109 -20.773 0.673 7.233 1.00 0.48 C ATOM 1456 C MET A 109 -21.816 0.646 8.348 1.00 0.50 C ATOM 1457 O MET A 109 -22.554 -0.329 8.508 1.00 0.51 O ATOM 1458 CB MET A 109 -21.473 0.738 5.872 1.00 0.50 C ATOM 1459 CG MET A 109 -20.527 0.988 4.709 1.00 0.50 C ATOM 1460 SD MET A 109 -19.776 2.627 4.761 1.00 0.58 S ATOM 1461 CE MET A 109 -18.746 2.574 3.293 1.00 0.60 C ATOM 0 H MET A 109 -19.870 -1.040 6.431 1.00 0.46 H new ATOM 0 HA MET A 109 -20.160 1.563 7.377 1.00 0.48 H new ATOM 0 HB2 MET A 109 -22.004 -0.198 5.702 1.00 0.50 H new ATOM 0 HB3 MET A 109 -22.222 1.530 5.896 1.00 0.50 H new ATOM 0 HG2 MET A 109 -19.741 0.233 4.717 1.00 0.50 H new ATOM 0 HG3 MET A 109 -21.072 0.872 3.772 1.00 0.50 H new ATOM 0 HE1 MET A 109 -18.215 3.520 3.187 1.00 0.60 H new ATOM 0 HE2 MET A 109 -18.025 1.761 3.383 1.00 0.60 H new ATOM 0 HE3 MET A 109 -19.371 2.409 2.416 1.00 0.60 H new ATOM 1471 N GLN A 110 -21.873 1.730 9.110 1.00 0.51 N ATOM 1472 CA GLN A 110 -22.822 1.850 10.207 1.00 0.53 C ATOM 1473 C GLN A 110 -23.959 2.789 9.827 1.00 0.56 C ATOM 1474 O GLN A 110 -24.810 3.120 10.655 1.00 0.61 O ATOM 1475 CB GLN A 110 -22.126 2.354 11.472 1.00 0.53 C ATOM 1476 CG GLN A 110 -21.216 1.320 12.111 1.00 0.51 C ATOM 1477 CD GLN A 110 -20.512 1.840 13.350 1.00 0.52 C ATOM 1478 OE1 GLN A 110 -20.251 3.038 13.477 1.00 0.55 O ATOM 1479 NE2 GLN A 110 -20.204 0.945 14.273 1.00 0.53 N ATOM 0 H GLN A 110 -21.269 2.543 8.987 1.00 0.51 H new ATOM 0 HA GLN A 110 -23.235 0.861 10.408 1.00 0.53 H new ATOM 0 HB2 GLN A 110 -21.541 3.241 11.227 1.00 0.53 H new ATOM 0 HB3 GLN A 110 -22.881 2.660 12.196 1.00 0.53 H new ATOM 0 HG2 GLN A 110 -21.803 0.440 12.375 1.00 0.51 H new ATOM 0 HG3 GLN A 110 -20.471 1.000 11.383 1.00 0.51 H new ATOM 0 HE21 GLN A 110 -20.438 -0.037 14.129 1.00 0.53 H new ATOM 0 HE22 GLN A 110 -19.733 1.237 15.129 1.00 0.53 H new ATOM 1488 N GLU A 111 -23.955 3.232 8.574 1.00 0.57 N ATOM 1489 CA GLU A 111 -24.993 4.122 8.071 1.00 0.60 C ATOM 1490 C GLU A 111 -26.336 3.397 8.050 1.00 0.63 C ATOM 1491 O GLU A 111 -26.406 2.232 7.657 1.00 0.64 O ATOM 1492 CB GLU A 111 -24.643 4.605 6.661 1.00 0.61 C ATOM 1493 CG GLU A 111 -23.495 5.601 6.616 1.00 0.62 C ATOM 1494 CD GLU A 111 -23.867 6.952 7.194 1.00 0.65 C ATOM 1495 OE1 GLU A 111 -24.987 7.439 6.918 1.00 0.73 O ATOM 1496 OE2 GLU A 111 -23.037 7.540 7.920 1.00 0.67 O ATOM 0 H GLU A 111 -23.242 2.988 7.887 1.00 0.57 H new ATOM 0 HA GLU A 111 -25.062 4.986 8.732 1.00 0.60 H new ATOM 0 HB2 GLU A 111 -24.387 3.743 6.046 1.00 0.61 H new ATOM 0 HB3 GLU A 111 -25.526 5.063 6.215 1.00 0.61 H new ATOM 0 HG2 GLU A 111 -22.647 5.196 7.168 1.00 0.62 H new ATOM 0 HG3 GLU A 111 -23.172 5.729 5.583 1.00 0.62 H new ATOM 1503 N PRO A 112 -27.415 4.067 8.479 1.00 0.67 N ATOM 1504 CA PRO A 112 -28.755 3.474 8.497 1.00 0.71 C ATOM 1505 C PRO A 112 -29.206 3.030 7.106 1.00 0.71 C ATOM 1506 O PRO A 112 -29.754 1.939 6.939 1.00 0.79 O ATOM 1507 CB PRO A 112 -29.654 4.598 9.030 1.00 0.77 C ATOM 1508 CG PRO A 112 -28.853 5.850 8.915 1.00 0.82 C ATOM 1509 CD PRO A 112 -27.411 5.444 8.997 1.00 0.71 C ATOM 0 HA PRO A 112 -28.791 2.573 9.109 1.00 0.71 H new ATOM 0 HB2 PRO A 112 -30.575 4.669 8.452 1.00 0.77 H new ATOM 0 HB3 PRO A 112 -29.941 4.411 10.065 1.00 0.77 H new ATOM 0 HG2 PRO A 112 -29.060 6.357 7.973 1.00 0.82 H new ATOM 0 HG3 PRO A 112 -29.106 6.547 9.714 1.00 0.82 H new ATOM 0 HD2 PRO A 112 -26.775 6.097 8.399 1.00 0.71 H new ATOM 0 HD3 PRO A 112 -27.039 5.487 10.021 1.00 0.71 H new ATOM 1517 N LYS A 113 -28.951 3.863 6.106 1.00 0.72 N ATOM 1518 CA LYS A 113 -29.334 3.543 4.739 1.00 0.75 C ATOM 1519 C LYS A 113 -28.112 3.147 3.914 1.00 0.69 C ATOM 1520 O LYS A 113 -27.012 3.643 4.142 1.00 0.70 O ATOM 1521 CB LYS A 113 -30.041 4.729 4.077 1.00 0.86 C ATOM 1522 CG LYS A 113 -31.532 4.801 4.364 1.00 0.99 C ATOM 1523 CD LYS A 113 -31.829 5.723 5.538 1.00 1.05 C ATOM 1524 CE LYS A 113 -33.317 6.009 5.650 1.00 1.11 C ATOM 1525 NZ LYS A 113 -33.626 6.955 6.757 1.00 1.51 N ATOM 0 H LYS A 113 -28.482 4.762 6.216 1.00 0.72 H new ATOM 0 HA LYS A 113 -30.024 2.700 4.777 1.00 0.75 H new ATOM 0 HB2 LYS A 113 -29.572 5.653 4.415 1.00 0.86 H new ATOM 0 HB3 LYS A 113 -29.892 4.672 2.999 1.00 0.86 H new ATOM 0 HG2 LYS A 113 -32.058 5.157 3.478 1.00 0.99 H new ATOM 0 HG3 LYS A 113 -31.911 3.802 4.579 1.00 0.99 H new ATOM 0 HD2 LYS A 113 -31.473 5.266 6.462 1.00 1.05 H new ATOM 0 HD3 LYS A 113 -31.284 6.659 5.415 1.00 1.05 H new ATOM 0 HE2 LYS A 113 -33.677 6.424 4.709 1.00 1.11 H new ATOM 0 HE3 LYS A 113 -33.854 5.074 5.813 1.00 1.11 H new ATOM 0 HZ1 LYS A 113 -34.652 7.121 6.796 1.00 1.51 H new ATOM 0 HZ2 LYS A 113 -33.306 6.549 7.660 1.00 1.51 H new ATOM 0 HZ3 LYS A 113 -33.136 7.857 6.590 1.00 1.51 H new ATOM 1539 N THR A 114 -28.320 2.255 2.958 1.00 0.69 N ATOM 1540 CA THR A 114 -27.249 1.787 2.087 1.00 0.66 C ATOM 1541 C THR A 114 -27.192 2.629 0.816 1.00 0.67 C ATOM 1542 O THR A 114 -26.399 2.368 -0.091 1.00 0.69 O ATOM 1543 CB THR A 114 -27.480 0.317 1.699 1.00 0.70 C ATOM 1544 OG1 THR A 114 -28.862 0.123 1.370 1.00 0.90 O ATOM 1545 CG2 THR A 114 -27.100 -0.614 2.836 1.00 0.86 C ATOM 0 H THR A 114 -29.229 1.836 2.763 1.00 0.69 H new ATOM 0 HA THR A 114 -26.308 1.879 2.629 1.00 0.66 H new ATOM 0 HB THR A 114 -26.852 0.086 0.839 1.00 0.70 H new ATOM 0 HG1 THR A 114 -29.011 -0.813 1.121 1.00 0.90 H new ATOM 0 HG21 THR A 114 -27.274 -1.647 2.534 1.00 0.86 H new ATOM 0 HG22 THR A 114 -26.046 -0.479 3.080 1.00 0.86 H new ATOM 0 HG23 THR A 114 -27.707 -0.385 3.712 1.00 0.86 H new ATOM 1553 N ASP A 115 -28.035 3.652 0.784 1.00 0.69 N ATOM 1554 CA ASP A 115 -28.157 4.556 -0.357 1.00 0.72 C ATOM 1555 C ASP A 115 -26.862 5.293 -0.676 1.00 0.68 C ATOM 1556 O ASP A 115 -26.685 5.764 -1.795 1.00 0.72 O ATOM 1557 CB ASP A 115 -29.255 5.583 -0.093 1.00 0.79 C ATOM 1558 CG ASP A 115 -30.642 4.986 -0.182 1.00 0.94 C ATOM 1559 OD1 ASP A 115 -30.962 4.088 0.622 1.00 1.14 O ATOM 1560 OD2 ASP A 115 -31.423 5.416 -1.058 1.00 1.19 O ATOM 0 H ASP A 115 -28.661 3.882 1.556 1.00 0.69 H new ATOM 0 HA ASP A 115 -28.404 3.935 -1.218 1.00 0.72 H new ATOM 0 HB2 ASP A 115 -29.112 6.016 0.897 1.00 0.79 H new ATOM 0 HB3 ASP A 115 -29.167 6.397 -0.812 1.00 0.79 H new ATOM 1565 N GLN A 116 -25.970 5.410 0.299 1.00 0.66 N ATOM 1566 CA GLN A 116 -24.712 6.112 0.086 1.00 0.64 C ATOM 1567 C GLN A 116 -23.508 5.216 0.363 1.00 0.60 C ATOM 1568 O GLN A 116 -22.395 5.707 0.559 1.00 0.59 O ATOM 1569 CB GLN A 116 -24.653 7.358 0.978 1.00 0.70 C ATOM 1570 CG GLN A 116 -25.636 8.444 0.575 1.00 0.77 C ATOM 1571 CD GLN A 116 -25.219 9.163 -0.690 1.00 0.83 C ATOM 1572 OE1 GLN A 116 -25.550 8.743 -1.795 1.00 0.90 O ATOM 1573 NE2 GLN A 116 -24.487 10.259 -0.541 1.00 0.92 N ATOM 0 H GLN A 116 -26.093 5.031 1.238 1.00 0.66 H new ATOM 0 HA GLN A 116 -24.670 6.408 -0.962 1.00 0.64 H new ATOM 0 HB2 GLN A 116 -24.851 7.066 2.009 1.00 0.70 H new ATOM 0 HB3 GLN A 116 -23.643 7.766 0.951 1.00 0.70 H new ATOM 0 HG2 GLN A 116 -26.622 8.002 0.430 1.00 0.77 H new ATOM 0 HG3 GLN A 116 -25.727 9.166 1.386 1.00 0.77 H new ATOM 0 HE21 GLN A 116 -24.231 10.578 0.393 1.00 0.92 H new ATOM 0 HE22 GLN A 116 -24.180 10.783 -1.361 1.00 0.92 H new ATOM 1582 N ASP A 117 -23.724 3.905 0.359 1.00 0.59 N ATOM 1583 CA ASP A 117 -22.645 2.951 0.623 1.00 0.58 C ATOM 1584 C ASP A 117 -21.528 3.077 -0.408 1.00 0.55 C ATOM 1585 O ASP A 117 -20.386 3.405 -0.066 1.00 0.53 O ATOM 1586 CB ASP A 117 -23.180 1.513 0.655 1.00 0.60 C ATOM 1587 CG ASP A 117 -23.457 1.029 2.067 1.00 0.62 C ATOM 1588 OD1 ASP A 117 -23.369 1.850 3.007 1.00 0.67 O ATOM 1589 OD2 ASP A 117 -23.779 -0.168 2.250 1.00 0.64 O ATOM 0 H ASP A 117 -24.632 3.477 0.177 1.00 0.59 H new ATOM 0 HA ASP A 117 -22.231 3.189 1.603 1.00 0.58 H new ATOM 0 HB2 ASP A 117 -24.097 1.456 0.068 1.00 0.60 H new ATOM 0 HB3 ASP A 117 -22.457 0.849 0.182 1.00 0.60 H new ATOM 1594 N GLU A 118 -21.863 2.851 -1.671 1.00 0.56 N ATOM 1595 CA GLU A 118 -20.884 2.937 -2.745 1.00 0.56 C ATOM 1596 C GLU A 118 -20.422 4.376 -2.956 1.00 0.55 C ATOM 1597 O GLU A 118 -19.254 4.624 -3.255 1.00 0.55 O ATOM 1598 CB GLU A 118 -21.460 2.381 -4.044 1.00 0.59 C ATOM 1599 CG GLU A 118 -21.509 0.866 -4.076 1.00 0.62 C ATOM 1600 CD GLU A 118 -20.175 0.232 -3.738 1.00 0.64 C ATOM 1601 OE1 GLU A 118 -19.149 0.624 -4.334 1.00 0.85 O ATOM 1602 OE2 GLU A 118 -20.147 -0.676 -2.882 1.00 0.70 O ATOM 0 H GLU A 118 -22.805 2.607 -1.977 1.00 0.56 H new ATOM 0 HA GLU A 118 -20.021 2.337 -2.454 1.00 0.56 H new ATOM 0 HB2 GLU A 118 -22.467 2.774 -4.185 1.00 0.59 H new ATOM 0 HB3 GLU A 118 -20.860 2.736 -4.881 1.00 0.59 H new ATOM 0 HG2 GLU A 118 -22.263 0.516 -3.371 1.00 0.62 H new ATOM 0 HG3 GLU A 118 -21.823 0.537 -5.067 1.00 0.62 H new ATOM 1609 N GLU A 119 -21.344 5.319 -2.786 1.00 0.57 N ATOM 1610 CA GLU A 119 -21.035 6.734 -2.951 1.00 0.59 C ATOM 1611 C GLU A 119 -19.908 7.137 -2.004 1.00 0.56 C ATOM 1612 O GLU A 119 -18.975 7.839 -2.398 1.00 0.57 O ATOM 1613 CB GLU A 119 -22.283 7.589 -2.699 1.00 0.64 C ATOM 1614 CG GLU A 119 -22.027 9.093 -2.736 1.00 0.71 C ATOM 1615 CD GLU A 119 -21.632 9.608 -4.109 1.00 0.84 C ATOM 1616 OE1 GLU A 119 -21.275 8.796 -4.990 1.00 1.12 O ATOM 1617 OE2 GLU A 119 -21.671 10.840 -4.312 1.00 1.25 O ATOM 0 H GLU A 119 -22.313 5.127 -2.533 1.00 0.57 H new ATOM 0 HA GLU A 119 -20.707 6.904 -3.976 1.00 0.59 H new ATOM 0 HB2 GLU A 119 -23.037 7.341 -3.446 1.00 0.64 H new ATOM 0 HB3 GLU A 119 -22.700 7.326 -1.727 1.00 0.64 H new ATOM 0 HG2 GLU A 119 -22.926 9.614 -2.406 1.00 0.71 H new ATOM 0 HG3 GLU A 119 -21.238 9.337 -2.025 1.00 0.71 H new ATOM 1624 N HIS A 120 -19.993 6.676 -0.760 1.00 0.55 N ATOM 1625 CA HIS A 120 -18.969 6.974 0.234 1.00 0.54 C ATOM 1626 C HIS A 120 -17.643 6.372 -0.200 1.00 0.51 C ATOM 1627 O HIS A 120 -16.602 7.022 -0.123 1.00 0.52 O ATOM 1628 CB HIS A 120 -19.363 6.434 1.612 1.00 0.55 C ATOM 1629 CG HIS A 120 -20.348 7.293 2.345 1.00 0.59 C ATOM 1630 ND1 HIS A 120 -21.437 6.778 3.017 1.00 0.64 N ATOM 1631 CD2 HIS A 120 -20.397 8.633 2.526 1.00 0.71 C ATOM 1632 CE1 HIS A 120 -22.114 7.763 3.573 1.00 0.68 C ATOM 1633 NE2 HIS A 120 -21.502 8.896 3.295 1.00 0.74 N ATOM 0 H HIS A 120 -20.759 6.096 -0.417 1.00 0.55 H new ATOM 0 HA HIS A 120 -18.870 8.057 0.311 1.00 0.54 H new ATOM 0 HB2 HIS A 120 -19.785 5.436 1.493 1.00 0.55 H new ATOM 0 HB3 HIS A 120 -18.465 6.329 2.220 1.00 0.55 H new ATOM 0 HD2 HIS A 120 -19.698 9.359 2.138 1.00 0.71 H new ATOM 0 HE1 HIS A 120 -23.017 7.659 4.157 1.00 0.68 H new ATOM 0 HE2 HIS A 120 -21.802 9.821 3.603 1.00 0.74 H new ATOM 1642 N CYS A 121 -17.696 5.135 -0.686 1.00 0.49 N ATOM 1643 CA CYS A 121 -16.506 4.433 -1.151 1.00 0.48 C ATOM 1644 C CYS A 121 -15.863 5.176 -2.318 1.00 0.48 C ATOM 1645 O CYS A 121 -14.642 5.329 -2.377 1.00 0.47 O ATOM 1646 CB CYS A 121 -16.878 3.008 -1.572 1.00 0.49 C ATOM 1647 SG CYS A 121 -15.477 1.963 -2.039 1.00 0.48 S ATOM 0 H CYS A 121 -18.558 4.596 -0.768 1.00 0.49 H new ATOM 0 HA CYS A 121 -15.784 4.390 -0.335 1.00 0.48 H new ATOM 0 HB2 CYS A 121 -17.412 2.530 -0.751 1.00 0.49 H new ATOM 0 HB3 CYS A 121 -17.569 3.062 -2.413 1.00 0.49 H new ATOM 0 HG CYS A 121 -14.579 1.995 -1.099 1.00 0.48 H new ATOM 1653 N ARG A 122 -16.696 5.637 -3.244 1.00 0.51 N ATOM 1654 CA ARG A 122 -16.226 6.371 -4.409 1.00 0.54 C ATOM 1655 C ARG A 122 -15.565 7.678 -3.988 1.00 0.53 C ATOM 1656 O ARG A 122 -14.475 8.008 -4.452 1.00 0.54 O ATOM 1657 CB ARG A 122 -17.393 6.640 -5.356 1.00 0.59 C ATOM 1658 CG ARG A 122 -17.021 7.441 -6.590 1.00 0.85 C ATOM 1659 CD ARG A 122 -18.130 7.394 -7.630 1.00 0.89 C ATOM 1660 NE ARG A 122 -19.464 7.471 -7.022 1.00 1.09 N ATOM 1661 CZ ARG A 122 -20.470 6.640 -7.314 1.00 0.97 C ATOM 1662 NH1 ARG A 122 -20.308 5.668 -8.203 1.00 1.44 N ATOM 1663 NH2 ARG A 122 -21.642 6.779 -6.710 1.00 1.52 N ATOM 0 H ARG A 122 -17.708 5.513 -3.208 1.00 0.51 H new ATOM 0 HA ARG A 122 -15.482 5.768 -4.929 1.00 0.54 H new ATOM 0 HB2 ARG A 122 -17.819 5.687 -5.670 1.00 0.59 H new ATOM 0 HB3 ARG A 122 -18.172 7.173 -4.812 1.00 0.59 H new ATOM 0 HG2 ARG A 122 -16.825 8.476 -6.310 1.00 0.85 H new ATOM 0 HG3 ARG A 122 -16.100 7.047 -7.019 1.00 0.85 H new ATOM 0 HD2 ARG A 122 -18.004 8.219 -8.331 1.00 0.89 H new ATOM 0 HD3 ARG A 122 -18.047 6.472 -8.205 1.00 0.89 H new ATOM 0 HE ARG A 122 -19.634 8.204 -6.334 1.00 1.09 H new ATOM 0 HH11 ARG A 122 -19.409 5.549 -8.671 1.00 1.44 H new ATOM 0 HH12 ARG A 122 -21.082 5.040 -8.418 1.00 1.44 H new ATOM 0 HH21 ARG A 122 -21.777 7.520 -6.022 1.00 1.52 H new ATOM 0 HH22 ARG A 122 -22.409 6.145 -6.933 1.00 1.52 H new ATOM 1677 N LYS A 123 -16.231 8.411 -3.099 1.00 0.53 N ATOM 1678 CA LYS A 123 -15.706 9.678 -2.601 1.00 0.53 C ATOM 1679 C LYS A 123 -14.330 9.473 -1.982 1.00 0.51 C ATOM 1680 O LYS A 123 -13.388 10.205 -2.287 1.00 0.53 O ATOM 1681 CB LYS A 123 -16.644 10.286 -1.556 1.00 0.56 C ATOM 1682 CG LYS A 123 -17.874 10.955 -2.145 1.00 0.63 C ATOM 1683 CD LYS A 123 -18.650 11.710 -1.077 1.00 0.73 C ATOM 1684 CE LYS A 123 -19.705 12.615 -1.691 1.00 0.85 C ATOM 1685 NZ LYS A 123 -20.247 13.584 -0.702 1.00 1.12 N ATOM 0 H LYS A 123 -17.136 8.148 -2.709 1.00 0.53 H new ATOM 0 HA LYS A 123 -15.628 10.362 -3.446 1.00 0.53 H new ATOM 0 HB2 LYS A 123 -16.963 9.502 -0.869 1.00 0.56 H new ATOM 0 HB3 LYS A 123 -16.091 11.019 -0.968 1.00 0.56 H new ATOM 0 HG2 LYS A 123 -17.574 11.643 -2.936 1.00 0.63 H new ATOM 0 HG3 LYS A 123 -18.517 10.203 -2.603 1.00 0.63 H new ATOM 0 HD2 LYS A 123 -19.127 11.000 -0.402 1.00 0.73 H new ATOM 0 HD3 LYS A 123 -17.961 12.306 -0.478 1.00 0.73 H new ATOM 0 HE2 LYS A 123 -19.273 13.158 -2.532 1.00 0.85 H new ATOM 0 HE3 LYS A 123 -20.518 12.007 -2.088 1.00 0.85 H new ATOM 0 HZ1 LYS A 123 -20.964 14.183 -1.160 1.00 1.12 H new ATOM 0 HZ2 LYS A 123 -20.682 13.067 0.089 1.00 1.12 H new ATOM 0 HZ3 LYS A 123 -19.475 14.181 -0.342 1.00 1.12 H new ATOM 1699 N VAL A 124 -14.233 8.467 -1.122 1.00 0.48 N ATOM 1700 CA VAL A 124 -12.982 8.136 -0.451 1.00 0.46 C ATOM 1701 C VAL A 124 -11.875 7.880 -1.474 1.00 0.45 C ATOM 1702 O VAL A 124 -10.829 8.516 -1.433 1.00 0.45 O ATOM 1703 CB VAL A 124 -13.142 6.894 0.460 1.00 0.45 C ATOM 1704 CG1 VAL A 124 -11.796 6.411 0.982 1.00 0.43 C ATOM 1705 CG2 VAL A 124 -14.074 7.201 1.620 1.00 0.50 C ATOM 0 H VAL A 124 -15.014 7.861 -0.871 1.00 0.48 H new ATOM 0 HA VAL A 124 -12.709 8.989 0.171 1.00 0.46 H new ATOM 0 HB VAL A 124 -13.577 6.096 -0.142 1.00 0.45 H new ATOM 0 HG11 VAL A 124 -11.944 5.538 1.618 1.00 0.43 H new ATOM 0 HG12 VAL A 124 -11.155 6.143 0.142 1.00 0.43 H new ATOM 0 HG13 VAL A 124 -11.324 7.205 1.560 1.00 0.43 H new ATOM 0 HG21 VAL A 124 -14.175 6.317 2.250 1.00 0.50 H new ATOM 0 HG22 VAL A 124 -13.664 8.021 2.209 1.00 0.50 H new ATOM 0 HG23 VAL A 124 -15.053 7.485 1.235 1.00 0.50 H new ATOM 1715 N ASN A 125 -12.140 6.979 -2.410 1.00 0.46 N ATOM 1716 CA ASN A 125 -11.170 6.619 -3.445 1.00 0.48 C ATOM 1717 C ASN A 125 -10.685 7.835 -4.226 1.00 0.49 C ATOM 1718 O ASN A 125 -9.479 8.052 -4.375 1.00 0.52 O ATOM 1719 CB ASN A 125 -11.785 5.612 -4.418 1.00 0.50 C ATOM 1720 CG ASN A 125 -11.526 4.177 -4.017 1.00 0.51 C ATOM 1721 OD1 ASN A 125 -10.474 3.850 -3.463 1.00 0.69 O ATOM 1722 ND2 ASN A 125 -12.481 3.307 -4.302 1.00 0.77 N ATOM 0 H ASN A 125 -13.026 6.478 -2.477 1.00 0.46 H new ATOM 0 HA ASN A 125 -10.312 6.177 -2.938 1.00 0.48 H new ATOM 0 HB2 ASN A 125 -12.860 5.780 -4.476 1.00 0.50 H new ATOM 0 HB3 ASN A 125 -11.381 5.784 -5.416 1.00 0.50 H new ATOM 0 HD21 ASN A 125 -12.362 2.323 -4.062 1.00 0.77 H new ATOM 0 HD22 ASN A 125 -13.336 3.621 -4.761 1.00 0.77 H new ATOM 1729 N GLU A 126 -11.630 8.630 -4.709 1.00 0.52 N ATOM 1730 CA GLU A 126 -11.315 9.815 -5.499 1.00 0.56 C ATOM 1731 C GLU A 126 -10.506 10.840 -4.709 1.00 0.55 C ATOM 1732 O GLU A 126 -9.533 11.388 -5.214 1.00 0.64 O ATOM 1733 CB GLU A 126 -12.600 10.459 -6.018 1.00 0.64 C ATOM 1734 CG GLU A 126 -13.383 9.580 -6.979 1.00 0.76 C ATOM 1735 CD GLU A 126 -14.593 10.279 -7.562 1.00 0.91 C ATOM 1736 OE1 GLU A 126 -15.232 11.079 -6.845 1.00 1.30 O ATOM 1737 OE2 GLU A 126 -14.911 10.036 -8.747 1.00 1.27 O ATOM 0 H GLU A 126 -12.628 8.475 -4.567 1.00 0.52 H new ATOM 0 HA GLU A 126 -10.701 9.488 -6.338 1.00 0.56 H new ATOM 0 HB2 GLU A 126 -13.237 10.711 -5.170 1.00 0.64 H new ATOM 0 HB3 GLU A 126 -12.350 11.395 -6.518 1.00 0.64 H new ATOM 0 HG2 GLU A 126 -12.727 9.262 -7.790 1.00 0.76 H new ATOM 0 HG3 GLU A 126 -13.706 8.679 -6.458 1.00 0.76 H new ATOM 1744 N TYR A 127 -10.895 11.088 -3.467 1.00 0.53 N ATOM 1745 CA TYR A 127 -10.209 12.073 -2.636 1.00 0.55 C ATOM 1746 C TYR A 127 -8.867 11.561 -2.108 1.00 0.52 C ATOM 1747 O TYR A 127 -8.010 12.350 -1.710 1.00 0.60 O ATOM 1748 CB TYR A 127 -11.106 12.495 -1.478 1.00 0.59 C ATOM 1749 CG TYR A 127 -12.043 13.631 -1.823 1.00 0.62 C ATOM 1750 CD1 TYR A 127 -11.603 14.950 -1.796 1.00 0.73 C ATOM 1751 CD2 TYR A 127 -13.367 13.388 -2.178 1.00 0.69 C ATOM 1752 CE1 TYR A 127 -12.454 15.991 -2.113 1.00 0.79 C ATOM 1753 CE2 TYR A 127 -14.223 14.426 -2.497 1.00 0.74 C ATOM 1754 CZ TYR A 127 -13.762 15.724 -2.462 1.00 0.74 C ATOM 1755 OH TYR A 127 -14.607 16.764 -2.783 1.00 0.84 O ATOM 0 H TYR A 127 -11.680 10.623 -3.011 1.00 0.53 H new ATOM 0 HA TYR A 127 -9.995 12.936 -3.267 1.00 0.55 H new ATOM 0 HB2 TYR A 127 -11.693 11.636 -1.152 1.00 0.59 H new ATOM 0 HB3 TYR A 127 -10.482 12.793 -0.635 1.00 0.59 H new ATOM 0 HD1 TYR A 127 -10.580 15.164 -1.523 1.00 0.73 H new ATOM 0 HD2 TYR A 127 -13.732 12.372 -2.205 1.00 0.69 H new ATOM 0 HE1 TYR A 127 -12.097 17.010 -2.088 1.00 0.79 H new ATOM 0 HE2 TYR A 127 -15.247 14.221 -2.772 1.00 0.74 H new ATOM 0 HH TYR A 127 -15.493 16.409 -3.007 1.00 0.84 H new ATOM 1765 N LEU A 128 -8.685 10.249 -2.096 1.00 0.49 N ATOM 1766 CA LEU A 128 -7.440 9.665 -1.614 1.00 0.49 C ATOM 1767 C LEU A 128 -6.389 9.604 -2.722 1.00 0.53 C ATOM 1768 O LEU A 128 -5.228 9.943 -2.503 1.00 0.69 O ATOM 1769 CB LEU A 128 -7.676 8.251 -1.068 1.00 0.46 C ATOM 1770 CG LEU A 128 -8.457 8.163 0.248 1.00 0.42 C ATOM 1771 CD1 LEU A 128 -8.334 6.770 0.848 1.00 0.49 C ATOM 1772 CD2 LEU A 128 -7.986 9.216 1.240 1.00 0.44 C ATOM 0 H LEU A 128 -9.378 9.571 -2.412 1.00 0.49 H new ATOM 0 HA LEU A 128 -7.073 10.307 -0.813 1.00 0.49 H new ATOM 0 HB2 LEU A 128 -8.210 7.675 -1.824 1.00 0.46 H new ATOM 0 HB3 LEU A 128 -6.708 7.771 -0.926 1.00 0.46 H new ATOM 0 HG LEU A 128 -9.507 8.357 0.029 1.00 0.42 H new ATOM 0 HD11 LEU A 128 -8.894 6.725 1.782 1.00 0.49 H new ATOM 0 HD12 LEU A 128 -8.735 6.036 0.149 1.00 0.49 H new ATOM 0 HD13 LEU A 128 -7.285 6.550 1.044 1.00 0.49 H new ATOM 0 HD21 LEU A 128 -8.559 9.128 2.163 1.00 0.44 H new ATOM 0 HD22 LEU A 128 -6.928 9.067 1.454 1.00 0.44 H new ATOM 0 HD23 LEU A 128 -8.134 10.209 0.815 1.00 0.44 H new ATOM 1784 N ASN A 129 -6.808 9.177 -3.908 1.00 0.54 N ATOM 1785 CA ASN A 129 -5.892 9.037 -5.039 1.00 0.59 C ATOM 1786 C ASN A 129 -5.787 10.310 -5.878 1.00 0.65 C ATOM 1787 O ASN A 129 -4.871 10.441 -6.688 1.00 0.78 O ATOM 1788 CB ASN A 129 -6.331 7.867 -5.926 1.00 0.64 C ATOM 1789 CG ASN A 129 -5.694 6.550 -5.512 1.00 0.68 C ATOM 1790 OD1 ASN A 129 -4.484 6.472 -5.288 1.00 0.81 O ATOM 1791 ND2 ASN A 129 -6.503 5.508 -5.396 1.00 0.89 N ATOM 0 H ASN A 129 -7.774 8.922 -4.113 1.00 0.54 H new ATOM 0 HA ASN A 129 -4.903 8.843 -4.624 1.00 0.59 H new ATOM 0 HB2 ASN A 129 -7.416 7.771 -5.884 1.00 0.64 H new ATOM 0 HB3 ASN A 129 -6.070 8.083 -6.962 1.00 0.64 H new ATOM 0 HD21 ASN A 129 -6.130 4.602 -5.113 1.00 0.89 H new ATOM 0 HD22 ASN A 129 -7.499 5.612 -5.590 1.00 0.89 H new ATOM 1798 N ASN A 130 -6.711 11.242 -5.697 1.00 0.67 N ATOM 1799 CA ASN A 130 -6.688 12.491 -6.458 1.00 0.74 C ATOM 1800 C ASN A 130 -7.100 13.663 -5.581 1.00 0.80 C ATOM 1801 O ASN A 130 -8.157 14.274 -5.849 1.00 0.99 O ATOM 1802 CB ASN A 130 -7.608 12.414 -7.680 1.00 0.82 C ATOM 1803 CG ASN A 130 -6.941 11.772 -8.880 1.00 0.91 C ATOM 1804 OD1 ASN A 130 -6.207 12.425 -9.623 1.00 1.10 O ATOM 1805 ND2 ASN A 130 -7.199 10.490 -9.084 1.00 1.09 N ATOM 0 H ASN A 130 -7.483 11.162 -5.035 1.00 0.67 H new ATOM 0 HA ASN A 130 -5.665 12.645 -6.803 1.00 0.74 H new ATOM 0 HB2 ASN A 130 -8.502 11.847 -7.421 1.00 0.82 H new ATOM 0 HB3 ASN A 130 -7.935 13.419 -7.947 1.00 0.82 H new ATOM 0 HD21 ASN A 130 -6.784 10.007 -9.881 1.00 1.09 H new ATOM 0 HD22 ASN A 130 -7.813 9.985 -8.444 1.00 1.09 H new TER 1812 ASN A 130 ATOM 1813 N ALA B 26 37.114 -8.672 7.408 1.00 1.24 N ATOM 1814 CA ALA B 26 36.152 -7.900 8.227 1.00 1.15 C ATOM 1815 C ALA B 26 34.791 -7.853 7.546 1.00 1.06 C ATOM 1816 O ALA B 26 34.627 -7.198 6.517 1.00 1.08 O ATOM 1817 CB ALA B 26 36.668 -6.491 8.472 1.00 1.27 C ATOM 0 HA ALA B 26 36.043 -8.400 9.189 1.00 1.15 H new ATOM 0 HB1 ALA B 26 35.947 -5.939 9.076 1.00 1.27 H new ATOM 0 HB2 ALA B 26 37.621 -6.539 8.999 1.00 1.27 H new ATOM 0 HB3 ALA B 26 36.806 -5.983 7.518 1.00 1.27 H new ATOM 1825 N PRO B 27 33.802 -8.571 8.098 1.00 1.03 N ATOM 1826 CA PRO B 27 32.451 -8.614 7.536 1.00 0.98 C ATOM 1827 C PRO B 27 31.634 -7.375 7.897 1.00 0.96 C ATOM 1828 O PRO B 27 31.907 -6.706 8.894 1.00 1.05 O ATOM 1829 CB PRO B 27 31.856 -9.863 8.183 1.00 1.03 C ATOM 1830 CG PRO B 27 32.542 -9.986 9.496 1.00 1.15 C ATOM 1831 CD PRO B 27 33.919 -9.400 9.318 1.00 1.12 C ATOM 0 HA PRO B 27 32.453 -8.638 6.446 1.00 0.98 H new ATOM 0 HB2 PRO B 27 30.778 -9.765 8.310 1.00 1.03 H new ATOM 0 HB3 PRO B 27 32.026 -10.745 7.566 1.00 1.03 H new ATOM 0 HG2 PRO B 27 31.992 -9.454 10.272 1.00 1.15 H new ATOM 0 HG3 PRO B 27 32.602 -11.029 9.806 1.00 1.15 H new ATOM 0 HD2 PRO B 27 34.212 -8.801 10.180 1.00 1.12 H new ATOM 0 HD3 PRO B 27 34.672 -10.179 9.200 1.00 1.12 H new ATOM 1839 N ALA B 28 30.636 -7.075 7.084 1.00 0.95 N ATOM 1840 CA ALA B 28 29.782 -5.921 7.321 1.00 0.96 C ATOM 1841 C ALA B 28 28.314 -6.311 7.211 1.00 0.90 C ATOM 1842 O ALA B 28 27.469 -5.485 6.865 1.00 0.88 O ATOM 1843 CB ALA B 28 30.116 -4.806 6.342 1.00 1.04 C ATOM 0 H ALA B 28 30.396 -7.615 6.252 1.00 0.95 H new ATOM 0 HA ALA B 28 29.963 -5.557 8.332 1.00 0.96 H new ATOM 0 HB1 ALA B 28 29.469 -3.949 6.532 1.00 1.04 H new ATOM 0 HB2 ALA B 28 31.157 -4.510 6.470 1.00 1.04 H new ATOM 0 HB3 ALA B 28 29.962 -5.159 5.322 1.00 1.04 H new ATOM 1849 N GLU B 29 28.033 -7.574 7.530 1.00 0.93 N ATOM 1850 CA GLU B 29 26.679 -8.129 7.469 1.00 0.90 C ATOM 1851 C GLU B 29 26.152 -8.116 6.034 1.00 0.85 C ATOM 1852 O GLU B 29 25.543 -7.139 5.599 1.00 0.82 O ATOM 1853 CB GLU B 29 25.720 -7.369 8.393 1.00 0.91 C ATOM 1854 CG GLU B 29 26.147 -7.370 9.850 1.00 1.14 C ATOM 1855 CD GLU B 29 25.203 -6.585 10.735 1.00 1.10 C ATOM 1856 OE1 GLU B 29 25.375 -5.352 10.845 1.00 1.30 O ATOM 1857 OE2 GLU B 29 24.289 -7.199 11.330 1.00 1.29 O ATOM 0 H GLU B 29 28.738 -8.243 7.839 1.00 0.93 H new ATOM 0 HA GLU B 29 26.732 -9.162 7.813 1.00 0.90 H new ATOM 0 HB2 GLU B 29 25.638 -6.338 8.048 1.00 0.91 H new ATOM 0 HB3 GLU B 29 24.727 -7.811 8.314 1.00 0.91 H new ATOM 0 HG2 GLU B 29 26.203 -8.398 10.207 1.00 1.14 H new ATOM 0 HG3 GLU B 29 27.149 -6.949 9.931 1.00 1.14 H new ATOM 1864 N PRO B 30 26.379 -9.207 5.281 1.00 0.88 N ATOM 1865 CA PRO B 30 25.929 -9.325 3.884 1.00 0.88 C ATOM 1866 C PRO B 30 24.418 -9.532 3.765 1.00 0.82 C ATOM 1867 O PRO B 30 23.944 -10.309 2.932 1.00 0.85 O ATOM 1868 CB PRO B 30 26.677 -10.561 3.382 1.00 1.00 C ATOM 1869 CG PRO B 30 26.924 -11.386 4.597 1.00 1.07 C ATOM 1870 CD PRO B 30 27.101 -10.415 5.732 1.00 0.98 C ATOM 0 HA PRO B 30 26.132 -8.418 3.314 1.00 0.88 H new ATOM 0 HB2 PRO B 30 26.086 -11.108 2.648 1.00 1.00 H new ATOM 0 HB3 PRO B 30 27.613 -10.285 2.896 1.00 1.00 H new ATOM 0 HG2 PRO B 30 26.088 -12.060 4.787 1.00 1.07 H new ATOM 0 HG3 PRO B 30 27.812 -12.006 4.473 1.00 1.07 H new ATOM 0 HD2 PRO B 30 26.685 -10.806 6.661 1.00 0.98 H new ATOM 0 HD3 PRO B 30 28.154 -10.205 5.918 1.00 0.98 H new ATOM 1878 N LYS B 31 23.671 -8.827 4.602 1.00 0.78 N ATOM 1879 CA LYS B 31 22.221 -8.909 4.606 1.00 0.74 C ATOM 1880 C LYS B 31 21.652 -7.825 3.707 1.00 0.69 C ATOM 1881 O LYS B 31 21.526 -6.673 4.117 1.00 0.73 O ATOM 1882 CB LYS B 31 21.684 -8.744 6.031 1.00 0.76 C ATOM 1883 CG LYS B 31 21.960 -9.936 6.932 1.00 0.92 C ATOM 1884 CD LYS B 31 20.694 -10.736 7.206 1.00 1.11 C ATOM 1885 CE LYS B 31 20.155 -11.380 5.938 1.00 1.32 C ATOM 1886 NZ LYS B 31 18.781 -11.906 6.123 1.00 1.45 N ATOM 0 H LYS B 31 24.053 -8.184 5.295 1.00 0.78 H new ATOM 0 HA LYS B 31 21.917 -9.887 4.232 1.00 0.74 H new ATOM 0 HB2 LYS B 31 22.128 -7.854 6.476 1.00 0.76 H new ATOM 0 HB3 LYS B 31 20.608 -8.575 5.987 1.00 0.76 H new ATOM 0 HG2 LYS B 31 22.705 -10.581 6.465 1.00 0.92 H new ATOM 0 HG3 LYS B 31 22.384 -9.590 7.875 1.00 0.92 H new ATOM 0 HD2 LYS B 31 20.904 -11.508 7.946 1.00 1.11 H new ATOM 0 HD3 LYS B 31 19.935 -10.082 7.634 1.00 1.11 H new ATOM 0 HE2 LYS B 31 20.157 -10.648 5.130 1.00 1.32 H new ATOM 0 HE3 LYS B 31 20.816 -12.192 5.634 1.00 1.32 H new ATOM 0 HZ1 LYS B 31 18.452 -12.336 5.235 1.00 1.45 H new ATOM 0 HZ2 LYS B 31 18.782 -12.623 6.876 1.00 1.45 H new ATOM 0 HZ3 LYS B 31 18.144 -11.128 6.388 1.00 1.45 H new ATOM 1900 N ILE B 32 21.329 -8.192 2.479 1.00 0.68 N ATOM 1901 CA ILE B 32 20.793 -7.246 1.516 1.00 0.66 C ATOM 1902 C ILE B 32 19.285 -7.421 1.367 1.00 0.62 C ATOM 1903 O ILE B 32 18.804 -8.516 1.058 1.00 0.67 O ATOM 1904 CB ILE B 32 21.469 -7.416 0.138 1.00 0.71 C ATOM 1905 CG1 ILE B 32 22.988 -7.562 0.302 1.00 0.88 C ATOM 1906 CG2 ILE B 32 21.142 -6.235 -0.765 1.00 0.80 C ATOM 1907 CD1 ILE B 32 23.687 -8.080 -0.938 1.00 1.20 C ATOM 0 H ILE B 32 21.429 -9.143 2.124 1.00 0.68 H new ATOM 0 HA ILE B 32 21.001 -6.244 1.890 1.00 0.66 H new ATOM 0 HB ILE B 32 21.082 -8.323 -0.327 1.00 0.71 H new ATOM 0 HG12 ILE B 32 23.411 -6.593 0.569 1.00 0.88 H new ATOM 0 HG13 ILE B 32 23.192 -8.238 1.132 1.00 0.88 H new ATOM 0 HG21 ILE B 32 21.626 -6.371 -1.732 1.00 0.80 H new ATOM 0 HG22 ILE B 32 20.063 -6.172 -0.905 1.00 0.80 H new ATOM 0 HG23 ILE B 32 21.502 -5.315 -0.305 1.00 0.80 H new ATOM 0 HD11 ILE B 32 24.757 -8.157 -0.747 1.00 1.20 H new ATOM 0 HD12 ILE B 32 23.292 -9.063 -1.194 1.00 1.20 H new ATOM 0 HD13 ILE B 32 23.515 -7.393 -1.767 1.00 1.20 H new ATOM 1919 N ILE B 33 18.545 -6.346 1.603 1.00 0.58 N ATOM 1920 CA ILE B 33 17.095 -6.377 1.484 1.00 0.56 C ATOM 1921 C ILE B 33 16.657 -5.796 0.152 1.00 0.54 C ATOM 1922 O ILE B 33 17.260 -4.847 -0.357 1.00 0.60 O ATOM 1923 CB ILE B 33 16.386 -5.609 2.625 1.00 0.56 C ATOM 1924 CG1 ILE B 33 17.236 -4.425 3.096 1.00 0.59 C ATOM 1925 CG2 ILE B 33 16.069 -6.548 3.780 1.00 0.67 C ATOM 1926 CD1 ILE B 33 16.492 -3.458 3.990 1.00 0.67 C ATOM 0 H ILE B 33 18.926 -5.441 1.878 1.00 0.58 H new ATOM 0 HA ILE B 33 16.804 -7.425 1.552 1.00 0.56 H new ATOM 0 HB ILE B 33 15.446 -5.212 2.241 1.00 0.56 H new ATOM 0 HG12 ILE B 33 18.106 -4.805 3.631 1.00 0.59 H new ATOM 0 HG13 ILE B 33 17.608 -3.887 2.224 1.00 0.59 H new ATOM 0 HG21 ILE B 33 15.571 -5.992 4.574 1.00 0.67 H new ATOM 0 HG22 ILE B 33 15.415 -7.347 3.430 1.00 0.67 H new ATOM 0 HG23 ILE B 33 16.994 -6.978 4.164 1.00 0.67 H new ATOM 0 HD11 ILE B 33 17.159 -2.647 4.283 1.00 0.67 H new ATOM 0 HD12 ILE B 33 15.637 -3.049 3.452 1.00 0.67 H new ATOM 0 HD13 ILE B 33 16.143 -3.981 4.881 1.00 0.67 H new ATOM 1938 N LYS B 34 15.611 -6.375 -0.409 1.00 0.53 N ATOM 1939 CA LYS B 34 15.080 -5.933 -1.687 1.00 0.53 C ATOM 1940 C LYS B 34 13.975 -4.903 -1.479 1.00 0.48 C ATOM 1941 O LYS B 34 12.844 -5.245 -1.131 1.00 0.57 O ATOM 1942 CB LYS B 34 14.556 -7.139 -2.473 1.00 0.58 C ATOM 1943 CG LYS B 34 15.568 -8.272 -2.571 1.00 0.76 C ATOM 1944 CD LYS B 34 14.981 -9.515 -3.218 1.00 0.87 C ATOM 1945 CE LYS B 34 14.796 -9.341 -4.716 1.00 1.07 C ATOM 1946 NZ LYS B 34 16.020 -8.805 -5.371 1.00 1.31 N ATOM 0 H LYS B 34 15.108 -7.160 0.005 1.00 0.53 H new ATOM 0 HA LYS B 34 15.878 -5.460 -2.259 1.00 0.53 H new ATOM 0 HB2 LYS B 34 13.649 -7.510 -1.996 1.00 0.58 H new ATOM 0 HB3 LYS B 34 14.280 -6.818 -3.477 1.00 0.58 H new ATOM 0 HG2 LYS B 34 16.430 -7.937 -3.148 1.00 0.76 H new ATOM 0 HG3 LYS B 34 15.929 -8.521 -1.573 1.00 0.76 H new ATOM 0 HD2 LYS B 34 15.636 -10.366 -3.030 1.00 0.87 H new ATOM 0 HD3 LYS B 34 14.020 -9.744 -2.758 1.00 0.87 H new ATOM 0 HE2 LYS B 34 14.536 -10.301 -5.163 1.00 1.07 H new ATOM 0 HE3 LYS B 34 13.960 -8.666 -4.902 1.00 1.07 H new ATOM 0 HZ1 LYS B 34 16.073 -9.156 -6.349 1.00 1.31 H new ATOM 0 HZ2 LYS B 34 15.983 -7.766 -5.378 1.00 1.31 H new ATOM 0 HZ3 LYS B 34 16.861 -9.118 -4.845 1.00 1.31 H new ATOM 1960 N VAL B 35 14.318 -3.641 -1.671 1.00 0.44 N ATOM 1961 CA VAL B 35 13.362 -2.557 -1.511 1.00 0.41 C ATOM 1962 C VAL B 35 12.876 -2.084 -2.877 1.00 0.42 C ATOM 1963 O VAL B 35 13.663 -1.658 -3.719 1.00 0.45 O ATOM 1964 CB VAL B 35 13.957 -1.372 -0.705 1.00 0.40 C ATOM 1965 CG1 VAL B 35 15.344 -0.999 -1.207 1.00 0.42 C ATOM 1966 CG2 VAL B 35 13.029 -0.163 -0.746 1.00 0.40 C ATOM 0 H VAL B 35 15.255 -3.340 -1.939 1.00 0.44 H new ATOM 0 HA VAL B 35 12.516 -2.942 -0.941 1.00 0.41 H new ATOM 0 HB VAL B 35 14.052 -1.697 0.331 1.00 0.40 H new ATOM 0 HG11 VAL B 35 15.731 -0.166 -0.621 1.00 0.42 H new ATOM 0 HG12 VAL B 35 16.010 -1.855 -1.105 1.00 0.42 H new ATOM 0 HG13 VAL B 35 15.285 -0.708 -2.256 1.00 0.42 H new ATOM 0 HG21 VAL B 35 13.469 0.653 -0.174 1.00 0.40 H new ATOM 0 HG22 VAL B 35 12.889 0.153 -1.780 1.00 0.40 H new ATOM 0 HG23 VAL B 35 12.064 -0.430 -0.314 1.00 0.40 H new ATOM 1976 N THR B 36 11.582 -2.187 -3.105 1.00 0.41 N ATOM 1977 CA THR B 36 11.008 -1.775 -4.368 1.00 0.43 C ATOM 1978 C THR B 36 10.369 -0.396 -4.239 1.00 0.39 C ATOM 1979 O THR B 36 9.391 -0.214 -3.514 1.00 0.40 O ATOM 1980 CB THR B 36 9.978 -2.801 -4.860 1.00 0.48 C ATOM 1981 OG1 THR B 36 10.480 -4.128 -4.639 1.00 0.56 O ATOM 1982 CG2 THR B 36 9.695 -2.604 -6.337 1.00 0.57 C ATOM 0 H THR B 36 10.909 -2.553 -2.431 1.00 0.41 H new ATOM 0 HA THR B 36 11.810 -1.718 -5.104 1.00 0.43 H new ATOM 0 HB THR B 36 9.051 -2.661 -4.305 1.00 0.48 H new ATOM 0 HG1 THR B 36 9.822 -4.783 -4.952 1.00 0.56 H new ATOM 0 HG21 THR B 36 8.963 -3.340 -6.668 1.00 0.57 H new ATOM 0 HG22 THR B 36 9.301 -1.601 -6.501 1.00 0.57 H new ATOM 0 HG23 THR B 36 10.617 -2.729 -6.904 1.00 0.57 H new ATOM 1990 N VAL B 37 10.934 0.575 -4.941 1.00 0.41 N ATOM 1991 CA VAL B 37 10.438 1.940 -4.890 1.00 0.40 C ATOM 1992 C VAL B 37 9.495 2.236 -6.051 1.00 0.43 C ATOM 1993 O VAL B 37 9.825 1.998 -7.214 1.00 0.51 O ATOM 1994 CB VAL B 37 11.602 2.957 -4.908 1.00 0.46 C ATOM 1995 CG1 VAL B 37 11.082 4.374 -4.727 1.00 0.52 C ATOM 1996 CG2 VAL B 37 12.632 2.623 -3.836 1.00 0.46 C ATOM 0 H VAL B 37 11.738 0.441 -5.554 1.00 0.41 H new ATOM 0 HA VAL B 37 9.887 2.041 -3.955 1.00 0.40 H new ATOM 0 HB VAL B 37 12.090 2.893 -5.880 1.00 0.46 H new ATOM 0 HG11 VAL B 37 11.918 5.073 -4.743 1.00 0.52 H new ATOM 0 HG12 VAL B 37 10.392 4.615 -5.536 1.00 0.52 H new ATOM 0 HG13 VAL B 37 10.562 4.452 -3.772 1.00 0.52 H new ATOM 0 HG21 VAL B 37 13.441 3.353 -3.869 1.00 0.46 H new ATOM 0 HG22 VAL B 37 12.158 2.651 -2.855 1.00 0.46 H new ATOM 0 HG23 VAL B 37 13.035 1.626 -4.016 1.00 0.46 H new ATOM 2006 N LYS B 38 8.313 2.727 -5.723 1.00 0.41 N ATOM 2007 CA LYS B 38 7.322 3.092 -6.719 1.00 0.46 C ATOM 2008 C LYS B 38 7.445 4.577 -7.020 1.00 0.50 C ATOM 2009 O LYS B 38 7.266 5.419 -6.137 1.00 0.63 O ATOM 2010 CB LYS B 38 5.915 2.768 -6.222 1.00 0.51 C ATOM 2011 CG LYS B 38 5.698 1.290 -5.933 1.00 0.65 C ATOM 2012 CD LYS B 38 4.454 1.062 -5.092 1.00 0.80 C ATOM 2013 CE LYS B 38 3.191 1.444 -5.845 1.00 1.18 C ATOM 2014 NZ LYS B 38 1.977 1.198 -5.032 1.00 1.38 N ATOM 0 H LYS B 38 8.014 2.884 -4.761 1.00 0.41 H new ATOM 0 HA LYS B 38 7.499 2.518 -7.629 1.00 0.46 H new ATOM 0 HB2 LYS B 38 5.718 3.340 -5.315 1.00 0.51 H new ATOM 0 HB3 LYS B 38 5.191 3.094 -6.968 1.00 0.51 H new ATOM 0 HG2 LYS B 38 5.608 0.744 -6.872 1.00 0.65 H new ATOM 0 HG3 LYS B 38 6.568 0.889 -5.413 1.00 0.65 H new ATOM 0 HD2 LYS B 38 4.400 0.014 -4.798 1.00 0.80 H new ATOM 0 HD3 LYS B 38 4.522 1.647 -4.175 1.00 0.80 H new ATOM 0 HE2 LYS B 38 3.237 2.497 -6.123 1.00 1.18 H new ATOM 0 HE3 LYS B 38 3.132 0.872 -6.771 1.00 1.18 H new ATOM 0 HZ1 LYS B 38 1.147 1.139 -5.656 1.00 1.38 H new ATOM 0 HZ2 LYS B 38 2.083 0.304 -4.511 1.00 1.38 H new ATOM 0 HZ3 LYS B 38 1.847 1.978 -4.357 1.00 1.38 H new ATOM 2028 N THR B 39 7.749 4.893 -8.263 1.00 0.55 N ATOM 2029 CA THR B 39 7.931 6.269 -8.671 1.00 0.60 C ATOM 2030 C THR B 39 6.945 6.631 -9.771 1.00 0.65 C ATOM 2031 O THR B 39 6.354 5.736 -10.388 1.00 0.67 O ATOM 2032 CB THR B 39 9.373 6.497 -9.181 1.00 0.64 C ATOM 2033 OG1 THR B 39 9.726 5.485 -10.131 1.00 0.78 O ATOM 2034 CG2 THR B 39 10.368 6.485 -8.031 1.00 0.68 C ATOM 0 H THR B 39 7.875 4.211 -9.010 1.00 0.55 H new ATOM 0 HA THR B 39 7.753 6.905 -7.804 1.00 0.60 H new ATOM 0 HB THR B 39 9.409 7.475 -9.661 1.00 0.64 H new ATOM 0 HG1 THR B 39 10.640 5.639 -10.449 1.00 0.78 H new ATOM 0 HG21 THR B 39 11.374 6.648 -8.418 1.00 0.68 H new ATOM 0 HG22 THR B 39 10.118 7.278 -7.326 1.00 0.68 H new ATOM 0 HG23 THR B 39 10.326 5.521 -7.524 1.00 0.68 H new ATOM 2042 N PRO B 40 6.720 7.933 -10.014 1.00 0.71 N ATOM 2043 CA PRO B 40 5.823 8.386 -11.079 1.00 0.78 C ATOM 2044 C PRO B 40 6.461 8.176 -12.451 1.00 0.81 C ATOM 2045 O PRO B 40 6.578 9.104 -13.249 1.00 0.87 O ATOM 2046 CB PRO B 40 5.642 9.878 -10.781 1.00 0.83 C ATOM 2047 CG PRO B 40 6.865 10.275 -10.033 1.00 0.85 C ATOM 2048 CD PRO B 40 7.289 9.063 -9.249 1.00 0.73 C ATOM 0 HA PRO B 40 4.879 7.841 -11.103 1.00 0.78 H new ATOM 0 HB2 PRO B 40 5.538 10.454 -11.701 1.00 0.83 H new ATOM 0 HB3 PRO B 40 4.743 10.056 -10.190 1.00 0.83 H new ATOM 0 HG2 PRO B 40 7.653 10.592 -10.716 1.00 0.85 H new ATOM 0 HG3 PRO B 40 6.660 11.116 -9.370 1.00 0.85 H new ATOM 0 HD2 PRO B 40 8.374 8.992 -9.178 1.00 0.73 H new ATOM 0 HD3 PRO B 40 6.904 9.091 -8.230 1.00 0.73 H new ATOM 2056 N LYS B 41 6.864 6.938 -12.707 1.00 0.82 N ATOM 2057 CA LYS B 41 7.514 6.552 -13.951 1.00 0.87 C ATOM 2058 C LYS B 41 7.488 5.036 -14.098 1.00 0.84 C ATOM 2059 O LYS B 41 6.899 4.494 -15.037 1.00 0.92 O ATOM 2060 CB LYS B 41 8.972 7.034 -13.971 1.00 0.93 C ATOM 2061 CG LYS B 41 9.204 8.304 -14.773 1.00 1.13 C ATOM 2062 CD LYS B 41 10.626 8.811 -14.598 1.00 1.21 C ATOM 2063 CE LYS B 41 10.832 10.155 -15.276 1.00 1.44 C ATOM 2064 NZ LYS B 41 12.145 10.758 -14.928 1.00 1.37 N ATOM 0 H LYS B 41 6.747 6.167 -12.050 1.00 0.82 H new ATOM 0 HA LYS B 41 6.975 7.014 -14.778 1.00 0.87 H new ATOM 0 HB2 LYS B 41 9.300 7.202 -12.945 1.00 0.93 H new ATOM 0 HB3 LYS B 41 9.598 6.241 -14.380 1.00 0.93 H new ATOM 0 HG2 LYS B 41 9.011 8.111 -15.828 1.00 1.13 H new ATOM 0 HG3 LYS B 41 8.499 9.072 -14.455 1.00 1.13 H new ATOM 0 HD2 LYS B 41 10.852 8.901 -13.535 1.00 1.21 H new ATOM 0 HD3 LYS B 41 11.325 8.084 -15.012 1.00 1.21 H new ATOM 0 HE2 LYS B 41 10.765 10.030 -16.357 1.00 1.44 H new ATOM 0 HE3 LYS B 41 10.032 10.835 -14.984 1.00 1.44 H new ATOM 0 HZ1 LYS B 41 12.246 11.673 -15.411 1.00 1.37 H new ATOM 0 HZ2 LYS B 41 12.199 10.901 -13.899 1.00 1.37 H new ATOM 0 HZ3 LYS B 41 12.910 10.122 -15.230 1.00 1.37 H new ATOM 2078 N GLU B 42 8.116 4.361 -13.149 1.00 0.77 N ATOM 2079 CA GLU B 42 8.190 2.909 -13.152 1.00 0.75 C ATOM 2080 C GLU B 42 8.323 2.387 -11.728 1.00 0.70 C ATOM 2081 O GLU B 42 8.159 3.137 -10.761 1.00 0.73 O ATOM 2082 CB GLU B 42 9.385 2.441 -13.992 1.00 0.83 C ATOM 2083 CG GLU B 42 8.991 1.771 -15.297 1.00 1.03 C ATOM 2084 CD GLU B 42 10.189 1.400 -16.145 1.00 1.08 C ATOM 2085 OE1 GLU B 42 10.821 0.357 -15.870 1.00 1.28 O ATOM 2086 OE2 GLU B 42 10.508 2.149 -17.097 1.00 1.41 O ATOM 0 H GLU B 42 8.587 4.801 -12.359 1.00 0.77 H new ATOM 0 HA GLU B 42 7.273 2.515 -13.590 1.00 0.75 H new ATOM 0 HB2 GLU B 42 10.021 3.299 -14.212 1.00 0.83 H new ATOM 0 HB3 GLU B 42 9.981 1.745 -13.402 1.00 0.83 H new ATOM 0 HG2 GLU B 42 8.412 0.873 -15.080 1.00 1.03 H new ATOM 0 HG3 GLU B 42 8.343 2.440 -15.863 1.00 1.03 H new ATOM 2093 N LYS B 43 8.619 1.107 -11.607 1.00 0.68 N ATOM 2094 CA LYS B 43 8.785 0.475 -10.309 1.00 0.64 C ATOM 2095 C LYS B 43 10.109 -0.283 -10.270 1.00 0.63 C ATOM 2096 O LYS B 43 10.148 -1.508 -10.450 1.00 0.74 O ATOM 2097 CB LYS B 43 7.615 -0.475 -10.027 1.00 0.67 C ATOM 2098 CG LYS B 43 7.558 -0.972 -8.590 1.00 0.67 C ATOM 2099 CD LYS B 43 6.589 -2.134 -8.432 1.00 0.74 C ATOM 2100 CE LYS B 43 7.091 -3.382 -9.146 1.00 0.83 C ATOM 2101 NZ LYS B 43 6.162 -4.528 -8.983 1.00 0.98 N ATOM 0 H LYS B 43 8.751 0.478 -12.399 1.00 0.68 H new ATOM 0 HA LYS B 43 8.796 1.244 -9.537 1.00 0.64 H new ATOM 0 HB2 LYS B 43 6.681 0.035 -10.262 1.00 0.67 H new ATOM 0 HB3 LYS B 43 7.687 -1.333 -10.695 1.00 0.67 H new ATOM 0 HG2 LYS B 43 8.553 -1.283 -8.273 1.00 0.67 H new ATOM 0 HG3 LYS B 43 7.256 -0.155 -7.935 1.00 0.67 H new ATOM 0 HD2 LYS B 43 6.449 -2.351 -7.373 1.00 0.74 H new ATOM 0 HD3 LYS B 43 5.614 -1.853 -8.831 1.00 0.74 H new ATOM 0 HE2 LYS B 43 7.218 -3.166 -10.207 1.00 0.83 H new ATOM 0 HE3 LYS B 43 8.072 -3.653 -8.756 1.00 0.83 H new ATOM 0 HZ1 LYS B 43 6.541 -5.356 -9.484 1.00 0.98 H new ATOM 0 HZ2 LYS B 43 6.060 -4.751 -7.972 1.00 0.98 H new ATOM 0 HZ3 LYS B 43 5.232 -4.280 -9.378 1.00 0.98 H new ATOM 2115 N GLU B 44 11.188 0.455 -10.060 1.00 0.59 N ATOM 2116 CA GLU B 44 12.518 -0.128 -10.009 1.00 0.60 C ATOM 2117 C GLU B 44 12.825 -0.643 -8.607 1.00 0.56 C ATOM 2118 O GLU B 44 12.351 -0.090 -7.609 1.00 0.60 O ATOM 2119 CB GLU B 44 13.567 0.905 -10.427 1.00 0.64 C ATOM 2120 CG GLU B 44 14.651 0.343 -11.335 1.00 0.81 C ATOM 2121 CD GLU B 44 14.153 0.059 -12.739 1.00 1.02 C ATOM 2122 OE1 GLU B 44 13.614 -1.043 -12.975 1.00 1.24 O ATOM 2123 OE2 GLU B 44 14.301 0.939 -13.615 1.00 1.21 O ATOM 0 H GLU B 44 11.167 1.465 -9.921 1.00 0.59 H new ATOM 0 HA GLU B 44 12.550 -0.967 -10.704 1.00 0.60 H new ATOM 0 HB2 GLU B 44 13.069 1.729 -10.938 1.00 0.64 H new ATOM 0 HB3 GLU B 44 14.033 1.319 -9.533 1.00 0.64 H new ATOM 0 HG2 GLU B 44 15.480 1.050 -11.384 1.00 0.81 H new ATOM 0 HG3 GLU B 44 15.042 -0.577 -10.900 1.00 0.81 H new ATOM 2130 N GLU B 45 13.613 -1.700 -8.537 1.00 0.56 N ATOM 2131 CA GLU B 45 13.981 -2.288 -7.264 1.00 0.53 C ATOM 2132 C GLU B 45 15.397 -1.868 -6.879 1.00 0.55 C ATOM 2133 O GLU B 45 16.250 -1.679 -7.743 1.00 0.64 O ATOM 2134 CB GLU B 45 13.882 -3.815 -7.333 1.00 0.57 C ATOM 2135 CG GLU B 45 13.810 -4.484 -5.974 1.00 0.58 C ATOM 2136 CD GLU B 45 14.011 -5.981 -6.055 1.00 0.76 C ATOM 2137 OE1 GLU B 45 15.178 -6.423 -6.083 1.00 0.99 O ATOM 2138 OE2 GLU B 45 13.005 -6.726 -6.084 1.00 0.94 O ATOM 0 H GLU B 45 14.011 -2.170 -9.350 1.00 0.56 H new ATOM 0 HA GLU B 45 13.289 -1.929 -6.502 1.00 0.53 H new ATOM 0 HB2 GLU B 45 12.998 -4.087 -7.909 1.00 0.57 H new ATOM 0 HB3 GLU B 45 14.746 -4.202 -7.873 1.00 0.57 H new ATOM 0 HG2 GLU B 45 14.568 -4.054 -5.320 1.00 0.58 H new ATOM 0 HG3 GLU B 45 12.841 -4.275 -5.520 1.00 0.58 H new ATOM 2145 N PHE B 46 15.634 -1.701 -5.588 1.00 0.51 N ATOM 2146 CA PHE B 46 16.941 -1.313 -5.086 1.00 0.54 C ATOM 2147 C PHE B 46 17.427 -2.326 -4.061 1.00 0.54 C ATOM 2148 O PHE B 46 16.625 -2.985 -3.398 1.00 0.54 O ATOM 2149 CB PHE B 46 16.882 0.084 -4.461 1.00 0.53 C ATOM 2150 CG PHE B 46 16.999 1.203 -5.459 1.00 0.58 C ATOM 2151 CD1 PHE B 46 18.244 1.664 -5.859 1.00 0.78 C ATOM 2152 CD2 PHE B 46 15.866 1.794 -5.999 1.00 0.72 C ATOM 2153 CE1 PHE B 46 18.357 2.690 -6.777 1.00 0.90 C ATOM 2154 CE2 PHE B 46 15.974 2.820 -6.919 1.00 0.85 C ATOM 2155 CZ PHE B 46 17.222 3.269 -7.306 1.00 0.87 C ATOM 0 H PHE B 46 14.929 -1.830 -4.862 1.00 0.51 H new ATOM 0 HA PHE B 46 17.642 -1.289 -5.920 1.00 0.54 H new ATOM 0 HB2 PHE B 46 15.942 0.190 -3.920 1.00 0.53 H new ATOM 0 HB3 PHE B 46 17.684 0.178 -3.729 1.00 0.53 H new ATOM 0 HD1 PHE B 46 19.136 1.215 -5.448 1.00 0.78 H new ATOM 0 HD2 PHE B 46 14.888 1.448 -5.697 1.00 0.72 H new ATOM 0 HE1 PHE B 46 19.333 3.039 -7.080 1.00 0.90 H new ATOM 0 HE2 PHE B 46 15.084 3.270 -7.335 1.00 0.85 H new ATOM 0 HZ PHE B 46 17.309 4.073 -8.022 1.00 0.87 H new ATOM 2165 N ALA B 47 18.740 -2.453 -3.943 1.00 0.57 N ATOM 2166 CA ALA B 47 19.335 -3.384 -3.003 1.00 0.60 C ATOM 2167 C ALA B 47 20.214 -2.648 -1.999 1.00 0.60 C ATOM 2168 O ALA B 47 21.189 -1.992 -2.377 1.00 0.66 O ATOM 2169 CB ALA B 47 20.143 -4.436 -3.750 1.00 0.69 C ATOM 0 H ALA B 47 19.415 -1.919 -4.491 1.00 0.57 H new ATOM 0 HA ALA B 47 18.536 -3.881 -2.453 1.00 0.60 H new ATOM 0 HB1 ALA B 47 20.586 -5.130 -3.035 1.00 0.69 H new ATOM 0 HB2 ALA B 47 19.489 -4.983 -4.429 1.00 0.69 H new ATOM 0 HB3 ALA B 47 20.934 -3.950 -4.321 1.00 0.69 H new ATOM 2175 N VAL B 48 19.856 -2.743 -0.726 1.00 0.57 N ATOM 2176 CA VAL B 48 20.608 -2.085 0.335 1.00 0.59 C ATOM 2177 C VAL B 48 20.799 -3.027 1.521 1.00 0.58 C ATOM 2178 O VAL B 48 19.998 -3.943 1.720 1.00 0.57 O ATOM 2179 CB VAL B 48 19.912 -0.790 0.822 1.00 0.59 C ATOM 2180 CG1 VAL B 48 20.065 0.326 -0.204 1.00 0.66 C ATOM 2181 CG2 VAL B 48 18.439 -1.042 1.127 1.00 0.56 C ATOM 0 H VAL B 48 19.046 -3.271 -0.401 1.00 0.57 H new ATOM 0 HA VAL B 48 21.578 -1.817 -0.084 1.00 0.59 H new ATOM 0 HB VAL B 48 20.399 -0.475 1.745 1.00 0.59 H new ATOM 0 HG11 VAL B 48 19.568 1.225 0.160 1.00 0.66 H new ATOM 0 HG12 VAL B 48 21.124 0.534 -0.360 1.00 0.66 H new ATOM 0 HG13 VAL B 48 19.613 0.018 -1.147 1.00 0.66 H new ATOM 0 HG21 VAL B 48 17.974 -0.116 1.467 1.00 0.56 H new ATOM 0 HG22 VAL B 48 17.935 -1.391 0.226 1.00 0.56 H new ATOM 0 HG23 VAL B 48 18.353 -1.799 1.907 1.00 0.56 H new ATOM 2191 N PRO B 49 21.874 -2.841 2.306 1.00 0.62 N ATOM 2192 CA PRO B 49 22.149 -3.676 3.475 1.00 0.63 C ATOM 2193 C PRO B 49 21.197 -3.372 4.632 1.00 0.60 C ATOM 2194 O PRO B 49 20.703 -2.251 4.766 1.00 0.61 O ATOM 2195 CB PRO B 49 23.596 -3.316 3.855 1.00 0.69 C ATOM 2196 CG PRO B 49 24.118 -2.468 2.744 1.00 0.79 C ATOM 2197 CD PRO B 49 22.919 -1.824 2.115 1.00 0.67 C ATOM 0 HA PRO B 49 22.012 -4.736 3.259 1.00 0.63 H new ATOM 0 HB2 PRO B 49 23.628 -2.779 4.803 1.00 0.69 H new ATOM 0 HB3 PRO B 49 24.202 -4.214 3.977 1.00 0.69 H new ATOM 0 HG2 PRO B 49 24.812 -1.716 3.120 1.00 0.79 H new ATOM 0 HG3 PRO B 49 24.663 -3.070 2.017 1.00 0.79 H new ATOM 0 HD2 PRO B 49 22.663 -0.883 2.601 1.00 0.67 H new ATOM 0 HD3 PRO B 49 23.083 -1.604 1.060 1.00 0.67 H new ATOM 2205 N GLU B 50 20.961 -4.372 5.477 1.00 0.61 N ATOM 2206 CA GLU B 50 20.065 -4.226 6.625 1.00 0.61 C ATOM 2207 C GLU B 50 20.710 -3.426 7.764 1.00 0.67 C ATOM 2208 O GLU B 50 20.240 -3.467 8.903 1.00 1.01 O ATOM 2209 CB GLU B 50 19.617 -5.604 7.139 1.00 0.68 C ATOM 2210 CG GLU B 50 18.697 -6.347 6.180 1.00 0.86 C ATOM 2211 CD GLU B 50 17.941 -7.484 6.847 1.00 0.93 C ATOM 2212 OE1 GLU B 50 17.191 -7.219 7.811 1.00 1.08 O ATOM 2213 OE2 GLU B 50 18.084 -8.647 6.411 1.00 1.12 O ATOM 0 H GLU B 50 21.380 -5.298 5.389 1.00 0.61 H new ATOM 0 HA GLU B 50 19.194 -3.668 6.281 1.00 0.61 H new ATOM 0 HB2 GLU B 50 20.499 -6.215 7.329 1.00 0.68 H new ATOM 0 HB3 GLU B 50 19.106 -5.477 8.093 1.00 0.68 H new ATOM 0 HG2 GLU B 50 17.982 -5.644 5.752 1.00 0.86 H new ATOM 0 HG3 GLU B 50 19.286 -6.745 5.354 1.00 0.86 H new ATOM 2220 N ASN B 51 21.775 -2.691 7.456 1.00 0.67 N ATOM 2221 CA ASN B 51 22.463 -1.881 8.454 1.00 0.69 C ATOM 2222 C ASN B 51 22.837 -0.513 7.883 1.00 0.71 C ATOM 2223 O ASN B 51 23.870 0.059 8.227 1.00 0.96 O ATOM 2224 CB ASN B 51 23.716 -2.595 8.992 1.00 0.76 C ATOM 2225 CG ASN B 51 24.677 -3.062 7.909 1.00 0.86 C ATOM 2226 OD1 ASN B 51 24.726 -2.516 6.805 1.00 0.87 O ATOM 2227 ND2 ASN B 51 25.463 -4.074 8.231 1.00 1.20 N ATOM 0 H ASN B 51 22.180 -2.640 6.521 1.00 0.67 H new ATOM 0 HA ASN B 51 21.774 -1.735 9.286 1.00 0.69 H new ATOM 0 HB2 ASN B 51 24.244 -1.920 9.666 1.00 0.76 H new ATOM 0 HB3 ASN B 51 23.405 -3.456 9.583 1.00 0.76 H new ATOM 0 HD21 ASN B 51 26.140 -4.429 7.556 1.00 1.20 H new ATOM 0 HD22 ASN B 51 25.393 -4.500 9.155 1.00 1.20 H new ATOM 2234 N SER B 52 21.993 0.002 7.000 1.00 0.65 N ATOM 2235 CA SER B 52 22.223 1.305 6.391 1.00 0.67 C ATOM 2236 C SER B 52 21.051 2.240 6.682 1.00 0.63 C ATOM 2237 O SER B 52 19.924 1.787 6.900 1.00 0.68 O ATOM 2238 CB SER B 52 22.437 1.158 4.883 1.00 0.71 C ATOM 2239 OG SER B 52 23.637 0.448 4.606 1.00 0.86 O ATOM 0 H SER B 52 21.141 -0.464 6.689 1.00 0.65 H new ATOM 0 HA SER B 52 23.124 1.739 6.823 1.00 0.67 H new ATOM 0 HB2 SER B 52 21.590 0.634 4.441 1.00 0.71 H new ATOM 0 HB3 SER B 52 22.478 2.144 4.420 1.00 0.71 H new ATOM 0 HG SER B 52 23.921 0.632 3.687 1.00 0.86 H new ATOM 2245 N SER B 53 21.325 3.537 6.711 1.00 0.65 N ATOM 2246 CA SER B 53 20.297 4.529 6.980 1.00 0.64 C ATOM 2247 C SER B 53 19.724 5.091 5.678 1.00 0.57 C ATOM 2248 O SER B 53 20.354 5.005 4.617 1.00 0.58 O ATOM 2249 CB SER B 53 20.872 5.654 7.845 1.00 0.75 C ATOM 2250 OG SER B 53 21.861 5.158 8.737 1.00 0.89 O ATOM 0 H SER B 53 22.254 3.926 6.551 1.00 0.65 H new ATOM 0 HA SER B 53 19.483 4.047 7.522 1.00 0.64 H new ATOM 0 HB2 SER B 53 21.307 6.423 7.206 1.00 0.75 H new ATOM 0 HB3 SER B 53 20.070 6.127 8.412 1.00 0.75 H new ATOM 0 HG SER B 53 22.214 5.896 9.277 1.00 0.89 H new ATOM 2256 N VAL B 54 18.543 5.691 5.772 1.00 0.54 N ATOM 2257 CA VAL B 54 17.858 6.254 4.612 1.00 0.49 C ATOM 2258 C VAL B 54 18.589 7.477 4.074 1.00 0.48 C ATOM 2259 O VAL B 54 18.484 7.795 2.892 1.00 0.47 O ATOM 2260 CB VAL B 54 16.404 6.648 4.948 1.00 0.52 C ATOM 2261 CG1 VAL B 54 15.610 6.948 3.683 1.00 0.57 C ATOM 2262 CG2 VAL B 54 15.727 5.556 5.758 1.00 0.58 C ATOM 0 H VAL B 54 18.034 5.801 6.649 1.00 0.54 H new ATOM 0 HA VAL B 54 17.850 5.475 3.849 1.00 0.49 H new ATOM 0 HB VAL B 54 16.433 7.556 5.550 1.00 0.52 H new ATOM 0 HG11 VAL B 54 14.590 7.223 3.950 1.00 0.57 H new ATOM 0 HG12 VAL B 54 16.079 7.773 3.146 1.00 0.57 H new ATOM 0 HG13 VAL B 54 15.593 6.064 3.046 1.00 0.57 H new ATOM 0 HG21 VAL B 54 14.703 5.853 5.985 1.00 0.58 H new ATOM 0 HG22 VAL B 54 15.718 4.630 5.184 1.00 0.58 H new ATOM 0 HG23 VAL B 54 16.274 5.401 6.688 1.00 0.58 H new ATOM 2272 N GLN B 55 19.337 8.152 4.943 1.00 0.53 N ATOM 2273 CA GLN B 55 20.083 9.342 4.544 1.00 0.58 C ATOM 2274 C GLN B 55 20.963 9.051 3.329 1.00 0.58 C ATOM 2275 O GLN B 55 20.994 9.831 2.374 1.00 0.64 O ATOM 2276 CB GLN B 55 20.935 9.854 5.704 1.00 0.67 C ATOM 2277 CG GLN B 55 21.224 11.346 5.628 1.00 0.88 C ATOM 2278 CD GLN B 55 22.235 11.804 6.659 1.00 0.92 C ATOM 2279 OE1 GLN B 55 23.112 11.043 7.068 1.00 1.13 O ATOM 2280 NE2 GLN B 55 22.133 13.057 7.070 1.00 1.23 N ATOM 0 H GLN B 55 19.442 7.896 5.925 1.00 0.53 H new ATOM 0 HA GLN B 55 19.365 10.115 4.270 1.00 0.58 H new ATOM 0 HB2 GLN B 55 20.425 9.637 6.643 1.00 0.67 H new ATOM 0 HB3 GLN B 55 21.879 9.309 5.720 1.00 0.67 H new ATOM 0 HG2 GLN B 55 21.593 11.589 4.632 1.00 0.88 H new ATOM 0 HG3 GLN B 55 20.295 11.898 5.767 1.00 0.88 H new ATOM 0 HE21 GLN B 55 21.391 13.654 6.706 1.00 1.23 H new ATOM 0 HE22 GLN B 55 22.796 13.426 7.751 1.00 1.23 H new ATOM 2289 N GLN B 56 21.658 7.918 3.364 1.00 0.56 N ATOM 2290 CA GLN B 56 22.524 7.518 2.261 1.00 0.60 C ATOM 2291 C GLN B 56 21.693 7.042 1.075 1.00 0.55 C ATOM 2292 O GLN B 56 22.051 7.274 -0.081 1.00 0.62 O ATOM 2293 CB GLN B 56 23.488 6.417 2.706 1.00 0.65 C ATOM 2294 CG GLN B 56 24.463 5.992 1.625 1.00 0.80 C ATOM 2295 CD GLN B 56 25.749 5.436 2.197 1.00 1.02 C ATOM 2296 OE1 GLN B 56 25.862 4.234 2.450 1.00 1.35 O ATOM 2297 NE2 GLN B 56 26.723 6.304 2.410 1.00 1.27 N ATOM 0 H GLN B 56 21.638 7.261 4.144 1.00 0.56 H new ATOM 0 HA GLN B 56 23.107 8.386 1.953 1.00 0.60 H new ATOM 0 HB2 GLN B 56 24.049 6.765 3.573 1.00 0.65 H new ATOM 0 HB3 GLN B 56 22.912 5.549 3.026 1.00 0.65 H new ATOM 0 HG2 GLN B 56 23.994 5.239 0.992 1.00 0.80 H new ATOM 0 HG3 GLN B 56 24.691 6.847 0.988 1.00 0.80 H new ATOM 0 HE21 GLN B 56 26.586 7.290 2.186 1.00 1.27 H new ATOM 0 HE22 GLN B 56 27.612 5.988 2.798 1.00 1.27 H new ATOM 2306 N PHE B 57 20.569 6.394 1.370 1.00 0.50 N ATOM 2307 CA PHE B 57 19.683 5.886 0.331 1.00 0.49 C ATOM 2308 C PHE B 57 19.159 7.036 -0.526 1.00 0.47 C ATOM 2309 O PHE B 57 19.050 6.912 -1.746 1.00 0.49 O ATOM 2310 CB PHE B 57 18.518 5.107 0.950 1.00 0.48 C ATOM 2311 CG PHE B 57 17.781 4.233 -0.027 1.00 0.50 C ATOM 2312 CD1 PHE B 57 18.476 3.458 -0.942 1.00 0.56 C ATOM 2313 CD2 PHE B 57 16.397 4.183 -0.026 1.00 0.53 C ATOM 2314 CE1 PHE B 57 17.803 2.654 -1.841 1.00 0.64 C ATOM 2315 CE2 PHE B 57 15.719 3.379 -0.922 1.00 0.59 C ATOM 2316 CZ PHE B 57 16.423 2.614 -1.830 1.00 0.64 C ATOM 0 H PHE B 57 20.252 6.209 2.322 1.00 0.50 H new ATOM 0 HA PHE B 57 20.250 5.207 -0.305 1.00 0.49 H new ATOM 0 HB2 PHE B 57 18.899 4.487 1.761 1.00 0.48 H new ATOM 0 HB3 PHE B 57 17.815 5.814 1.392 1.00 0.48 H new ATOM 0 HD1 PHE B 57 19.556 3.483 -0.952 1.00 0.56 H new ATOM 0 HD2 PHE B 57 15.842 4.779 0.683 1.00 0.53 H new ATOM 0 HE1 PHE B 57 18.356 2.057 -2.552 1.00 0.64 H new ATOM 0 HE2 PHE B 57 14.639 3.349 -0.912 1.00 0.59 H new ATOM 0 HZ PHE B 57 15.895 1.985 -2.531 1.00 0.64 H new ATOM 2326 N LYS B 58 18.853 8.158 0.122 1.00 0.47 N ATOM 2327 CA LYS B 58 18.366 9.341 -0.575 1.00 0.48 C ATOM 2328 C LYS B 58 19.387 9.801 -1.606 1.00 0.49 C ATOM 2329 O LYS B 58 19.039 10.165 -2.731 1.00 0.53 O ATOM 2330 CB LYS B 58 18.099 10.480 0.411 1.00 0.53 C ATOM 2331 CG LYS B 58 17.040 10.163 1.456 1.00 0.62 C ATOM 2332 CD LYS B 58 17.060 11.176 2.593 1.00 0.70 C ATOM 2333 CE LYS B 58 16.489 12.518 2.160 1.00 0.77 C ATOM 2334 NZ LYS B 58 16.930 13.627 3.049 1.00 1.01 N ATOM 0 H LYS B 58 18.935 8.270 1.132 1.00 0.47 H new ATOM 0 HA LYS B 58 17.434 9.078 -1.075 1.00 0.48 H new ATOM 0 HB2 LYS B 58 19.030 10.733 0.918 1.00 0.53 H new ATOM 0 HB3 LYS B 58 17.790 11.364 -0.147 1.00 0.53 H new ATOM 0 HG2 LYS B 58 16.055 10.158 0.988 1.00 0.62 H new ATOM 0 HG3 LYS B 58 17.208 9.163 1.855 1.00 0.62 H new ATOM 0 HD2 LYS B 58 16.485 10.790 3.435 1.00 0.70 H new ATOM 0 HD3 LYS B 58 18.084 11.311 2.942 1.00 0.70 H new ATOM 0 HE2 LYS B 58 16.798 12.730 1.136 1.00 0.77 H new ATOM 0 HE3 LYS B 58 15.400 12.465 2.160 1.00 0.77 H new ATOM 0 HZ1 LYS B 58 16.196 14.363 3.076 1.00 1.01 H new ATOM 0 HZ2 LYS B 58 17.088 13.260 4.009 1.00 1.01 H new ATOM 0 HZ3 LYS B 58 17.815 14.034 2.684 1.00 1.01 H new ATOM 2348 N GLU B 59 20.654 9.768 -1.210 1.00 0.51 N ATOM 2349 CA GLU B 59 21.745 10.171 -2.084 1.00 0.56 C ATOM 2350 C GLU B 59 21.917 9.179 -3.230 1.00 0.57 C ATOM 2351 O GLU B 59 22.244 9.562 -4.352 1.00 0.65 O ATOM 2352 CB GLU B 59 23.049 10.269 -1.296 1.00 0.63 C ATOM 2353 CG GLU B 59 23.127 11.459 -0.351 1.00 1.06 C ATOM 2354 CD GLU B 59 24.554 11.770 0.053 1.00 0.97 C ATOM 2355 OE1 GLU B 59 25.419 11.868 -0.841 1.00 1.30 O ATOM 2356 OE2 GLU B 59 24.824 11.905 1.264 1.00 1.14 O ATOM 0 H GLU B 59 20.951 9.464 -0.283 1.00 0.51 H new ATOM 0 HA GLU B 59 21.499 11.149 -2.498 1.00 0.56 H new ATOM 0 HB2 GLU B 59 23.180 9.354 -0.719 1.00 0.63 H new ATOM 0 HB3 GLU B 59 23.880 10.324 -1.999 1.00 0.63 H new ATOM 0 HG2 GLU B 59 22.688 12.333 -0.832 1.00 1.06 H new ATOM 0 HG3 GLU B 59 22.534 11.254 0.540 1.00 1.06 H new ATOM 2363 N ALA B 60 21.694 7.906 -2.938 1.00 0.55 N ATOM 2364 CA ALA B 60 21.828 6.851 -3.935 1.00 0.57 C ATOM 2365 C ALA B 60 20.753 6.966 -5.013 1.00 0.56 C ATOM 2366 O ALA B 60 21.053 6.928 -6.205 1.00 0.59 O ATOM 2367 CB ALA B 60 21.768 5.484 -3.270 1.00 0.59 C ATOM 0 H ALA B 60 21.418 7.576 -2.013 1.00 0.55 H new ATOM 0 HA ALA B 60 22.799 6.967 -4.417 1.00 0.57 H new ATOM 0 HB1 ALA B 60 21.869 4.706 -4.027 1.00 0.59 H new ATOM 0 HB2 ALA B 60 22.579 5.395 -2.547 1.00 0.59 H new ATOM 0 HB3 ALA B 60 20.812 5.370 -2.758 1.00 0.59 H new ATOM 2373 N ILE B 61 19.505 7.128 -4.587 1.00 0.52 N ATOM 2374 CA ILE B 61 18.385 7.241 -5.518 1.00 0.52 C ATOM 2375 C ILE B 61 18.542 8.450 -6.435 1.00 0.55 C ATOM 2376 O ILE B 61 18.346 8.348 -7.648 1.00 0.59 O ATOM 2377 CB ILE B 61 17.033 7.348 -4.776 1.00 0.50 C ATOM 2378 CG1 ILE B 61 16.798 6.112 -3.909 1.00 0.51 C ATOM 2379 CG2 ILE B 61 15.890 7.519 -5.771 1.00 0.52 C ATOM 2380 CD1 ILE B 61 15.532 6.187 -3.080 1.00 0.56 C ATOM 0 H ILE B 61 19.242 7.184 -3.603 1.00 0.52 H new ATOM 0 HA ILE B 61 18.391 6.330 -6.117 1.00 0.52 H new ATOM 0 HB ILE B 61 17.066 8.225 -4.129 1.00 0.50 H new ATOM 0 HG12 ILE B 61 16.751 5.232 -4.550 1.00 0.51 H new ATOM 0 HG13 ILE B 61 17.651 5.977 -3.244 1.00 0.51 H new ATOM 0 HG21 ILE B 61 14.946 7.593 -5.231 1.00 0.52 H new ATOM 0 HG22 ILE B 61 16.047 8.427 -6.353 1.00 0.52 H new ATOM 0 HG23 ILE B 61 15.859 6.660 -6.441 1.00 0.52 H new ATOM 0 HD11 ILE B 61 15.429 5.276 -2.490 1.00 0.56 H new ATOM 0 HD12 ILE B 61 15.584 7.048 -2.413 1.00 0.56 H new ATOM 0 HD13 ILE B 61 14.671 6.291 -3.740 1.00 0.56 H new ATOM 2392 N SER B 62 18.927 9.583 -5.868 1.00 0.55 N ATOM 2393 CA SER B 62 19.086 10.806 -6.646 1.00 0.59 C ATOM 2394 C SER B 62 20.249 10.711 -7.632 1.00 0.63 C ATOM 2395 O SER B 62 20.243 11.372 -8.670 1.00 0.70 O ATOM 2396 CB SER B 62 19.276 12.004 -5.716 1.00 0.61 C ATOM 2397 OG SER B 62 20.119 11.686 -4.620 1.00 0.70 O ATOM 0 H SER B 62 19.135 9.683 -4.874 1.00 0.55 H new ATOM 0 HA SER B 62 18.175 10.943 -7.229 1.00 0.59 H new ATOM 0 HB2 SER B 62 19.704 12.836 -6.276 1.00 0.61 H new ATOM 0 HB3 SER B 62 18.306 12.335 -5.345 1.00 0.61 H new ATOM 0 HG SER B 62 19.576 11.353 -3.875 1.00 0.70 H new ATOM 2403 N LYS B 63 21.230 9.876 -7.322 1.00 0.63 N ATOM 2404 CA LYS B 63 22.395 9.721 -8.182 1.00 0.69 C ATOM 2405 C LYS B 63 22.174 8.630 -9.232 1.00 0.71 C ATOM 2406 O LYS B 63 22.989 8.454 -10.140 1.00 0.82 O ATOM 2407 CB LYS B 63 23.628 9.397 -7.336 1.00 0.72 C ATOM 2408 CG LYS B 63 24.925 9.974 -7.884 1.00 0.84 C ATOM 2409 CD LYS B 63 24.897 11.495 -7.909 1.00 1.00 C ATOM 2410 CE LYS B 63 26.268 12.078 -8.222 1.00 1.04 C ATOM 2411 NZ LYS B 63 26.802 11.590 -9.523 1.00 1.28 N ATOM 0 H LYS B 63 21.243 9.296 -6.483 1.00 0.63 H new ATOM 0 HA LYS B 63 22.554 10.662 -8.708 1.00 0.69 H new ATOM 0 HB2 LYS B 63 23.472 9.776 -6.326 1.00 0.72 H new ATOM 0 HB3 LYS B 63 23.728 8.314 -7.259 1.00 0.72 H new ATOM 0 HG2 LYS B 63 25.761 9.635 -7.272 1.00 0.84 H new ATOM 0 HG3 LYS B 63 25.094 9.596 -8.892 1.00 0.84 H new ATOM 0 HD2 LYS B 63 24.178 11.834 -8.655 1.00 1.00 H new ATOM 0 HD3 LYS B 63 24.554 11.869 -6.944 1.00 1.00 H new ATOM 0 HE2 LYS B 63 26.202 13.166 -8.243 1.00 1.04 H new ATOM 0 HE3 LYS B 63 26.963 11.816 -7.424 1.00 1.04 H new ATOM 0 HZ1 LYS B 63 27.679 12.101 -9.752 1.00 1.28 H new ATOM 0 HZ2 LYS B 63 27.002 10.572 -9.456 1.00 1.28 H new ATOM 0 HZ3 LYS B 63 26.099 11.757 -10.271 1.00 1.28 H new ATOM 2425 N ARG B 64 21.078 7.894 -9.108 1.00 0.67 N ATOM 2426 CA ARG B 64 20.771 6.830 -10.057 1.00 0.70 C ATOM 2427 C ARG B 64 19.551 7.183 -10.900 1.00 0.70 C ATOM 2428 O ARG B 64 19.578 7.067 -12.125 1.00 0.75 O ATOM 2429 CB ARG B 64 20.540 5.506 -9.326 1.00 0.70 C ATOM 2430 CG ARG B 64 21.812 4.888 -8.759 1.00 0.72 C ATOM 2431 CD ARG B 64 22.849 4.630 -9.841 1.00 0.81 C ATOM 2432 NE ARG B 64 23.917 5.630 -9.833 1.00 0.84 N ATOM 2433 CZ ARG B 64 25.129 5.419 -9.314 1.00 0.95 C ATOM 2434 NH1 ARG B 64 25.431 4.252 -8.760 1.00 1.05 N ATOM 2435 NH2 ARG B 64 26.050 6.374 -9.358 1.00 1.07 N ATOM 0 H ARG B 64 20.390 8.012 -8.365 1.00 0.67 H new ATOM 0 HA ARG B 64 21.627 6.719 -10.722 1.00 0.70 H new ATOM 0 HB2 ARG B 64 19.832 5.669 -8.513 1.00 0.70 H new ATOM 0 HB3 ARG B 64 20.078 4.798 -10.014 1.00 0.70 H new ATOM 0 HG2 ARG B 64 22.233 5.552 -8.004 1.00 0.72 H new ATOM 0 HG3 ARG B 64 21.568 3.951 -8.259 1.00 0.72 H new ATOM 0 HD2 ARG B 64 23.280 3.639 -9.699 1.00 0.81 H new ATOM 0 HD3 ARG B 64 22.362 4.629 -10.816 1.00 0.81 H new ATOM 0 HE ARG B 64 23.724 6.542 -10.248 1.00 0.84 H new ATOM 0 HH11 ARG B 64 24.735 3.507 -8.728 1.00 1.05 H new ATOM 0 HH12 ARG B 64 26.359 4.100 -8.366 1.00 1.05 H new ATOM 0 HH21 ARG B 64 25.833 7.272 -9.789 1.00 1.07 H new ATOM 0 HH22 ARG B 64 26.975 6.209 -8.961 1.00 1.07 H new ATOM 2449 N PHE B 65 18.487 7.623 -10.242 1.00 0.67 N ATOM 2450 CA PHE B 65 17.257 7.993 -10.933 1.00 0.68 C ATOM 2451 C PHE B 65 17.351 9.415 -11.469 1.00 0.70 C ATOM 2452 O PHE B 65 16.612 9.794 -12.378 1.00 0.75 O ATOM 2453 CB PHE B 65 16.061 7.869 -9.986 1.00 0.66 C ATOM 2454 CG PHE B 65 15.097 6.784 -10.370 1.00 0.68 C ATOM 2455 CD1 PHE B 65 14.075 7.033 -11.272 1.00 0.82 C ATOM 2456 CD2 PHE B 65 15.213 5.513 -9.830 1.00 0.88 C ATOM 2457 CE1 PHE B 65 13.187 6.035 -11.628 1.00 0.97 C ATOM 2458 CE2 PHE B 65 14.330 4.511 -10.183 1.00 1.02 C ATOM 2459 CZ PHE B 65 13.316 4.774 -11.083 1.00 1.00 C ATOM 0 H PHE B 65 18.450 7.733 -9.229 1.00 0.67 H new ATOM 0 HA PHE B 65 17.117 7.313 -11.773 1.00 0.68 H new ATOM 0 HB2 PHE B 65 16.426 7.678 -8.977 1.00 0.66 H new ATOM 0 HB3 PHE B 65 15.531 8.821 -9.958 1.00 0.66 H new ATOM 0 HD1 PHE B 65 13.971 8.018 -11.702 1.00 0.82 H new ATOM 0 HD2 PHE B 65 16.003 5.303 -9.125 1.00 0.88 H new ATOM 0 HE1 PHE B 65 12.394 6.242 -12.331 1.00 0.97 H new ATOM 0 HE2 PHE B 65 14.432 3.524 -9.756 1.00 1.02 H new ATOM 0 HZ PHE B 65 12.624 3.993 -11.360 1.00 1.00 H new ATOM 2469 N LYS B 66 18.270 10.188 -10.891 1.00 0.68 N ATOM 2470 CA LYS B 66 18.497 11.578 -11.282 1.00 0.71 C ATOM 2471 C LYS B 66 17.231 12.412 -11.094 1.00 0.70 C ATOM 2472 O LYS B 66 16.401 12.524 -11.999 1.00 0.83 O ATOM 2473 CB LYS B 66 18.986 11.653 -12.731 1.00 0.79 C ATOM 2474 CG LYS B 66 19.643 12.977 -13.092 1.00 0.93 C ATOM 2475 CD LYS B 66 20.396 12.884 -14.411 1.00 1.05 C ATOM 2476 CE LYS B 66 19.453 12.624 -15.577 1.00 1.07 C ATOM 2477 NZ LYS B 66 20.192 12.333 -16.833 1.00 1.27 N ATOM 0 H LYS B 66 18.878 9.867 -10.138 1.00 0.68 H new ATOM 0 HA LYS B 66 19.270 11.992 -10.635 1.00 0.71 H new ATOM 0 HB2 LYS B 66 19.697 10.846 -12.906 1.00 0.79 H new ATOM 0 HB3 LYS B 66 18.141 11.484 -13.399 1.00 0.79 H new ATOM 0 HG2 LYS B 66 18.883 13.755 -13.160 1.00 0.93 H new ATOM 0 HG3 LYS B 66 20.331 13.271 -12.299 1.00 0.93 H new ATOM 0 HD2 LYS B 66 20.943 13.811 -14.584 1.00 1.05 H new ATOM 0 HD3 LYS B 66 21.134 12.084 -14.354 1.00 1.05 H new ATOM 0 HE2 LYS B 66 18.801 11.784 -15.336 1.00 1.07 H new ATOM 0 HE3 LYS B 66 18.812 13.493 -15.726 1.00 1.07 H new ATOM 0 HZ1 LYS B 66 19.514 12.162 -17.603 1.00 1.27 H new ATOM 0 HZ2 LYS B 66 20.795 13.144 -17.077 1.00 1.27 H new ATOM 0 HZ3 LYS B 66 20.785 11.489 -16.699 1.00 1.27 H new ATOM 2491 N SER B 67 17.081 12.975 -9.902 1.00 0.66 N ATOM 2492 CA SER B 67 15.920 13.792 -9.587 1.00 0.68 C ATOM 2493 C SER B 67 16.240 14.771 -8.452 1.00 0.69 C ATOM 2494 O SER B 67 16.920 15.776 -8.668 1.00 0.90 O ATOM 2495 CB SER B 67 14.729 12.899 -9.222 1.00 0.68 C ATOM 2496 OG SER B 67 13.519 13.640 -9.163 1.00 1.34 O ATOM 0 H SER B 67 17.750 12.880 -9.138 1.00 0.66 H new ATOM 0 HA SER B 67 15.654 14.376 -10.468 1.00 0.68 H new ATOM 0 HB2 SER B 67 14.632 12.101 -9.959 1.00 0.68 H new ATOM 0 HB3 SER B 67 14.912 12.423 -8.259 1.00 0.68 H new ATOM 0 HG SER B 67 12.779 13.041 -8.930 1.00 1.34 H new ATOM 2502 N GLN B 68 15.778 14.466 -7.243 1.00 0.59 N ATOM 2503 CA GLN B 68 16.014 15.331 -6.095 1.00 0.59 C ATOM 2504 C GLN B 68 16.552 14.526 -4.921 1.00 0.54 C ATOM 2505 O GLN B 68 16.542 13.295 -4.951 1.00 0.52 O ATOM 2506 CB GLN B 68 14.723 16.043 -5.696 1.00 0.64 C ATOM 2507 CG GLN B 68 14.350 17.189 -6.622 1.00 0.79 C ATOM 2508 CD GLN B 68 12.943 17.692 -6.379 1.00 0.85 C ATOM 2509 OE1 GLN B 68 12.051 16.922 -6.028 1.00 1.14 O ATOM 2510 NE2 GLN B 68 12.733 18.984 -6.567 1.00 1.09 N ATOM 0 H GLN B 68 15.238 13.626 -7.034 1.00 0.59 H new ATOM 0 HA GLN B 68 16.758 16.078 -6.373 1.00 0.59 H new ATOM 0 HB2 GLN B 68 13.908 15.319 -5.681 1.00 0.64 H new ATOM 0 HB3 GLN B 68 14.828 16.426 -4.681 1.00 0.64 H new ATOM 0 HG2 GLN B 68 15.055 18.009 -6.484 1.00 0.79 H new ATOM 0 HG3 GLN B 68 14.442 16.861 -7.657 1.00 0.79 H new ATOM 0 HE21 GLN B 68 13.501 19.588 -6.858 1.00 1.09 H new ATOM 0 HE22 GLN B 68 11.803 19.376 -6.420 1.00 1.09 H new ATOM 2519 N THR B 69 17.029 15.221 -3.899 1.00 0.56 N ATOM 2520 CA THR B 69 17.574 14.565 -2.720 1.00 0.56 C ATOM 2521 C THR B 69 16.945 15.103 -1.433 1.00 0.54 C ATOM 2522 O THR B 69 16.681 14.350 -0.498 1.00 0.55 O ATOM 2523 CB THR B 69 19.101 14.755 -2.651 1.00 0.63 C ATOM 2524 OG1 THR B 69 19.648 14.765 -3.976 1.00 0.74 O ATOM 2525 CG2 THR B 69 19.753 13.644 -1.843 1.00 0.70 C ATOM 0 H THR B 69 17.050 16.240 -3.863 1.00 0.56 H new ATOM 0 HA THR B 69 17.338 13.504 -2.807 1.00 0.56 H new ATOM 0 HB THR B 69 19.304 15.706 -2.159 1.00 0.63 H new ATOM 0 HG1 THR B 69 20.619 14.888 -3.928 1.00 0.74 H new ATOM 0 HG21 THR B 69 20.831 13.802 -1.810 1.00 0.70 H new ATOM 0 HG22 THR B 69 19.354 13.650 -0.829 1.00 0.70 H new ATOM 0 HG23 THR B 69 19.542 12.682 -2.310 1.00 0.70 H new ATOM 2533 N ASP B 70 16.703 16.407 -1.396 1.00 0.56 N ATOM 2534 CA ASP B 70 16.116 17.045 -0.221 1.00 0.58 C ATOM 2535 C ASP B 70 14.643 16.693 -0.077 1.00 0.55 C ATOM 2536 O ASP B 70 14.216 16.189 0.962 1.00 0.57 O ATOM 2537 CB ASP B 70 16.276 18.565 -0.298 1.00 0.66 C ATOM 2538 CG ASP B 70 15.526 19.286 0.806 1.00 0.76 C ATOM 2539 OD1 ASP B 70 15.953 19.191 1.977 1.00 0.99 O ATOM 2540 OD2 ASP B 70 14.508 19.947 0.505 1.00 0.95 O ATOM 0 H ASP B 70 16.904 17.045 -2.166 1.00 0.56 H new ATOM 0 HA ASP B 70 16.647 16.671 0.654 1.00 0.58 H new ATOM 0 HB2 ASP B 70 17.334 18.819 -0.239 1.00 0.66 H new ATOM 0 HB3 ASP B 70 15.917 18.916 -1.266 1.00 0.66 H new ATOM 2545 N GLN B 71 13.875 16.943 -1.128 1.00 0.56 N ATOM 2546 CA GLN B 71 12.443 16.665 -1.117 1.00 0.58 C ATOM 2547 C GLN B 71 12.151 15.218 -1.496 1.00 0.54 C ATOM 2548 O GLN B 71 11.021 14.870 -1.824 1.00 0.66 O ATOM 2549 CB GLN B 71 11.711 17.620 -2.061 1.00 0.65 C ATOM 2550 CG GLN B 71 11.266 18.907 -1.389 1.00 0.83 C ATOM 2551 CD GLN B 71 11.755 20.140 -2.114 1.00 0.92 C ATOM 2552 OE1 GLN B 71 11.100 20.632 -3.034 1.00 1.13 O ATOM 2553 NE2 GLN B 71 12.907 20.648 -1.709 1.00 1.18 N ATOM 0 H GLN B 71 14.220 17.339 -2.002 1.00 0.56 H new ATOM 0 HA GLN B 71 12.081 16.821 -0.101 1.00 0.58 H new ATOM 0 HB2 GLN B 71 12.365 17.863 -2.899 1.00 0.65 H new ATOM 0 HB3 GLN B 71 10.839 17.114 -2.474 1.00 0.65 H new ATOM 0 HG2 GLN B 71 10.177 18.928 -1.337 1.00 0.83 H new ATOM 0 HG3 GLN B 71 11.634 18.923 -0.363 1.00 0.83 H new ATOM 0 HE21 GLN B 71 13.417 20.208 -0.943 1.00 1.18 H new ATOM 0 HE22 GLN B 71 13.285 21.479 -2.163 1.00 1.18 H new ATOM 2562 N LEU B 72 13.176 14.380 -1.440 1.00 0.51 N ATOM 2563 CA LEU B 72 13.023 12.969 -1.760 1.00 0.49 C ATOM 2564 C LEU B 72 12.426 12.239 -0.560 1.00 0.43 C ATOM 2565 O LEU B 72 13.146 11.805 0.338 1.00 0.51 O ATOM 2566 CB LEU B 72 14.376 12.357 -2.138 1.00 0.57 C ATOM 2567 CG LEU B 72 14.305 11.033 -2.897 1.00 0.72 C ATOM 2568 CD1 LEU B 72 14.010 11.273 -4.371 1.00 0.88 C ATOM 2569 CD2 LEU B 72 15.597 10.255 -2.729 1.00 1.00 C ATOM 0 H LEU B 72 14.123 14.653 -1.176 1.00 0.51 H new ATOM 0 HA LEU B 72 12.352 12.866 -2.613 1.00 0.49 H new ATOM 0 HB2 LEU B 72 14.924 13.076 -2.746 1.00 0.57 H new ATOM 0 HB3 LEU B 72 14.954 12.204 -1.227 1.00 0.57 H new ATOM 0 HG LEU B 72 13.490 10.441 -2.480 1.00 0.72 H new ATOM 0 HD11 LEU B 72 13.964 10.317 -4.893 1.00 0.88 H new ATOM 0 HD12 LEU B 72 13.055 11.788 -4.472 1.00 0.88 H new ATOM 0 HD13 LEU B 72 14.800 11.886 -4.805 1.00 0.88 H new ATOM 0 HD21 LEU B 72 15.529 9.315 -3.276 1.00 1.00 H new ATOM 0 HD22 LEU B 72 16.429 10.842 -3.118 1.00 1.00 H new ATOM 0 HD23 LEU B 72 15.762 10.048 -1.672 1.00 1.00 H new ATOM 2581 N VAL B 73 11.107 12.132 -0.533 1.00 0.37 N ATOM 2582 CA VAL B 73 10.421 11.478 0.572 1.00 0.35 C ATOM 2583 C VAL B 73 9.884 10.112 0.167 1.00 0.30 C ATOM 2584 O VAL B 73 9.204 9.975 -0.850 1.00 0.31 O ATOM 2585 CB VAL B 73 9.251 12.337 1.089 1.00 0.42 C ATOM 2586 CG1 VAL B 73 8.720 11.791 2.405 1.00 0.46 C ATOM 2587 CG2 VAL B 73 9.669 13.792 1.237 1.00 0.55 C ATOM 0 H VAL B 73 10.490 12.489 -1.262 1.00 0.37 H new ATOM 0 HA VAL B 73 11.158 11.352 1.365 1.00 0.35 H new ATOM 0 HB VAL B 73 8.448 12.290 0.354 1.00 0.42 H new ATOM 0 HG11 VAL B 73 7.895 12.413 2.751 1.00 0.46 H new ATOM 0 HG12 VAL B 73 8.368 10.770 2.260 1.00 0.46 H new ATOM 0 HG13 VAL B 73 9.516 11.798 3.149 1.00 0.46 H new ATOM 0 HG21 VAL B 73 8.826 14.377 1.603 1.00 0.55 H new ATOM 0 HG22 VAL B 73 10.495 13.863 1.945 1.00 0.55 H new ATOM 0 HG23 VAL B 73 9.987 14.180 0.269 1.00 0.55 H new ATOM 2597 N LEU B 74 10.192 9.104 0.972 1.00 0.30 N ATOM 2598 CA LEU B 74 9.724 7.751 0.722 1.00 0.29 C ATOM 2599 C LEU B 74 8.455 7.515 1.529 1.00 0.28 C ATOM 2600 O LEU B 74 8.282 8.098 2.593 1.00 0.36 O ATOM 2601 CB LEU B 74 10.797 6.719 1.096 1.00 0.33 C ATOM 2602 CG LEU B 74 11.878 6.454 0.035 1.00 0.42 C ATOM 2603 CD1 LEU B 74 11.253 6.066 -1.298 1.00 0.57 C ATOM 2604 CD2 LEU B 74 12.786 7.663 -0.140 1.00 0.64 C ATOM 0 H LEU B 74 10.768 9.201 1.808 1.00 0.30 H new ATOM 0 HA LEU B 74 9.513 7.635 -0.341 1.00 0.29 H new ATOM 0 HB2 LEU B 74 11.288 7.050 2.011 1.00 0.33 H new ATOM 0 HB3 LEU B 74 10.301 5.775 1.324 1.00 0.33 H new ATOM 0 HG LEU B 74 12.484 5.619 0.387 1.00 0.42 H new ATOM 0 HD11 LEU B 74 12.040 5.884 -2.030 1.00 0.57 H new ATOM 0 HD12 LEU B 74 10.659 5.161 -1.172 1.00 0.57 H new ATOM 0 HD13 LEU B 74 10.612 6.875 -1.648 1.00 0.57 H new ATOM 0 HD21 LEU B 74 13.540 7.445 -0.896 1.00 0.64 H new ATOM 0 HD22 LEU B 74 12.193 8.521 -0.456 1.00 0.64 H new ATOM 0 HD23 LEU B 74 13.277 7.890 0.807 1.00 0.64 H new ATOM 2616 N ILE B 75 7.564 6.684 1.022 1.00 0.29 N ATOM 2617 CA ILE B 75 6.308 6.408 1.707 1.00 0.33 C ATOM 2618 C ILE B 75 6.130 4.921 1.974 1.00 0.31 C ATOM 2619 O ILE B 75 6.366 4.100 1.094 1.00 0.36 O ATOM 2620 CB ILE B 75 5.099 6.895 0.877 1.00 0.43 C ATOM 2621 CG1 ILE B 75 5.214 8.391 0.560 1.00 0.47 C ATOM 2622 CG2 ILE B 75 3.796 6.595 1.600 1.00 0.54 C ATOM 2623 CD1 ILE B 75 5.427 9.266 1.779 1.00 0.74 C ATOM 0 H ILE B 75 7.683 6.187 0.139 1.00 0.29 H new ATOM 0 HA ILE B 75 6.351 6.946 2.654 1.00 0.33 H new ATOM 0 HB ILE B 75 5.099 6.352 -0.068 1.00 0.43 H new ATOM 0 HG12 ILE B 75 6.042 8.542 -0.132 1.00 0.47 H new ATOM 0 HG13 ILE B 75 4.308 8.714 0.048 1.00 0.47 H new ATOM 0 HG21 ILE B 75 2.957 6.946 0.999 1.00 0.54 H new ATOM 0 HG22 ILE B 75 3.706 5.520 1.756 1.00 0.54 H new ATOM 0 HG23 ILE B 75 3.789 7.104 2.564 1.00 0.54 H new ATOM 0 HD11 ILE B 75 5.498 10.309 1.470 1.00 0.74 H new ATOM 0 HD12 ILE B 75 4.587 9.147 2.464 1.00 0.74 H new ATOM 0 HD13 ILE B 75 6.349 8.973 2.281 1.00 0.74 H new ATOM 2635 N PHE B 76 5.709 4.584 3.185 1.00 0.31 N ATOM 2636 CA PHE B 76 5.473 3.195 3.546 1.00 0.35 C ATOM 2637 C PHE B 76 4.088 3.024 4.176 1.00 0.31 C ATOM 2638 O PHE B 76 3.961 2.840 5.389 1.00 0.40 O ATOM 2639 CB PHE B 76 6.568 2.676 4.489 1.00 0.48 C ATOM 2640 CG PHE B 76 6.379 1.240 4.894 1.00 0.55 C ATOM 2641 CD1 PHE B 76 6.243 0.248 3.939 1.00 0.65 C ATOM 2642 CD2 PHE B 76 6.324 0.892 6.234 1.00 0.62 C ATOM 2643 CE1 PHE B 76 6.053 -1.066 4.311 1.00 0.77 C ATOM 2644 CE2 PHE B 76 6.137 -0.423 6.613 1.00 0.72 C ATOM 2645 CZ PHE B 76 6.000 -1.403 5.649 1.00 0.78 C ATOM 0 H PHE B 76 5.524 5.253 3.933 1.00 0.31 H new ATOM 0 HA PHE B 76 5.507 2.601 2.633 1.00 0.35 H new ATOM 0 HB2 PHE B 76 7.537 2.783 4.002 1.00 0.48 H new ATOM 0 HB3 PHE B 76 6.591 3.298 5.384 1.00 0.48 H new ATOM 0 HD1 PHE B 76 6.286 0.506 2.891 1.00 0.65 H new ATOM 0 HD2 PHE B 76 6.428 1.657 6.990 1.00 0.62 H new ATOM 0 HE1 PHE B 76 5.946 -1.831 3.556 1.00 0.77 H new ATOM 0 HE2 PHE B 76 6.098 -0.684 7.660 1.00 0.72 H new ATOM 0 HZ PHE B 76 5.852 -2.432 5.942 1.00 0.78 H new ATOM 2655 N ALA B 77 3.056 3.138 3.340 1.00 0.40 N ATOM 2656 CA ALA B 77 1.666 2.965 3.767 1.00 0.48 C ATOM 2657 C ALA B 77 1.306 3.852 4.958 1.00 0.41 C ATOM 2658 O ALA B 77 1.318 3.406 6.108 1.00 0.44 O ATOM 2659 CB ALA B 77 1.392 1.499 4.088 1.00 0.62 C ATOM 0 H ALA B 77 3.159 3.353 2.348 1.00 0.40 H new ATOM 0 HA ALA B 77 1.031 3.277 2.937 1.00 0.48 H new ATOM 0 HB1 ALA B 77 0.355 1.383 4.404 1.00 0.62 H new ATOM 0 HB2 ALA B 77 1.570 0.893 3.200 1.00 0.62 H new ATOM 0 HB3 ALA B 77 2.054 1.172 4.889 1.00 0.62 H new ATOM 2665 N GLY B 78 0.973 5.107 4.679 1.00 0.46 N ATOM 2666 CA GLY B 78 0.619 6.031 5.739 1.00 0.54 C ATOM 2667 C GLY B 78 1.789 6.367 6.640 1.00 0.50 C ATOM 2668 O GLY B 78 1.623 6.507 7.854 1.00 0.63 O ATOM 0 H GLY B 78 0.942 5.500 3.738 1.00 0.46 H new ATOM 0 HA2 GLY B 78 0.230 6.949 5.299 1.00 0.54 H new ATOM 0 HA3 GLY B 78 -0.183 5.599 6.338 1.00 0.54 H new ATOM 2672 N LYS B 79 2.970 6.497 6.049 1.00 0.42 N ATOM 2673 CA LYS B 79 4.169 6.818 6.805 1.00 0.43 C ATOM 2674 C LYS B 79 5.179 7.534 5.918 1.00 0.39 C ATOM 2675 O LYS B 79 5.454 7.088 4.801 1.00 0.43 O ATOM 2676 CB LYS B 79 4.794 5.543 7.377 1.00 0.50 C ATOM 2677 CG LYS B 79 4.510 5.330 8.853 1.00 0.72 C ATOM 2678 CD LYS B 79 3.359 6.209 9.325 1.00 1.16 C ATOM 2679 CE LYS B 79 3.735 7.015 10.558 1.00 1.57 C ATOM 2680 NZ LYS B 79 2.534 7.462 11.318 1.00 2.02 N ATOM 0 H LYS B 79 3.121 6.384 5.047 1.00 0.42 H new ATOM 0 HA LYS B 79 3.891 7.477 7.628 1.00 0.43 H new ATOM 0 HB2 LYS B 79 4.422 4.685 6.818 1.00 0.50 H new ATOM 0 HB3 LYS B 79 5.873 5.579 7.226 1.00 0.50 H new ATOM 0 HG2 LYS B 79 4.268 4.282 9.032 1.00 0.72 H new ATOM 0 HG3 LYS B 79 5.404 5.554 9.434 1.00 0.72 H new ATOM 0 HD2 LYS B 79 3.066 6.886 8.523 1.00 1.16 H new ATOM 0 HD3 LYS B 79 2.493 5.586 9.548 1.00 1.16 H new ATOM 0 HE2 LYS B 79 4.371 6.412 11.206 1.00 1.57 H new ATOM 0 HE3 LYS B 79 4.319 7.885 10.259 1.00 1.57 H new ATOM 0 HZ1 LYS B 79 2.834 8.008 12.151 1.00 2.02 H new ATOM 0 HZ2 LYS B 79 1.940 8.059 10.708 1.00 2.02 H new ATOM 0 HZ3 LYS B 79 1.989 6.631 11.626 1.00 2.02 H new ATOM 2694 N ILE B 80 5.717 8.641 6.413 1.00 0.37 N ATOM 2695 CA ILE B 80 6.706 9.414 5.667 1.00 0.39 C ATOM 2696 C ILE B 80 8.116 8.998 6.075 1.00 0.39 C ATOM 2697 O ILE B 80 8.559 9.266 7.191 1.00 0.61 O ATOM 2698 CB ILE B 80 6.539 10.945 5.859 1.00 0.52 C ATOM 2699 CG1 ILE B 80 5.753 11.280 7.134 1.00 0.67 C ATOM 2700 CG2 ILE B 80 5.844 11.550 4.650 1.00 0.97 C ATOM 2701 CD1 ILE B 80 6.601 11.326 8.390 1.00 1.18 C ATOM 0 H ILE B 80 5.486 9.026 7.329 1.00 0.37 H new ATOM 0 HA ILE B 80 6.543 9.198 4.611 1.00 0.39 H new ATOM 0 HB ILE B 80 7.536 11.373 5.961 1.00 0.52 H new ATOM 0 HG12 ILE B 80 5.264 12.245 7.003 1.00 0.67 H new ATOM 0 HG13 ILE B 80 4.965 10.539 7.267 1.00 0.67 H new ATOM 0 HG21 ILE B 80 5.732 12.624 4.795 1.00 0.97 H new ATOM 0 HG22 ILE B 80 6.441 11.365 3.757 1.00 0.97 H new ATOM 0 HG23 ILE B 80 4.861 11.095 4.530 1.00 0.97 H new ATOM 0 HD11 ILE B 80 5.971 11.569 9.246 1.00 1.18 H new ATOM 0 HD12 ILE B 80 7.070 10.355 8.548 1.00 1.18 H new ATOM 0 HD13 ILE B 80 7.373 12.088 8.280 1.00 1.18 H new ATOM 2713 N LEU B 81 8.811 8.332 5.167 1.00 0.30 N ATOM 2714 CA LEU B 81 10.164 7.863 5.427 1.00 0.34 C ATOM 2715 C LEU B 81 11.197 8.878 4.954 1.00 0.36 C ATOM 2716 O LEU B 81 11.104 9.423 3.845 1.00 0.46 O ATOM 2717 CB LEU B 81 10.401 6.512 4.750 1.00 0.44 C ATOM 2718 CG LEU B 81 10.031 5.281 5.586 1.00 0.57 C ATOM 2719 CD1 LEU B 81 8.556 5.294 5.950 1.00 1.01 C ATOM 2720 CD2 LEU B 81 10.371 4.008 4.832 1.00 0.78 C ATOM 0 H LEU B 81 8.458 8.103 4.238 1.00 0.30 H new ATOM 0 HA LEU B 81 10.276 7.741 6.504 1.00 0.34 H new ATOM 0 HB2 LEU B 81 9.829 6.485 3.822 1.00 0.44 H new ATOM 0 HB3 LEU B 81 11.454 6.441 4.478 1.00 0.44 H new ATOM 0 HG LEU B 81 10.612 5.312 6.508 1.00 0.57 H new ATOM 0 HD11 LEU B 81 8.320 4.410 6.543 1.00 1.01 H new ATOM 0 HD12 LEU B 81 8.332 6.190 6.529 1.00 1.01 H new ATOM 0 HD13 LEU B 81 7.957 5.291 5.040 1.00 1.01 H new ATOM 0 HD21 LEU B 81 10.102 3.143 5.439 1.00 0.78 H new ATOM 0 HD22 LEU B 81 9.815 3.981 3.895 1.00 0.78 H new ATOM 0 HD23 LEU B 81 11.440 3.985 4.620 1.00 0.78 H new ATOM 2732 N LYS B 82 12.181 9.121 5.800 1.00 0.39 N ATOM 2733 CA LYS B 82 13.242 10.066 5.512 1.00 0.47 C ATOM 2734 C LYS B 82 14.468 9.733 6.347 1.00 0.49 C ATOM 2735 O LYS B 82 14.590 8.631 6.874 1.00 0.63 O ATOM 2736 CB LYS B 82 12.769 11.494 5.811 1.00 0.54 C ATOM 2737 CG LYS B 82 12.946 12.458 4.647 1.00 0.94 C ATOM 2738 CD LYS B 82 12.295 13.800 4.931 1.00 1.01 C ATOM 2739 CE LYS B 82 10.777 13.701 4.922 1.00 1.22 C ATOM 2740 NZ LYS B 82 10.134 14.968 5.357 1.00 1.35 N ATOM 0 H LYS B 82 12.266 8.667 6.709 1.00 0.39 H new ATOM 0 HA LYS B 82 13.504 9.999 4.456 1.00 0.47 H new ATOM 0 HB2 LYS B 82 11.716 11.466 6.090 1.00 0.54 H new ATOM 0 HB3 LYS B 82 13.317 11.875 6.672 1.00 0.54 H new ATOM 0 HG2 LYS B 82 14.009 12.602 4.451 1.00 0.94 H new ATOM 0 HG3 LYS B 82 12.512 12.025 3.746 1.00 0.94 H new ATOM 0 HD2 LYS B 82 12.630 14.169 5.900 1.00 1.01 H new ATOM 0 HD3 LYS B 82 12.617 14.526 4.185 1.00 1.01 H new ATOM 0 HE2 LYS B 82 10.436 13.448 3.918 1.00 1.22 H new ATOM 0 HE3 LYS B 82 10.463 12.890 5.580 1.00 1.22 H new ATOM 0 HZ1 LYS B 82 9.100 14.857 5.336 1.00 1.35 H new ATOM 0 HZ2 LYS B 82 10.438 15.197 6.325 1.00 1.35 H new ATOM 0 HZ3 LYS B 82 10.413 15.737 4.715 1.00 1.35 H new ATOM 2754 N ASP B 83 15.371 10.688 6.479 1.00 0.60 N ATOM 2755 CA ASP B 83 16.578 10.488 7.267 1.00 0.68 C ATOM 2756 C ASP B 83 16.294 10.703 8.751 1.00 0.68 C ATOM 2757 O ASP B 83 17.207 10.714 9.576 1.00 0.89 O ATOM 2758 CB ASP B 83 17.695 11.422 6.792 1.00 0.88 C ATOM 2759 CG ASP B 83 17.250 12.866 6.667 1.00 1.20 C ATOM 2760 OD1 ASP B 83 16.592 13.201 5.654 1.00 1.56 O ATOM 2761 OD2 ASP B 83 17.565 13.673 7.568 1.00 1.52 O ATOM 0 H ASP B 83 15.293 11.611 6.051 1.00 0.60 H new ATOM 0 HA ASP B 83 16.910 9.459 7.127 1.00 0.68 H new ATOM 0 HB2 ASP B 83 18.530 11.365 7.490 1.00 0.88 H new ATOM 0 HB3 ASP B 83 18.063 11.077 5.826 1.00 0.88 H new ATOM 2766 N GLN B 84 15.016 10.860 9.079 1.00 0.60 N ATOM 2767 CA GLN B 84 14.587 11.057 10.457 1.00 0.67 C ATOM 2768 C GLN B 84 14.280 9.710 11.103 1.00 0.61 C ATOM 2769 O GLN B 84 14.375 9.551 12.321 1.00 0.81 O ATOM 2770 CB GLN B 84 13.347 11.951 10.506 1.00 0.77 C ATOM 2771 CG GLN B 84 13.589 13.372 10.019 1.00 0.93 C ATOM 2772 CD GLN B 84 12.319 14.198 10.003 1.00 1.13 C ATOM 2773 OE1 GLN B 84 11.390 13.950 10.772 1.00 1.32 O ATOM 2774 NE2 GLN B 84 12.266 15.191 9.131 1.00 1.28 N ATOM 0 H GLN B 84 14.254 10.854 8.401 1.00 0.60 H new ATOM 0 HA GLN B 84 15.392 11.544 11.007 1.00 0.67 H new ATOM 0 HB2 GLN B 84 12.562 11.499 9.900 1.00 0.77 H new ATOM 0 HB3 GLN B 84 12.978 11.987 11.531 1.00 0.77 H new ATOM 0 HG2 GLN B 84 14.325 13.854 10.662 1.00 0.93 H new ATOM 0 HG3 GLN B 84 14.013 13.343 9.015 1.00 0.93 H new ATOM 0 HE21 GLN B 84 13.055 15.367 8.509 1.00 1.28 H new ATOM 0 HE22 GLN B 84 11.436 15.781 9.080 1.00 1.28 H new ATOM 2783 N ASP B 85 13.908 8.745 10.276 1.00 0.52 N ATOM 2784 CA ASP B 85 13.591 7.402 10.745 1.00 0.51 C ATOM 2785 C ASP B 85 14.601 6.412 10.175 1.00 0.44 C ATOM 2786 O ASP B 85 15.657 6.817 9.689 1.00 0.48 O ATOM 2787 CB ASP B 85 12.165 7.009 10.339 1.00 0.61 C ATOM 2788 CG ASP B 85 12.003 6.835 8.841 1.00 0.68 C ATOM 2789 OD1 ASP B 85 11.935 7.860 8.130 1.00 0.76 O ATOM 2790 OD2 ASP B 85 11.936 5.675 8.379 1.00 0.86 O ATOM 0 H ASP B 85 13.817 8.868 9.267 1.00 0.52 H new ATOM 0 HA ASP B 85 13.647 7.384 11.833 1.00 0.51 H new ATOM 0 HB2 ASP B 85 11.894 6.079 10.839 1.00 0.61 H new ATOM 0 HB3 ASP B 85 11.470 7.773 10.688 1.00 0.61 H new ATOM 2795 N THR B 86 14.304 5.124 10.258 1.00 0.49 N ATOM 2796 CA THR B 86 15.209 4.113 9.735 1.00 0.47 C ATOM 2797 C THR B 86 14.452 3.061 8.926 1.00 0.42 C ATOM 2798 O THR B 86 13.604 2.345 9.459 1.00 0.41 O ATOM 2799 CB THR B 86 15.999 3.424 10.863 1.00 0.54 C ATOM 2800 OG1 THR B 86 15.936 4.211 12.061 1.00 0.67 O ATOM 2801 CG2 THR B 86 17.453 3.235 10.456 1.00 0.67 C ATOM 0 H THR B 86 13.451 4.757 10.679 1.00 0.49 H new ATOM 0 HA THR B 86 15.913 4.626 9.080 1.00 0.47 H new ATOM 0 HB THR B 86 15.552 2.447 11.048 1.00 0.54 H new ATOM 0 HG1 THR B 86 16.440 3.764 12.773 1.00 0.67 H new ATOM 0 HG21 THR B 86 17.997 2.747 11.265 1.00 0.67 H new ATOM 0 HG22 THR B 86 17.503 2.616 9.560 1.00 0.67 H new ATOM 0 HG23 THR B 86 17.903 4.207 10.251 1.00 0.67 H new ATOM 2809 N LEU B 87 14.777 2.972 7.639 1.00 0.43 N ATOM 2810 CA LEU B 87 14.141 2.022 6.727 1.00 0.42 C ATOM 2811 C LEU B 87 14.249 0.593 7.242 1.00 0.42 C ATOM 2812 O LEU B 87 13.302 -0.181 7.149 1.00 0.44 O ATOM 2813 CB LEU B 87 14.788 2.106 5.342 1.00 0.51 C ATOM 2814 CG LEU B 87 14.155 1.216 4.273 1.00 0.52 C ATOM 2815 CD1 LEU B 87 12.916 1.880 3.701 1.00 0.61 C ATOM 2816 CD2 LEU B 87 15.156 0.902 3.169 1.00 0.66 C ATOM 0 H LEU B 87 15.488 3.555 7.198 1.00 0.43 H new ATOM 0 HA LEU B 87 13.086 2.288 6.662 1.00 0.42 H new ATOM 0 HB2 LEU B 87 14.747 3.141 5.002 1.00 0.51 H new ATOM 0 HB3 LEU B 87 15.842 1.842 5.434 1.00 0.51 H new ATOM 0 HG LEU B 87 13.860 0.275 4.738 1.00 0.52 H new ATOM 0 HD11 LEU B 87 12.476 1.235 2.941 1.00 0.61 H new ATOM 0 HD12 LEU B 87 12.192 2.048 4.498 1.00 0.61 H new ATOM 0 HD13 LEU B 87 13.189 2.835 3.252 1.00 0.61 H new ATOM 0 HD21 LEU B 87 14.684 0.267 2.419 1.00 0.66 H new ATOM 0 HD22 LEU B 87 15.486 1.830 2.703 1.00 0.66 H new ATOM 0 HD23 LEU B 87 16.015 0.383 3.594 1.00 0.66 H new ATOM 2828 N ILE B 88 15.404 0.257 7.795 1.00 0.47 N ATOM 2829 CA ILE B 88 15.649 -1.082 8.316 1.00 0.53 C ATOM 2830 C ILE B 88 15.089 -1.260 9.727 1.00 0.54 C ATOM 2831 O ILE B 88 15.429 -2.220 10.420 1.00 0.66 O ATOM 2832 CB ILE B 88 17.159 -1.399 8.331 1.00 0.62 C ATOM 2833 CG1 ILE B 88 17.926 -0.324 9.111 1.00 0.65 C ATOM 2834 CG2 ILE B 88 17.687 -1.502 6.911 1.00 0.67 C ATOM 2835 CD1 ILE B 88 18.672 -0.865 10.310 1.00 0.91 C ATOM 0 H ILE B 88 16.192 0.897 7.896 1.00 0.47 H new ATOM 0 HA ILE B 88 15.134 -1.774 7.649 1.00 0.53 H new ATOM 0 HB ILE B 88 17.308 -2.357 8.829 1.00 0.62 H new ATOM 0 HG12 ILE B 88 18.635 0.163 8.441 1.00 0.65 H new ATOM 0 HG13 ILE B 88 17.225 0.441 9.444 1.00 0.65 H new ATOM 0 HG21 ILE B 88 18.753 -1.726 6.935 1.00 0.67 H new ATOM 0 HG22 ILE B 88 17.161 -2.298 6.384 1.00 0.67 H new ATOM 0 HG23 ILE B 88 17.526 -0.556 6.394 1.00 0.67 H new ATOM 0 HD11 ILE B 88 19.191 -0.050 10.814 1.00 0.91 H new ATOM 0 HD12 ILE B 88 17.966 -1.327 11.000 1.00 0.91 H new ATOM 0 HD13 ILE B 88 19.398 -1.609 9.982 1.00 0.91 H new ATOM 2847 N GLN B 89 14.231 -0.345 10.143 1.00 0.48 N ATOM 2848 CA GLN B 89 13.640 -0.407 11.471 1.00 0.53 C ATOM 2849 C GLN B 89 12.133 -0.634 11.397 1.00 0.52 C ATOM 2850 O GLN B 89 11.587 -1.456 12.134 1.00 0.71 O ATOM 2851 CB GLN B 89 13.938 0.879 12.242 1.00 0.57 C ATOM 2852 CG GLN B 89 13.423 0.879 13.672 1.00 0.69 C ATOM 2853 CD GLN B 89 14.209 -0.051 14.572 1.00 0.82 C ATOM 2854 OE1 GLN B 89 15.207 0.345 15.177 1.00 0.96 O ATOM 2855 NE2 GLN B 89 13.761 -1.291 14.676 1.00 0.89 N ATOM 0 H GLN B 89 13.927 0.450 9.581 1.00 0.48 H new ATOM 0 HA GLN B 89 14.084 -1.252 11.996 1.00 0.53 H new ATOM 0 HB2 GLN B 89 15.016 1.040 12.255 1.00 0.57 H new ATOM 0 HB3 GLN B 89 13.496 1.721 11.708 1.00 0.57 H new ATOM 0 HG2 GLN B 89 13.470 1.892 14.072 1.00 0.69 H new ATOM 0 HG3 GLN B 89 12.374 0.583 13.677 1.00 0.69 H new ATOM 0 HE21 GLN B 89 12.931 -1.578 14.158 1.00 0.89 H new ATOM 0 HE22 GLN B 89 14.246 -1.960 15.274 1.00 0.89 H new ATOM 2864 N HIS B 90 11.460 0.091 10.511 1.00 0.49 N ATOM 2865 CA HIS B 90 10.013 -0.044 10.383 1.00 0.51 C ATOM 2866 C HIS B 90 9.577 -0.193 8.926 1.00 0.50 C ATOM 2867 O HIS B 90 8.609 -0.898 8.643 1.00 0.75 O ATOM 2868 CB HIS B 90 9.312 1.167 11.018 1.00 0.59 C ATOM 2869 CG HIS B 90 7.817 1.122 10.934 1.00 0.72 C ATOM 2870 ND1 HIS B 90 7.058 2.165 10.444 1.00 0.96 N ATOM 2871 CD2 HIS B 90 6.940 0.154 11.281 1.00 0.92 C ATOM 2872 CE1 HIS B 90 5.779 1.838 10.494 1.00 1.14 C ATOM 2873 NE2 HIS B 90 5.682 0.623 11.000 1.00 1.10 N ATOM 0 H HIS B 90 11.885 0.769 9.879 1.00 0.49 H new ATOM 0 HA HIS B 90 9.722 -0.954 10.909 1.00 0.51 H new ATOM 0 HB2 HIS B 90 9.604 1.234 12.066 1.00 0.59 H new ATOM 0 HB3 HIS B 90 9.665 2.075 10.530 1.00 0.59 H new ATOM 0 HD2 HIS B 90 7.184 -0.810 11.702 1.00 0.92 H new ATOM 0 HE1 HIS B 90 4.954 2.458 10.175 1.00 1.14 H new ATOM 0 HE2 HIS B 90 4.812 0.115 11.157 1.00 1.10 H new ATOM 2882 N GLY B 91 10.277 0.476 8.015 1.00 0.45 N ATOM 2883 CA GLY B 91 9.930 0.409 6.606 1.00 0.46 C ATOM 2884 C GLY B 91 10.082 -0.978 6.003 1.00 0.45 C ATOM 2885 O GLY B 91 9.172 -1.807 6.077 1.00 0.64 O ATOM 0 H GLY B 91 11.082 1.066 8.228 1.00 0.45 H new ATOM 0 HA2 GLY B 91 8.899 0.739 6.479 1.00 0.46 H new ATOM 0 HA3 GLY B 91 10.559 1.107 6.053 1.00 0.46 H new ATOM 2889 N ILE B 92 11.233 -1.238 5.411 1.00 0.38 N ATOM 2890 CA ILE B 92 11.483 -2.521 4.776 1.00 0.39 C ATOM 2891 C ILE B 92 11.911 -3.557 5.800 1.00 0.41 C ATOM 2892 O ILE B 92 13.013 -3.493 6.347 1.00 0.46 O ATOM 2893 CB ILE B 92 12.552 -2.415 3.673 1.00 0.41 C ATOM 2894 CG1 ILE B 92 12.120 -1.394 2.616 1.00 0.40 C ATOM 2895 CG2 ILE B 92 12.805 -3.776 3.036 1.00 0.47 C ATOM 2896 CD1 ILE B 92 10.811 -1.731 1.935 1.00 0.43 C ATOM 0 H ILE B 92 12.010 -0.579 5.356 1.00 0.38 H new ATOM 0 HA ILE B 92 10.546 -2.835 4.316 1.00 0.39 H new ATOM 0 HB ILE B 92 13.484 -2.075 4.124 1.00 0.41 H new ATOM 0 HG12 ILE B 92 12.032 -0.415 3.086 1.00 0.40 H new ATOM 0 HG13 ILE B 92 12.902 -1.316 1.860 1.00 0.40 H new ATOM 0 HG21 ILE B 92 13.564 -3.679 2.259 1.00 0.47 H new ATOM 0 HG22 ILE B 92 13.152 -4.475 3.797 1.00 0.47 H new ATOM 0 HG23 ILE B 92 11.880 -4.149 2.596 1.00 0.47 H new ATOM 0 HD11 ILE B 92 10.574 -0.961 1.201 1.00 0.43 H new ATOM 0 HD12 ILE B 92 10.899 -2.695 1.434 1.00 0.43 H new ATOM 0 HD13 ILE B 92 10.016 -1.780 2.679 1.00 0.43 H new ATOM 2908 N HIS B 93 11.022 -4.499 6.069 1.00 0.46 N ATOM 2909 CA HIS B 93 11.300 -5.559 7.022 1.00 0.52 C ATOM 2910 C HIS B 93 12.034 -6.708 6.340 1.00 0.54 C ATOM 2911 O HIS B 93 13.052 -7.185 6.837 1.00 0.66 O ATOM 2912 CB HIS B 93 10.002 -6.050 7.665 1.00 0.58 C ATOM 2913 CG HIS B 93 9.590 -5.258 8.874 1.00 0.65 C ATOM 2914 ND1 HIS B 93 8.850 -4.092 8.804 1.00 1.25 N ATOM 2915 CD2 HIS B 93 9.823 -5.471 10.191 1.00 1.25 C ATOM 2916 CE1 HIS B 93 8.640 -3.632 10.027 1.00 1.14 C ATOM 2917 NE2 HIS B 93 9.221 -4.448 10.883 1.00 1.10 N ATOM 0 H HIS B 93 10.099 -4.550 5.639 1.00 0.46 H new ATOM 0 HA HIS B 93 11.943 -5.162 7.808 1.00 0.52 H new ATOM 0 HB2 HIS B 93 9.202 -6.010 6.925 1.00 0.58 H new ATOM 0 HB3 HIS B 93 10.121 -7.096 7.949 1.00 0.58 H new ATOM 0 HD2 HIS B 93 10.379 -6.293 10.618 1.00 1.25 H new ATOM 0 HE1 HIS B 93 8.087 -2.740 10.280 1.00 1.14 H new ATOM 0 HE2 HIS B 93 9.223 -4.338 11.897 1.00 1.10 H new ATOM 2926 N ASP B 94 11.516 -7.144 5.194 1.00 0.58 N ATOM 2927 CA ASP B 94 12.135 -8.233 4.441 1.00 0.63 C ATOM 2928 C ASP B 94 11.667 -8.207 2.986 1.00 0.78 C ATOM 2929 O ASP B 94 11.244 -9.222 2.432 1.00 1.65 O ATOM 2930 CB ASP B 94 11.806 -9.582 5.089 1.00 0.67 C ATOM 2931 CG ASP B 94 12.750 -10.684 4.649 1.00 0.79 C ATOM 2932 OD1 ASP B 94 13.983 -10.465 4.667 1.00 0.92 O ATOM 2933 OD2 ASP B 94 12.265 -11.784 4.298 1.00 1.08 O ATOM 0 H ASP B 94 10.672 -6.762 4.767 1.00 0.58 H new ATOM 0 HA ASP B 94 13.216 -8.098 4.457 1.00 0.63 H new ATOM 0 HB2 ASP B 94 11.851 -9.481 6.173 1.00 0.67 H new ATOM 0 HB3 ASP B 94 10.783 -9.862 4.837 1.00 0.67 H new ATOM 2938 N GLY B 95 11.746 -7.037 2.367 1.00 0.57 N ATOM 2939 CA GLY B 95 11.324 -6.898 0.986 1.00 0.52 C ATOM 2940 C GLY B 95 9.892 -6.416 0.870 1.00 0.46 C ATOM 2941 O GLY B 95 8.954 -7.191 1.057 1.00 0.53 O ATOM 0 H GLY B 95 12.095 -6.180 2.796 1.00 0.57 H new ATOM 0 HA2 GLY B 95 11.984 -6.197 0.475 1.00 0.52 H new ATOM 0 HA3 GLY B 95 11.425 -7.858 0.479 1.00 0.52 H new ATOM 2945 N LEU B 96 9.726 -5.132 0.571 1.00 0.41 N ATOM 2946 CA LEU B 96 8.400 -4.533 0.440 1.00 0.40 C ATOM 2947 C LEU B 96 8.420 -3.413 -0.600 1.00 0.37 C ATOM 2948 O LEU B 96 9.461 -3.137 -1.204 1.00 0.41 O ATOM 2949 CB LEU B 96 7.922 -3.979 1.787 1.00 0.44 C ATOM 2950 CG LEU B 96 7.534 -5.033 2.827 1.00 0.53 C ATOM 2951 CD1 LEU B 96 7.592 -4.453 4.229 1.00 0.58 C ATOM 2952 CD2 LEU B 96 6.146 -5.583 2.538 1.00 0.70 C ATOM 0 H LEU B 96 10.496 -4.482 0.414 1.00 0.41 H new ATOM 0 HA LEU B 96 7.709 -5.310 0.113 1.00 0.40 H new ATOM 0 HB2 LEU B 96 8.711 -3.354 2.205 1.00 0.44 H new ATOM 0 HB3 LEU B 96 7.062 -3.332 1.611 1.00 0.44 H new ATOM 0 HG LEU B 96 8.251 -5.852 2.765 1.00 0.53 H new ATOM 0 HD11 LEU B 96 7.312 -5.220 4.952 1.00 0.58 H new ATOM 0 HD12 LEU B 96 8.605 -4.109 4.439 1.00 0.58 H new ATOM 0 HD13 LEU B 96 6.901 -3.614 4.304 1.00 0.58 H new ATOM 0 HD21 LEU B 96 5.888 -6.331 3.288 1.00 0.70 H new ATOM 0 HD22 LEU B 96 5.419 -4.771 2.570 1.00 0.70 H new ATOM 0 HD23 LEU B 96 6.135 -6.042 1.549 1.00 0.70 H new ATOM 2964 N THR B 97 7.273 -2.772 -0.799 1.00 0.39 N ATOM 2965 CA THR B 97 7.153 -1.689 -1.762 1.00 0.39 C ATOM 2966 C THR B 97 6.912 -0.358 -1.059 1.00 0.37 C ATOM 2967 O THR B 97 6.135 -0.283 -0.104 1.00 0.46 O ATOM 2968 CB THR B 97 5.997 -1.957 -2.744 1.00 0.46 C ATOM 2969 OG1 THR B 97 5.332 -3.179 -2.389 1.00 0.83 O ATOM 2970 CG2 THR B 97 6.503 -2.050 -4.172 1.00 0.78 C ATOM 0 H THR B 97 6.409 -2.988 -0.301 1.00 0.39 H new ATOM 0 HA THR B 97 8.091 -1.637 -2.314 1.00 0.39 H new ATOM 0 HB THR B 97 5.297 -1.124 -2.681 1.00 0.46 H new ATOM 0 HG1 THR B 97 4.777 -3.031 -1.595 1.00 0.83 H new ATOM 0 HG21 THR B 97 5.665 -2.240 -4.843 1.00 0.78 H new ATOM 0 HG22 THR B 97 6.985 -1.112 -4.449 1.00 0.78 H new ATOM 0 HG23 THR B 97 7.223 -2.865 -4.251 1.00 0.78 H new ATOM 2978 N VAL B 98 7.589 0.682 -1.526 1.00 0.33 N ATOM 2979 CA VAL B 98 7.449 2.016 -0.962 1.00 0.31 C ATOM 2980 C VAL B 98 7.144 3.020 -2.069 1.00 0.30 C ATOM 2981 O VAL B 98 7.381 2.740 -3.242 1.00 0.36 O ATOM 2982 CB VAL B 98 8.719 2.461 -0.208 1.00 0.31 C ATOM 2983 CG1 VAL B 98 8.870 1.687 1.095 1.00 0.37 C ATOM 2984 CG2 VAL B 98 9.952 2.294 -1.084 1.00 0.34 C ATOM 0 H VAL B 98 8.248 0.625 -2.303 1.00 0.33 H new ATOM 0 HA VAL B 98 6.626 1.982 -0.248 1.00 0.31 H new ATOM 0 HB VAL B 98 8.619 3.519 0.036 1.00 0.31 H new ATOM 0 HG11 VAL B 98 9.772 2.016 1.611 1.00 0.37 H new ATOM 0 HG12 VAL B 98 8.002 1.869 1.729 1.00 0.37 H new ATOM 0 HG13 VAL B 98 8.944 0.621 0.879 1.00 0.37 H new ATOM 0 HG21 VAL B 98 10.836 2.614 -0.533 1.00 0.34 H new ATOM 0 HG22 VAL B 98 10.059 1.246 -1.366 1.00 0.34 H new ATOM 0 HG23 VAL B 98 9.845 2.902 -1.982 1.00 0.34 H new ATOM 2994 N HIS B 99 6.620 4.181 -1.704 1.00 0.29 N ATOM 2995 CA HIS B 99 6.290 5.211 -2.687 1.00 0.31 C ATOM 2996 C HIS B 99 7.262 6.378 -2.588 1.00 0.30 C ATOM 2997 O HIS B 99 7.976 6.507 -1.600 1.00 0.47 O ATOM 2998 CB HIS B 99 4.860 5.717 -2.478 1.00 0.38 C ATOM 2999 CG HIS B 99 4.114 5.952 -3.753 1.00 0.47 C ATOM 3000 ND1 HIS B 99 3.331 4.990 -4.343 1.00 0.68 N ATOM 3001 CD2 HIS B 99 4.036 7.043 -4.558 1.00 0.71 C ATOM 3002 CE1 HIS B 99 2.803 5.472 -5.450 1.00 0.81 C ATOM 3003 NE2 HIS B 99 3.212 6.712 -5.603 1.00 0.81 N ATOM 0 H HIS B 99 6.413 4.436 -0.738 1.00 0.29 H new ATOM 0 HA HIS B 99 6.369 4.766 -3.679 1.00 0.31 H new ATOM 0 HB2 HIS B 99 4.312 4.993 -1.875 1.00 0.38 H new ATOM 0 HB3 HIS B 99 4.892 6.646 -1.909 1.00 0.38 H new ATOM 0 HD1 HIS B 99 3.181 4.048 -3.980 1.00 0.68 H new ATOM 0 HD2 HIS B 99 4.529 7.991 -4.404 1.00 0.71 H new ATOM 0 HE1 HIS B 99 2.145 4.938 -6.119 1.00 0.81 H new ATOM 3012 N LEU B 100 7.299 7.213 -3.618 1.00 0.31 N ATOM 3013 CA LEU B 100 8.174 8.377 -3.624 1.00 0.32 C ATOM 3014 C LEU B 100 7.371 9.645 -3.894 1.00 0.32 C ATOM 3015 O LEU B 100 6.674 9.743 -4.906 1.00 0.40 O ATOM 3016 CB LEU B 100 9.266 8.223 -4.685 1.00 0.37 C ATOM 3017 CG LEU B 100 10.280 9.365 -4.725 1.00 0.50 C ATOM 3018 CD1 LEU B 100 11.206 9.297 -3.524 1.00 0.85 C ATOM 3019 CD2 LEU B 100 11.083 9.326 -6.017 1.00 0.91 C ATOM 0 H LEU B 100 6.733 7.106 -4.460 1.00 0.31 H new ATOM 0 HA LEU B 100 8.643 8.455 -2.643 1.00 0.32 H new ATOM 0 HB2 LEU B 100 9.798 7.288 -4.507 1.00 0.37 H new ATOM 0 HB3 LEU B 100 8.794 8.139 -5.664 1.00 0.37 H new ATOM 0 HG LEU B 100 9.734 10.308 -4.688 1.00 0.50 H new ATOM 0 HD11 LEU B 100 11.921 10.118 -3.569 1.00 0.85 H new ATOM 0 HD12 LEU B 100 10.620 9.376 -2.608 1.00 0.85 H new ATOM 0 HD13 LEU B 100 11.742 8.348 -3.531 1.00 0.85 H new ATOM 0 HD21 LEU B 100 11.799 10.148 -6.025 1.00 0.91 H new ATOM 0 HD22 LEU B 100 11.617 8.378 -6.085 1.00 0.91 H new ATOM 0 HD23 LEU B 100 10.409 9.424 -6.868 1.00 0.91 H new ATOM 3031 N VAL B 101 7.457 10.600 -2.979 1.00 0.30 N ATOM 3032 CA VAL B 101 6.754 11.870 -3.119 1.00 0.32 C ATOM 3033 C VAL B 101 7.711 13.028 -2.861 1.00 0.33 C ATOM 3034 O VAL B 101 8.869 12.807 -2.501 1.00 0.38 O ATOM 3035 CB VAL B 101 5.539 11.981 -2.164 1.00 0.39 C ATOM 3036 CG1 VAL B 101 4.493 10.921 -2.483 1.00 0.50 C ATOM 3037 CG2 VAL B 101 5.981 11.889 -0.711 1.00 0.52 C ATOM 0 H VAL B 101 8.010 10.519 -2.126 1.00 0.30 H new ATOM 0 HA VAL B 101 6.377 11.916 -4.141 1.00 0.32 H new ATOM 0 HB VAL B 101 5.081 12.958 -2.316 1.00 0.39 H new ATOM 0 HG11 VAL B 101 3.652 11.022 -1.798 1.00 0.50 H new ATOM 0 HG12 VAL B 101 4.144 11.051 -3.507 1.00 0.50 H new ATOM 0 HG13 VAL B 101 4.934 9.930 -2.373 1.00 0.50 H new ATOM 0 HG21 VAL B 101 5.110 11.970 -0.060 1.00 0.52 H new ATOM 0 HG22 VAL B 101 6.474 10.932 -0.541 1.00 0.52 H new ATOM 0 HG23 VAL B 101 6.675 12.700 -0.490 1.00 0.52 H new ATOM 3047 N ILE B 102 7.235 14.255 -3.031 1.00 0.36 N ATOM 3048 CA ILE B 102 8.073 15.427 -2.823 1.00 0.41 C ATOM 3049 C ILE B 102 7.362 16.459 -1.954 1.00 0.51 C ATOM 3050 O ILE B 102 7.118 17.594 -2.374 1.00 0.79 O ATOM 3051 CB ILE B 102 8.495 16.067 -4.165 1.00 0.52 C ATOM 3052 CG1 ILE B 102 7.308 16.141 -5.133 1.00 0.71 C ATOM 3053 CG2 ILE B 102 9.642 15.277 -4.782 1.00 0.76 C ATOM 3054 CD1 ILE B 102 7.668 16.701 -6.493 1.00 1.32 C ATOM 0 H ILE B 102 6.277 14.463 -3.311 1.00 0.36 H new ATOM 0 HA ILE B 102 8.973 15.093 -2.306 1.00 0.41 H new ATOM 0 HB ILE B 102 8.834 17.085 -3.972 1.00 0.52 H new ATOM 0 HG12 ILE B 102 6.891 15.142 -5.260 1.00 0.71 H new ATOM 0 HG13 ILE B 102 6.527 16.759 -4.690 1.00 0.71 H new ATOM 0 HG21 ILE B 102 9.932 15.735 -5.727 1.00 0.76 H new ATOM 0 HG22 ILE B 102 10.493 15.279 -4.101 1.00 0.76 H new ATOM 0 HG23 ILE B 102 9.322 14.250 -4.960 1.00 0.76 H new ATOM 0 HD11 ILE B 102 6.780 16.723 -7.124 1.00 1.32 H new ATOM 0 HD12 ILE B 102 8.057 17.713 -6.378 1.00 1.32 H new ATOM 0 HD13 ILE B 102 8.427 16.071 -6.957 1.00 1.32 H new ATOM 3066 N LYS B 103 7.036 16.056 -0.739 1.00 0.59 N ATOM 3067 CA LYS B 103 6.350 16.929 0.197 1.00 0.76 C ATOM 3068 C LYS B 103 7.319 17.426 1.264 1.00 0.91 C ATOM 3069 O LYS B 103 7.680 16.636 2.162 1.00 1.07 O ATOM 3070 CB LYS B 103 5.172 16.191 0.840 1.00 0.86 C ATOM 3071 CG LYS B 103 4.193 15.604 -0.168 1.00 1.00 C ATOM 3072 CD LYS B 103 3.165 16.631 -0.621 1.00 1.15 C ATOM 3073 CE LYS B 103 2.244 16.055 -1.689 1.00 1.32 C ATOM 3074 NZ LYS B 103 1.133 16.983 -2.040 1.00 1.74 N ATOM 3075 OXT LYS B 103 7.722 18.608 1.196 1.00 1.20 O ATOM 0 H LYS B 103 7.237 15.124 -0.376 1.00 0.59 H new ATOM 0 HA LYS B 103 5.964 17.792 -0.345 1.00 0.76 H new ATOM 0 HB2 LYS B 103 5.557 15.388 1.469 1.00 0.86 H new ATOM 0 HB3 LYS B 103 4.637 16.879 1.494 1.00 0.86 H new ATOM 0 HG2 LYS B 103 4.741 15.232 -1.034 1.00 1.00 H new ATOM 0 HG3 LYS B 103 3.682 14.750 0.276 1.00 1.00 H new ATOM 0 HD2 LYS B 103 2.574 16.959 0.234 1.00 1.15 H new ATOM 0 HD3 LYS B 103 3.675 17.511 -1.013 1.00 1.15 H new ATOM 0 HE2 LYS B 103 2.825 15.832 -2.584 1.00 1.32 H new ATOM 0 HE3 LYS B 103 1.828 15.111 -1.336 1.00 1.32 H new ATOM 0 HZ1 LYS B 103 0.679 16.664 -2.920 1.00 1.74 H new ATOM 0 HZ2 LYS B 103 0.432 16.991 -1.272 1.00 1.74 H new ATOM 0 HZ3 LYS B 103 1.511 17.942 -2.174 1.00 1.74 H new TER 3089 LYS B 103