USER MOD reduce.3.24.130724 H: found=0, std=0, add=1060, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 1060 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: A 108 LYS NZ :NH3+ 138:sc= -0.341 (180deg=-0.476) USER MOD Set 1.2: A 112 ASN : amide:sc= -0.0703 K(o=-0.41,f=-1.4!) USER MOD Set 2.1: A 94 ASN : amide:sc= -2.36! C(o=-8.1!,f=-7!) USER MOD Set 2.2: A 102 CYS SG : rot 43:sc= -5.74! USER MOD Set 3.1: A 99 THR OG1 : rot 124:sc= 0.536 USER MOD Set 3.2: A 101 THR OG1 : rot 180:sc= 0.474 USER MOD Set 4.1: A 86 CYS SG : rot 180:sc= -0.947! USER MOD Set 4.2: A 87 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 57 SER OG : rot -150:sc= 0 USER MOD Set 5.2: A 60 LYS NZ :NH3+ -157:sc= -0.337 (180deg=-1.13) USER MOD Set 6.1: A 53 LYS NZ :NH3+ -157:sc= 0.576 (180deg=-0.32) USER MOD Set 6.2: A 107 GLN : amide:sc= -5.86! C(o=-5.3!,f=-12!) USER MOD Set 7.1: A 48 SER OG : rot -60:sc= 1.2 USER MOD Set 7.2: A 49 CYS SG : rot 87:sc= -3.26! USER MOD Set 8.1: A 42 ASN : amide:sc= -1.8! K(o=-4.9!,f=-3.2) USER MOD Set 8.2: A 82 ASN : amide:sc= -3.09! C(o=-4.9!,f=-8.2!) USER MOD Single : A 6 SER OG : rot 180:sc= -0.0309 USER MOD Single : A 7 GLN : amide:sc= -5.55! C(o=-5.5!,f=-15!) USER MOD Single : A 11 LYS NZ :NH3+ -113:sc= -2.24 (180deg=-5.05!) USER MOD Single : A 12 LYS NZ :NH3+ -160:sc= -0.0675 (180deg=-0.498) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -1.81! K(o=-1.8!,f=-0.01) USER MOD Single : A 22 ASN : amide:sc= -4.84! C(o=-4.8!,f=-3.1!) USER MOD Single : A 23 HIS : no HD1:sc= -6.07! C(o=-6.1!,f=-20!) USER MOD Single : A 25 CYS SG : rot 117:sc= -2.5 USER MOD Single : A 31 LYS NZ :NH3+ -151:sc= -1.39 (180deg=-3.22!) USER MOD Single : A 35 LYS NZ :NH3+ 133:sc= -0.0699 (180deg=-0.556) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot -161:sc= -0.0616 USER MOD Single : A 54 LYS NZ :NH3+ 146:sc= -2.29 (180deg=-4.08!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= -1.18 USER MOD Single : A 64 LYS NZ :NH3+ 144:sc= -3.15 (180deg=-5.06!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 157:sc= -0.176 (180deg=-0.857) USER MOD Single : A 69 TYR OH : rot 150:sc= -0.0405 USER MOD Single : A 70 ASN : amide:sc= -0.525 K(o=-0.53,f=-2.3!) USER MOD Single : A 74 SER OG : rot 153:sc= 0.0382 USER MOD Single : A 76 GLN : amide:sc= -1.41! K(o=-1.4!,f=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 160:sc= -4.34! (180deg=-6.61!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 71:sc= 1.24 USER MOD Single : A 92 SER OG : rot -41:sc= 0.738 USER MOD Single : A 95 MET CE :methyl -139:sc= -4.33! (180deg=-6.15!) USER MOD Single : A 109 LYS NZ :NH3+ -173:sc= -0.455 (180deg=-0.633!) USER MOD Single : A 114 MET CE :methyl 138:sc= -1.06 (180deg=-7.26!) USER MOD Single : A 116 LYS NZ :NH3+ -161:sc= -0.184 (180deg=-0.776) USER MOD Single : A 118 SER OG : rot -44:sc= -0.765 USER MOD Single : A 119 TYR OH : rot -156:sc= -2.96! USER MOD Single : A 124 LYS NZ :NH3+ -160:sc= -0.299 (180deg=-0.969) USER MOD Single : A 125 SER OG : rot -64:sc= 0.138 USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 THR OG1 : rot -97:sc= -0.0544 USER MOD Single : A 133 ASN : amide:sc= -4.21! K(o=-4.2!,f=-0.79) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 5 -9.288 3.352 -14.417 1.00 17.32 N ATOM 2 CA VAL A 5 -9.619 2.552 -13.194 1.00 16.53 C ATOM 3 C VAL A 5 -11.111 2.689 -12.897 1.00 15.62 C ATOM 4 O VAL A 5 -11.652 3.777 -12.877 1.00 15.21 O ATOM 5 CB VAL A 5 -8.822 3.088 -12.006 1.00 17.91 C ATOM 6 CG1 VAL A 5 -9.072 2.210 -10.779 1.00 18.70 C ATOM 7 CG2 VAL A 5 -7.332 3.078 -12.345 1.00 17.86 C ATOM 0 HA VAL A 5 -9.367 1.505 -13.362 1.00 16.53 H new ATOM 0 HB VAL A 5 -9.139 4.108 -11.790 1.00 17.91 H new ATOM 0 HG11 VAL A 5 -8.502 2.595 -9.934 1.00 18.70 H new ATOM 0 HG12 VAL A 5 -10.134 2.220 -10.535 1.00 18.70 H new ATOM 0 HG13 VAL A 5 -8.758 1.188 -10.993 1.00 18.70 H new ATOM 0 HG21 VAL A 5 -6.763 3.460 -11.497 1.00 17.86 H new ATOM 0 HG22 VAL A 5 -7.015 2.058 -12.564 1.00 17.86 H new ATOM 0 HG23 VAL A 5 -7.153 3.708 -13.216 1.00 17.86 H new ATOM 17 N SER A 6 -11.783 1.596 -12.674 1.00 15.43 N ATOM 18 CA SER A 6 -13.239 1.672 -12.388 1.00 14.66 C ATOM 19 C SER A 6 -13.457 2.248 -10.991 1.00 13.40 C ATOM 20 O SER A 6 -12.591 2.190 -10.141 1.00 12.58 O ATOM 21 CB SER A 6 -13.840 0.268 -12.454 1.00 15.49 C ATOM 22 OG SER A 6 -13.218 -0.553 -11.473 1.00 15.97 O ATOM 0 H SER A 6 -11.387 0.656 -12.678 1.00 15.43 H new ATOM 0 HA SER A 6 -13.721 2.315 -13.125 1.00 14.66 H new ATOM 0 HB2 SER A 6 -14.915 0.311 -12.281 1.00 15.49 H new ATOM 0 HB3 SER A 6 -13.694 -0.157 -13.447 1.00 15.49 H new ATOM 0 HG SER A 6 -13.601 -1.454 -11.510 1.00 15.97 H new ATOM 28 N GLN A 7 -14.613 2.798 -10.748 1.00 13.37 N ATOM 29 CA GLN A 7 -14.900 3.374 -9.408 1.00 12.23 C ATOM 30 C GLN A 7 -15.024 2.239 -8.396 1.00 11.36 C ATOM 31 O GLN A 7 -14.781 2.402 -7.221 1.00 10.97 O ATOM 32 CB GLN A 7 -16.209 4.164 -9.463 1.00 13.19 C ATOM 33 CG GLN A 7 -16.000 5.432 -10.293 1.00 13.36 C ATOM 34 CD GLN A 7 -15.169 6.444 -9.498 1.00 13.61 C ATOM 35 OE1 GLN A 7 -14.383 7.175 -10.067 1.00 13.82 O ATOM 36 NE2 GLN A 7 -15.316 6.528 -8.201 1.00 13.77 N ATOM 0 H GLN A 7 -15.374 2.873 -11.423 1.00 13.37 H new ATOM 0 HA GLN A 7 -14.092 4.042 -9.110 1.00 12.23 H new ATOM 0 HB2 GLN A 7 -16.997 3.553 -9.903 1.00 13.19 H new ATOM 0 HB3 GLN A 7 -16.533 4.424 -8.455 1.00 13.19 H new ATOM 0 HG2 GLN A 7 -15.494 5.187 -11.227 1.00 13.36 H new ATOM 0 HG3 GLN A 7 -16.964 5.867 -10.557 1.00 13.36 H new ATOM 0 HE21 GLN A 7 -15.976 5.915 -7.722 1.00 13.77 H new ATOM 0 HE22 GLN A 7 -14.771 7.207 -7.669 1.00 13.77 H new ATOM 45 N GLU A 8 -15.403 1.083 -8.847 1.00 13.01 N ATOM 46 CA GLU A 8 -15.544 -0.065 -7.918 1.00 12.24 C ATOM 47 C GLU A 8 -14.197 -0.358 -7.252 1.00 11.73 C ATOM 48 O GLU A 8 -14.134 -0.696 -6.094 1.00 11.71 O ATOM 49 CB GLU A 8 -15.996 -1.295 -8.707 1.00 13.27 C ATOM 50 CG GLU A 8 -17.441 -1.100 -9.167 1.00 13.55 C ATOM 51 CD GLU A 8 -17.885 -2.318 -9.979 1.00 14.55 C ATOM 52 OE1 GLU A 8 -17.050 -3.168 -10.240 1.00 15.06 O ATOM 53 OE2 GLU A 8 -19.051 -2.378 -10.330 1.00 14.92 O ATOM 0 H GLU A 8 -15.622 0.882 -9.823 1.00 13.01 H new ATOM 0 HA GLU A 8 -16.281 0.175 -7.151 1.00 12.24 H new ATOM 0 HB2 GLU A 8 -15.346 -1.447 -9.569 1.00 13.27 H new ATOM 0 HB3 GLU A 8 -15.917 -2.188 -8.087 1.00 13.27 H new ATOM 0 HG2 GLU A 8 -18.094 -0.967 -8.304 1.00 13.55 H new ATOM 0 HG3 GLU A 8 -17.523 -0.197 -9.771 1.00 13.55 H new ATOM 60 N GLU A 9 -13.125 -0.264 -7.989 1.00 11.46 N ATOM 61 CA GLU A 9 -11.780 -0.577 -7.415 1.00 11.12 C ATOM 62 C GLU A 9 -11.279 0.520 -6.457 1.00 10.28 C ATOM 63 O GLU A 9 -10.828 0.230 -5.370 1.00 10.32 O ATOM 64 CB GLU A 9 -10.789 -0.728 -8.567 1.00 12.40 C ATOM 65 CG GLU A 9 -11.100 -2.011 -9.338 1.00 13.24 C ATOM 66 CD GLU A 9 -10.112 -2.169 -10.494 1.00 14.08 C ATOM 67 OE1 GLU A 9 -9.382 -1.229 -10.757 1.00 14.68 O ATOM 68 OE2 GLU A 9 -10.104 -3.230 -11.097 1.00 14.26 O ATOM 0 H GLU A 9 -13.120 0.017 -8.969 1.00 11.46 H new ATOM 0 HA GLU A 9 -11.864 -1.498 -6.837 1.00 11.12 H new ATOM 0 HB2 GLU A 9 -10.853 0.134 -9.232 1.00 12.40 H new ATOM 0 HB3 GLU A 9 -9.769 -0.759 -8.183 1.00 12.40 H new ATOM 0 HG2 GLU A 9 -11.036 -2.872 -8.672 1.00 13.24 H new ATOM 0 HG3 GLU A 9 -12.120 -1.979 -9.720 1.00 13.24 H new ATOM 75 N VAL A 10 -11.324 1.765 -6.837 1.00 9.75 N ATOM 76 CA VAL A 10 -10.811 2.823 -5.914 1.00 9.10 C ATOM 77 C VAL A 10 -11.608 2.826 -4.605 1.00 7.91 C ATOM 78 O VAL A 10 -11.060 3.024 -3.542 1.00 7.70 O ATOM 79 CB VAL A 10 -10.907 4.194 -6.579 1.00 10.81 C ATOM 80 CG1 VAL A 10 -10.267 4.131 -7.965 1.00 11.69 C ATOM 81 CG2 VAL A 10 -12.373 4.594 -6.715 1.00 11.17 C ATOM 0 H VAL A 10 -11.687 2.096 -7.731 1.00 9.75 H new ATOM 0 HA VAL A 10 -9.767 2.606 -5.690 1.00 9.10 H new ATOM 0 HB VAL A 10 -10.385 4.931 -5.969 1.00 10.81 H new ATOM 0 HG11 VAL A 10 -10.334 5.109 -8.442 1.00 11.69 H new ATOM 0 HG12 VAL A 10 -9.219 3.845 -7.869 1.00 11.69 H new ATOM 0 HG13 VAL A 10 -10.790 3.394 -8.574 1.00 11.69 H new ATOM 0 HG21 VAL A 10 -12.441 5.573 -7.190 1.00 11.17 H new ATOM 0 HG22 VAL A 10 -12.896 3.858 -7.325 1.00 11.17 H new ATOM 0 HG23 VAL A 10 -12.831 4.638 -5.727 1.00 11.17 H new ATOM 91 N LYS A 11 -12.893 2.618 -4.664 1.00 7.38 N ATOM 92 CA LYS A 11 -13.689 2.622 -3.407 1.00 6.32 C ATOM 93 C LYS A 11 -13.157 1.550 -2.463 1.00 5.68 C ATOM 94 O LYS A 11 -13.154 1.719 -1.261 1.00 5.93 O ATOM 95 CB LYS A 11 -15.163 2.354 -3.709 1.00 8.26 C ATOM 96 CG LYS A 11 -15.778 3.576 -4.401 1.00 8.64 C ATOM 97 CD LYS A 11 -17.301 3.414 -4.481 1.00 9.23 C ATOM 98 CE LYS A 11 -17.669 2.220 -5.368 1.00 9.91 C ATOM 99 NZ LYS A 11 -17.529 0.956 -4.588 1.00 10.51 N ATOM 0 H LYS A 11 -13.422 2.447 -5.519 1.00 7.38 H new ATOM 0 HA LYS A 11 -13.600 3.601 -2.937 1.00 6.32 H new ATOM 0 HB2 LYS A 11 -15.260 1.476 -4.347 1.00 8.26 H new ATOM 0 HB3 LYS A 11 -15.700 2.138 -2.785 1.00 8.26 H new ATOM 0 HG2 LYS A 11 -15.528 4.482 -3.850 1.00 8.64 H new ATOM 0 HG3 LYS A 11 -15.361 3.687 -5.402 1.00 8.64 H new ATOM 0 HD2 LYS A 11 -17.710 3.271 -3.481 1.00 9.23 H new ATOM 0 HD3 LYS A 11 -17.749 4.324 -4.882 1.00 9.23 H new ATOM 0 HE2 LYS A 11 -18.692 2.324 -5.730 1.00 9.91 H new ATOM 0 HE3 LYS A 11 -17.022 2.192 -6.245 1.00 9.91 H new ATOM 0 HZ1 LYS A 11 -16.747 0.392 -4.978 1.00 10.51 H new ATOM 0 HZ2 LYS A 11 -17.330 1.183 -3.593 1.00 10.51 H new ATOM 0 HZ3 LYS A 11 -18.413 0.411 -4.649 1.00 10.51 H new ATOM 113 N LYS A 12 -12.689 0.456 -2.991 1.00 5.08 N ATOM 114 CA LYS A 12 -12.147 -0.610 -2.108 1.00 4.72 C ATOM 115 C LYS A 12 -10.984 -0.010 -1.321 1.00 4.34 C ATOM 116 O LYS A 12 -10.787 -0.305 -0.159 1.00 4.65 O ATOM 117 CB LYS A 12 -11.645 -1.778 -2.958 1.00 6.91 C ATOM 118 CG LYS A 12 -12.828 -2.485 -3.613 1.00 7.86 C ATOM 119 CD LYS A 12 -12.317 -3.650 -4.461 1.00 8.86 C ATOM 120 CE LYS A 12 -13.496 -4.362 -5.125 1.00 9.89 C ATOM 121 NZ LYS A 12 -14.375 -4.953 -4.081 1.00 10.82 N ATOM 0 H LYS A 12 -12.658 0.254 -3.990 1.00 5.08 H new ATOM 0 HA LYS A 12 -12.919 -0.979 -1.433 1.00 4.72 H new ATOM 0 HB2 LYS A 12 -10.958 -1.415 -3.722 1.00 6.91 H new ATOM 0 HB3 LYS A 12 -11.089 -2.480 -2.336 1.00 6.91 H new ATOM 0 HG2 LYS A 12 -13.515 -2.850 -2.850 1.00 7.86 H new ATOM 0 HG3 LYS A 12 -13.385 -1.785 -4.235 1.00 7.86 H new ATOM 0 HD2 LYS A 12 -11.627 -3.284 -5.221 1.00 8.86 H new ATOM 0 HD3 LYS A 12 -11.762 -4.350 -3.837 1.00 8.86 H new ATOM 0 HE2 LYS A 12 -14.062 -3.658 -5.735 1.00 9.89 H new ATOM 0 HE3 LYS A 12 -13.133 -5.143 -5.793 1.00 9.89 H new ATOM 0 HZ1 LYS A 12 -14.962 -5.700 -4.504 1.00 10.82 H new ATOM 0 HZ2 LYS A 12 -13.790 -5.360 -3.324 1.00 10.82 H new ATOM 0 HZ3 LYS A 12 -14.989 -4.213 -3.684 1.00 10.82 H new ATOM 135 N TRP A 13 -10.221 0.844 -1.947 1.00 4.15 N ATOM 136 CA TRP A 13 -9.081 1.480 -1.235 1.00 3.58 C ATOM 137 C TRP A 13 -9.621 2.237 -0.019 1.00 2.38 C ATOM 138 O TRP A 13 -8.928 2.443 0.945 1.00 2.83 O ATOM 139 CB TRP A 13 -8.370 2.474 -2.156 1.00 4.70 C ATOM 140 CG TRP A 13 -7.905 1.803 -3.415 1.00 4.98 C ATOM 141 CD1 TRP A 13 -7.887 0.468 -3.649 1.00 5.43 C ATOM 142 CD2 TRP A 13 -7.383 2.435 -4.618 1.00 5.21 C ATOM 143 NE1 TRP A 13 -7.379 0.246 -4.919 1.00 5.86 N ATOM 144 CE2 TRP A 13 -7.056 1.430 -5.555 1.00 5.70 C ATOM 145 CE3 TRP A 13 -7.165 3.776 -4.981 1.00 5.35 C ATOM 146 CZ2 TRP A 13 -6.526 1.745 -6.810 1.00 6.20 C ATOM 147 CZ3 TRP A 13 -6.634 4.096 -6.240 1.00 5.91 C ATOM 148 CH2 TRP A 13 -6.315 3.082 -7.151 1.00 6.26 C ATOM 0 H TRP A 13 -10.339 1.127 -2.920 1.00 4.15 H new ATOM 0 HA TRP A 13 -8.376 0.708 -0.927 1.00 3.58 H new ATOM 0 HB2 TRP A 13 -9.046 3.293 -2.404 1.00 4.70 H new ATOM 0 HB3 TRP A 13 -7.517 2.911 -1.636 1.00 4.70 H new ATOM 0 HD1 TRP A 13 -8.214 -0.296 -2.960 1.00 5.43 H new ATOM 0 HE1 TRP A 13 -7.258 -0.678 -5.334 1.00 5.86 H new ATOM 0 HE3 TRP A 13 -7.408 4.566 -4.286 1.00 5.35 H new ATOM 0 HZ2 TRP A 13 -6.282 0.960 -7.510 1.00 6.20 H new ATOM 0 HZ3 TRP A 13 -6.471 5.130 -6.507 1.00 5.91 H new ATOM 0 HH2 TRP A 13 -5.906 3.334 -8.118 1.00 6.26 H new ATOM 159 N ALA A 14 -10.854 2.659 -0.051 1.00 0.01 N ATOM 160 CA ALA A 14 -11.409 3.396 1.122 1.00 0.01 C ATOM 161 C ALA A 14 -11.937 2.389 2.148 1.00 0.01 C ATOM 162 O ALA A 14 -12.240 2.734 3.272 1.00 0.01 O ATOM 163 CB ALA A 14 -12.552 4.302 0.661 1.00 0.00 C ATOM 0 H ALA A 14 -11.498 2.528 -0.831 1.00 0.01 H new ATOM 0 HA ALA A 14 -10.626 4.004 1.576 1.00 0.01 H new ATOM 0 HB1 ALA A 14 -12.958 4.840 1.518 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -12.177 5.016 -0.072 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.337 3.696 0.209 1.00 0.00 H new ATOM 169 N GLU A 15 -12.051 1.140 1.769 1.00 0.01 N ATOM 170 CA GLU A 15 -12.564 0.106 2.719 1.00 0.01 C ATOM 171 C GLU A 15 -11.422 -0.450 3.582 1.00 0.01 C ATOM 172 O GLU A 15 -11.626 -0.793 4.729 1.00 0.01 O ATOM 173 CB GLU A 15 -13.220 -1.043 1.929 1.00 0.01 C ATOM 174 CG GLU A 15 -14.649 -0.662 1.515 1.00 0.01 C ATOM 175 CD GLU A 15 -14.612 0.469 0.490 1.00 0.01 C ATOM 176 OE1 GLU A 15 -14.267 1.574 0.870 1.00 0.01 O ATOM 177 OE2 GLU A 15 -14.927 0.209 -0.660 1.00 0.01 O ATOM 0 H GLU A 15 -11.810 0.792 0.841 1.00 0.01 H new ATOM 0 HA GLU A 15 -13.302 0.570 3.373 1.00 0.01 H new ATOM 0 HB2 GLU A 15 -12.626 -1.269 1.043 1.00 0.01 H new ATOM 0 HB3 GLU A 15 -13.240 -1.947 2.538 1.00 0.01 H new ATOM 0 HG2 GLU A 15 -15.158 -1.529 1.094 1.00 0.01 H new ATOM 0 HG3 GLU A 15 -15.220 -0.352 2.390 1.00 0.01 H new ATOM 184 N SER A 16 -10.228 -0.555 3.056 1.00 0.01 N ATOM 185 CA SER A 16 -9.118 -1.108 3.889 1.00 0.01 C ATOM 186 C SER A 16 -7.769 -0.966 3.173 1.00 0.00 C ATOM 187 O SER A 16 -7.679 -1.021 1.963 1.00 0.00 O ATOM 188 CB SER A 16 -9.393 -2.586 4.167 1.00 0.01 C ATOM 189 OG SER A 16 -9.711 -3.245 2.945 1.00 0.01 O ATOM 0 H SER A 16 -9.976 -0.288 2.104 1.00 0.01 H new ATOM 0 HA SER A 16 -9.070 -0.549 4.824 1.00 0.01 H new ATOM 0 HB2 SER A 16 -8.520 -3.050 4.627 1.00 0.01 H new ATOM 0 HB3 SER A 16 -10.217 -2.688 4.873 1.00 0.01 H new ATOM 0 HG SER A 16 -9.886 -4.193 3.121 1.00 0.01 H new ATOM 195 N LEU A 17 -6.720 -0.793 3.938 1.00 0.00 N ATOM 196 CA LEU A 17 -5.349 -0.640 3.361 1.00 0.00 C ATOM 197 C LEU A 17 -4.977 -1.883 2.554 1.00 0.01 C ATOM 198 O LEU A 17 -4.378 -1.789 1.502 1.00 0.00 O ATOM 199 CB LEU A 17 -4.360 -0.452 4.518 1.00 0.01 C ATOM 200 CG LEU A 17 -2.925 -0.289 3.992 1.00 0.00 C ATOM 201 CD1 LEU A 17 -2.830 0.939 3.072 1.00 0.01 C ATOM 202 CD2 LEU A 17 -1.974 -0.110 5.186 1.00 0.00 C ATOM 0 H LEU A 17 -6.757 -0.751 4.956 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.318 0.223 2.695 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.639 0.425 5.102 1.00 0.01 H new ATOM 0 HB3 LEU A 17 -4.411 -1.310 5.188 1.00 0.01 H new ATOM 0 HG LEU A 17 -2.648 -1.176 3.422 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.808 1.042 2.707 1.00 0.01 H new ATOM 0 HD12 LEU A 17 -3.506 0.813 2.227 1.00 0.01 H new ATOM 0 HD13 LEU A 17 -3.108 1.834 3.629 1.00 0.01 H new ATOM 0 HD21 LEU A 17 -0.953 0.007 4.823 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.262 0.777 5.751 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.032 -0.986 5.832 1.00 0.00 H new ATOM 214 N GLU A 18 -5.320 -3.039 3.033 1.00 0.01 N ATOM 215 CA GLU A 18 -4.977 -4.281 2.291 1.00 0.00 C ATOM 216 C GLU A 18 -5.457 -4.159 0.839 1.00 0.00 C ATOM 217 O GLU A 18 -4.789 -4.581 -0.082 1.00 0.01 O ATOM 218 CB GLU A 18 -5.692 -5.461 2.945 1.00 0.01 C ATOM 219 CG GLU A 18 -5.115 -5.707 4.339 1.00 0.01 C ATOM 220 CD GLU A 18 -5.992 -6.718 5.079 1.00 0.00 C ATOM 221 OE1 GLU A 18 -6.956 -7.180 4.489 1.00 0.01 O ATOM 222 OE2 GLU A 18 -5.690 -7.011 6.224 1.00 0.01 O ATOM 0 H GLU A 18 -5.824 -3.181 3.908 1.00 0.01 H new ATOM 0 HA GLU A 18 -3.898 -4.432 2.311 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.761 -5.258 3.014 1.00 0.01 H new ATOM 0 HB3 GLU A 18 -5.577 -6.354 2.331 1.00 0.01 H new ATOM 0 HG2 GLU A 18 -4.094 -6.082 4.262 1.00 0.01 H new ATOM 0 HG3 GLU A 18 -5.069 -4.771 4.896 1.00 0.01 H new ATOM 229 N ASN A 19 -6.615 -3.598 0.632 1.00 0.01 N ATOM 230 CA ASN A 19 -7.145 -3.464 -0.757 1.00 0.00 C ATOM 231 C ASN A 19 -6.262 -2.528 -1.595 1.00 0.00 C ATOM 232 O ASN A 19 -5.990 -2.794 -2.752 1.00 0.01 O ATOM 233 CB ASN A 19 -8.565 -2.897 -0.695 1.00 0.01 C ATOM 234 CG ASN A 19 -9.515 -3.946 -0.112 1.00 0.01 C ATOM 235 OD1 ASN A 19 -10.674 -3.666 0.128 1.00 0.01 O ATOM 236 ND2 ASN A 19 -9.073 -5.147 0.134 1.00 0.01 N ATOM 0 H ASN A 19 -7.220 -3.225 1.364 1.00 0.01 H new ATOM 0 HA ASN A 19 -7.147 -4.448 -1.227 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.581 -1.997 -0.081 1.00 0.01 H new ATOM 0 HB3 ASN A 19 -8.895 -2.608 -1.693 1.00 0.01 H new ATOM 0 HD21 ASN A 19 -9.699 -5.850 0.527 1.00 0.01 H new ATOM 0 HD22 ASN A 19 -8.101 -5.384 -0.067 1.00 0.01 H new ATOM 243 N LEU A 20 -5.814 -1.438 -1.032 1.00 0.00 N ATOM 244 CA LEU A 20 -4.956 -0.495 -1.812 1.00 0.01 C ATOM 245 C LEU A 20 -3.689 -1.217 -2.274 1.00 0.01 C ATOM 246 O LEU A 20 -3.302 -1.144 -3.423 1.00 0.00 O ATOM 247 CB LEU A 20 -4.585 0.703 -0.927 1.00 0.00 C ATOM 248 CG LEU A 20 -3.697 1.699 -1.697 1.00 0.01 C ATOM 249 CD1 LEU A 20 -4.446 2.248 -2.920 1.00 0.01 C ATOM 250 CD2 LEU A 20 -3.329 2.860 -0.767 1.00 0.01 C ATOM 0 H LEU A 20 -6.003 -1.159 -0.069 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.501 -0.141 -2.687 1.00 0.01 H new ATOM 0 HB2 LEU A 20 -5.491 1.204 -0.588 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.061 0.355 -0.037 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.797 1.187 -2.036 1.00 0.01 H new ATOM 0 HD11 LEU A 20 -3.806 2.950 -3.454 1.00 0.01 H new ATOM 0 HD12 LEU A 20 -4.713 1.425 -3.583 1.00 0.01 H new ATOM 0 HD13 LEU A 20 -5.351 2.759 -2.593 1.00 0.01 H new ATOM 0 HD21 LEU A 20 -2.700 3.571 -1.303 1.00 0.01 H new ATOM 0 HD22 LEU A 20 -4.238 3.360 -0.432 1.00 0.01 H new ATOM 0 HD23 LEU A 20 -2.787 2.476 0.097 1.00 0.01 H new ATOM 262 N ILE A 21 -3.034 -1.901 -1.379 1.00 0.01 N ATOM 263 CA ILE A 21 -1.780 -2.616 -1.753 1.00 0.00 C ATOM 264 C ILE A 21 -2.097 -3.934 -2.474 1.00 0.00 C ATOM 265 O ILE A 21 -1.280 -4.461 -3.198 1.00 0.00 O ATOM 266 CB ILE A 21 -0.974 -2.911 -0.481 1.00 0.00 C ATOM 267 CG1 ILE A 21 -1.807 -3.781 0.467 1.00 0.00 C ATOM 268 CG2 ILE A 21 -0.627 -1.599 0.228 1.00 0.00 C ATOM 269 CD1 ILE A 21 -0.976 -4.183 1.688 1.00 0.01 C ATOM 0 H ILE A 21 -3.312 -1.997 -0.402 1.00 0.01 H new ATOM 0 HA ILE A 21 -1.202 -1.984 -2.428 1.00 0.00 H new ATOM 0 HB ILE A 21 -0.058 -3.435 -0.756 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -2.695 -3.235 0.787 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.152 -4.673 -0.056 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.055 -1.813 1.131 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.034 -0.972 -0.437 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.545 -1.076 0.496 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.581 -4.800 2.352 1.00 0.01 H new ATOM 0 HD12 ILE A 21 -0.102 -4.748 1.363 1.00 0.01 H new ATOM 0 HD13 ILE A 21 -0.653 -3.288 2.219 1.00 0.01 H new ATOM 281 N ASN A 22 -3.263 -4.492 -2.264 1.00 0.00 N ATOM 282 CA ASN A 22 -3.593 -5.798 -2.925 1.00 0.01 C ATOM 283 C ASN A 22 -4.181 -5.555 -4.314 1.00 0.01 C ATOM 284 O ASN A 22 -4.437 -6.483 -5.054 1.00 0.01 O ATOM 285 CB ASN A 22 -4.617 -6.559 -2.080 1.00 0.01 C ATOM 286 CG ASN A 22 -3.986 -6.973 -0.748 1.00 0.01 C ATOM 287 OD1 ASN A 22 -4.686 -7.319 0.183 1.00 0.01 O ATOM 288 ND2 ASN A 22 -2.690 -6.949 -0.614 1.00 0.01 N ATOM 0 H ASN A 22 -3.997 -4.106 -1.670 1.00 0.00 H new ATOM 0 HA ASN A 22 -2.677 -6.382 -3.017 1.00 0.01 H new ATOM 0 HB2 ASN A 22 -5.491 -5.933 -1.900 1.00 0.01 H new ATOM 0 HB3 ASN A 22 -4.963 -7.441 -2.619 1.00 0.01 H new ATOM 0 HD21 ASN A 22 -2.264 -7.221 0.272 1.00 0.01 H new ATOM 0 HD22 ASN A 22 -2.102 -6.659 -1.395 1.00 0.01 H new ATOM 295 N HIS A 23 -4.392 -4.322 -4.679 1.00 0.01 N ATOM 296 CA HIS A 23 -4.958 -4.028 -6.030 1.00 0.01 C ATOM 297 C HIS A 23 -3.801 -3.758 -6.996 1.00 0.01 C ATOM 298 O HIS A 23 -2.883 -3.025 -6.690 1.00 0.01 O ATOM 299 CB HIS A 23 -5.868 -2.800 -5.938 1.00 0.00 C ATOM 300 CG HIS A 23 -6.454 -2.491 -7.288 1.00 0.01 C ATOM 301 ND1 HIS A 23 -6.166 -3.246 -8.414 1.00 0.01 N ATOM 302 CD2 HIS A 23 -7.311 -1.507 -7.708 1.00 0.01 C ATOM 303 CE1 HIS A 23 -6.834 -2.706 -9.447 1.00 0.01 C ATOM 304 NE2 HIS A 23 -7.550 -1.643 -9.072 1.00 0.01 N ATOM 0 H HIS A 23 -4.198 -3.503 -4.102 1.00 0.01 H new ATOM 0 HA HIS A 23 -5.543 -4.874 -6.391 1.00 0.01 H new ATOM 0 HB2 HIS A 23 -6.667 -2.982 -5.219 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -5.301 -1.943 -5.574 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -7.736 -0.742 -7.076 1.00 0.01 H new ATOM 0 HE1 HIS A 23 -6.797 -3.085 -10.457 1.00 0.01 H new ATOM 0 HE2 HIS A 23 -8.144 -1.057 -9.659 1.00 0.01 H new ATOM 312 N GLU A 24 -3.828 -4.356 -8.157 1.00 0.01 N ATOM 313 CA GLU A 24 -2.720 -4.145 -9.129 1.00 0.01 C ATOM 314 C GLU A 24 -2.628 -2.662 -9.479 1.00 0.01 C ATOM 315 O GLU A 24 -1.550 -2.123 -9.641 1.00 0.01 O ATOM 316 CB GLU A 24 -2.976 -4.957 -10.404 1.00 0.01 C ATOM 317 CG GLU A 24 -1.812 -4.753 -11.385 1.00 0.01 C ATOM 318 CD GLU A 24 -2.059 -5.561 -12.659 1.00 0.01 C ATOM 319 OE1 GLU A 24 -2.994 -6.341 -12.672 1.00 0.00 O ATOM 320 OE2 GLU A 24 -1.302 -5.386 -13.600 1.00 0.01 O ATOM 0 H GLU A 24 -4.570 -4.981 -8.473 1.00 0.01 H new ATOM 0 HA GLU A 24 -1.783 -4.475 -8.680 1.00 0.01 H new ATOM 0 HB2 GLU A 24 -3.078 -6.014 -10.160 1.00 0.01 H new ATOM 0 HB3 GLU A 24 -3.913 -4.644 -10.865 1.00 0.01 H new ATOM 0 HG2 GLU A 24 -1.711 -3.695 -11.628 1.00 0.01 H new ATOM 0 HG3 GLU A 24 -0.876 -5.064 -10.922 1.00 0.01 H new ATOM 327 N CYS A 25 -3.738 -1.989 -9.599 1.00 0.01 N ATOM 328 CA CYS A 25 -3.676 -0.542 -9.942 1.00 0.01 C ATOM 329 C CYS A 25 -3.392 0.247 -8.669 1.00 0.01 C ATOM 330 O CYS A 25 -2.689 1.238 -8.689 1.00 0.00 O ATOM 331 CB CYS A 25 -5.010 -0.090 -10.535 1.00 0.01 C ATOM 332 SG CYS A 25 -4.797 1.541 -11.287 1.00 0.00 S ATOM 0 H CYS A 25 -4.675 -2.373 -9.476 1.00 0.01 H new ATOM 0 HA CYS A 25 -2.888 -0.370 -10.675 1.00 0.01 H new ATOM 0 HB2 CYS A 25 -5.353 -0.807 -11.281 1.00 0.01 H new ATOM 0 HB3 CYS A 25 -5.773 -0.050 -9.758 1.00 0.01 H new ATOM 0 HG CYS A 25 -5.018 1.462 -12.566 1.00 0.00 H new ATOM 338 N GLY A 26 -3.901 -0.195 -7.554 1.00 0.01 N ATOM 339 CA GLY A 26 -3.617 0.529 -6.288 1.00 0.01 C ATOM 340 C GLY A 26 -2.109 0.519 -6.079 1.00 0.01 C ATOM 341 O GLY A 26 -1.509 1.526 -5.762 1.00 0.01 O ATOM 0 H GLY A 26 -4.496 -1.019 -7.466 1.00 0.01 H new ATOM 0 HA2 GLY A 26 -3.989 1.552 -6.340 1.00 0.01 H new ATOM 0 HA3 GLY A 26 -4.123 0.048 -5.451 1.00 0.01 H new ATOM 345 N LEU A 27 -1.482 -0.609 -6.287 1.00 0.01 N ATOM 346 CA LEU A 27 -0.006 -0.667 -6.134 1.00 0.00 C ATOM 347 C LEU A 27 0.617 0.317 -7.120 1.00 0.00 C ATOM 348 O LEU A 27 1.511 1.065 -6.790 1.00 0.00 O ATOM 349 CB LEU A 27 0.501 -2.081 -6.441 1.00 0.00 C ATOM 350 CG LEU A 27 0.103 -3.050 -5.314 1.00 0.00 C ATOM 351 CD1 LEU A 27 0.179 -4.488 -5.837 1.00 0.00 C ATOM 352 CD2 LEU A 27 1.060 -2.899 -4.115 1.00 0.01 C ATOM 0 H LEU A 27 -1.929 -1.486 -6.555 1.00 0.01 H new ATOM 0 HA LEU A 27 0.269 -0.410 -5.111 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.086 -2.425 -7.388 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.585 -2.069 -6.553 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.912 -2.820 -4.991 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.102 -5.179 -5.043 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.504 -4.606 -6.679 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.197 -4.704 -6.162 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.766 -3.591 -3.326 1.00 0.01 H new ATOM 0 HD22 LEU A 27 2.079 -3.122 -4.432 1.00 0.01 H new ATOM 0 HD23 LEU A 27 1.013 -1.877 -3.738 1.00 0.01 H new ATOM 364 N ALA A 28 0.137 0.335 -8.332 1.00 0.00 N ATOM 365 CA ALA A 28 0.702 1.279 -9.333 1.00 0.00 C ATOM 366 C ALA A 28 0.546 2.702 -8.809 1.00 0.01 C ATOM 367 O ALA A 28 1.486 3.471 -8.774 1.00 0.00 O ATOM 368 CB ALA A 28 -0.061 1.136 -10.651 1.00 0.00 C ATOM 0 H ALA A 28 -0.619 -0.261 -8.671 1.00 0.00 H new ATOM 0 HA ALA A 28 1.756 1.058 -9.500 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.351 1.827 -11.387 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.036 0.114 -11.018 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.114 1.365 -10.488 1.00 0.00 H new ATOM 374 N ALA A 29 -0.631 3.054 -8.387 1.00 0.00 N ATOM 375 CA ALA A 29 -0.848 4.422 -7.851 1.00 0.01 C ATOM 376 C ALA A 29 -0.127 4.554 -6.510 1.00 0.00 C ATOM 377 O ALA A 29 0.443 5.580 -6.198 1.00 0.00 O ATOM 378 CB ALA A 29 -2.343 4.660 -7.646 1.00 0.01 C ATOM 0 H ALA A 29 -1.455 2.453 -8.390 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.458 5.157 -8.555 1.00 0.01 H new ATOM 0 HB1 ALA A 29 -2.501 5.664 -7.253 1.00 0.01 H new ATOM 0 HB2 ALA A 29 -2.862 4.558 -8.599 1.00 0.01 H new ATOM 0 HB3 ALA A 29 -2.734 3.928 -6.940 1.00 0.01 H new ATOM 384 N PHE A 30 -0.162 3.526 -5.707 1.00 0.00 N ATOM 385 CA PHE A 30 0.507 3.603 -4.381 1.00 0.00 C ATOM 386 C PHE A 30 2.027 3.631 -4.555 1.00 0.00 C ATOM 387 O PHE A 30 2.716 4.362 -3.874 1.00 0.00 O ATOM 388 CB PHE A 30 0.091 2.406 -3.522 1.00 0.00 C ATOM 389 CG PHE A 30 0.594 2.596 -2.109 1.00 0.00 C ATOM 390 CD1 PHE A 30 0.163 3.694 -1.348 1.00 0.00 C ATOM 391 CD2 PHE A 30 1.497 1.679 -1.555 1.00 0.00 C ATOM 392 CE1 PHE A 30 0.639 3.872 -0.048 1.00 0.00 C ATOM 393 CE2 PHE A 30 1.966 1.858 -0.251 1.00 0.00 C ATOM 394 CZ PHE A 30 1.538 2.956 0.503 1.00 0.00 C ATOM 0 H PHE A 30 -0.624 2.640 -5.912 1.00 0.00 H new ATOM 0 HA PHE A 30 0.201 4.522 -3.881 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.994 2.305 -3.522 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.496 1.486 -3.942 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.537 4.401 -1.768 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.831 0.833 -2.137 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.311 4.721 0.534 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.659 1.148 0.175 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.902 3.095 1.510 1.00 0.00 H new ATOM 404 N LYS A 31 2.565 2.864 -5.463 1.00 0.00 N ATOM 405 CA LYS A 31 4.044 2.894 -5.658 1.00 0.00 C ATOM 406 C LYS A 31 4.460 4.328 -6.004 1.00 0.00 C ATOM 407 O LYS A 31 5.428 4.852 -5.485 1.00 0.00 O ATOM 408 CB LYS A 31 4.430 1.972 -6.819 1.00 0.00 C ATOM 409 CG LYS A 31 4.316 0.495 -6.405 1.00 0.00 C ATOM 410 CD LYS A 31 5.547 0.061 -5.600 1.00 0.00 C ATOM 411 CE LYS A 31 5.604 -1.467 -5.545 1.00 0.01 C ATOM 412 NZ LYS A 31 4.279 -2.000 -5.121 1.00 0.00 N ATOM 0 H LYS A 31 2.053 2.225 -6.072 1.00 0.00 H new ATOM 0 HA LYS A 31 4.543 2.559 -4.748 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.782 2.166 -7.674 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.450 2.188 -7.137 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.415 0.348 -5.809 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.217 -0.130 -7.293 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.454 0.454 -6.061 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.499 0.471 -4.591 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.872 -1.867 -6.523 1.00 0.01 H new ATOM 0 HE3 LYS A 31 6.377 -1.788 -4.847 1.00 0.01 H new ATOM 0 HZ1 LYS A 31 4.412 -2.902 -4.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.817 -1.318 -4.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 3.682 -2.153 -5.959 1.00 0.00 H new ATOM 426 N ALA A 32 3.726 4.971 -6.876 1.00 0.00 N ATOM 427 CA ALA A 32 4.072 6.371 -7.256 1.00 0.00 C ATOM 428 C ALA A 32 3.818 7.302 -6.074 1.00 0.01 C ATOM 429 O ALA A 32 4.588 8.203 -5.803 1.00 0.00 O ATOM 430 CB ALA A 32 3.200 6.808 -8.431 1.00 0.00 C ATOM 0 H ALA A 32 2.903 4.586 -7.340 1.00 0.00 H new ATOM 0 HA ALA A 32 5.124 6.417 -7.538 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.452 7.831 -8.710 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.375 6.147 -9.280 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.150 6.758 -8.143 1.00 0.00 H new ATOM 436 N PHE A 33 2.747 7.090 -5.362 1.00 0.00 N ATOM 437 CA PHE A 33 2.452 7.960 -4.193 1.00 0.00 C ATOM 438 C PHE A 33 3.598 7.852 -3.191 1.00 0.00 C ATOM 439 O PHE A 33 4.023 8.829 -2.612 1.00 0.00 O ATOM 440 CB PHE A 33 1.136 7.526 -3.554 1.00 0.00 C ATOM 441 CG PHE A 33 0.846 8.410 -2.370 1.00 0.00 C ATOM 442 CD1 PHE A 33 0.120 9.594 -2.536 1.00 0.00 C ATOM 443 CD2 PHE A 33 1.308 8.039 -1.103 1.00 0.00 C ATOM 444 CE1 PHE A 33 -0.139 10.412 -1.432 1.00 0.01 C ATOM 445 CE2 PHE A 33 1.045 8.854 0.001 1.00 0.00 C ATOM 446 CZ PHE A 33 0.323 10.042 -0.163 1.00 0.00 C ATOM 0 H PHE A 33 2.065 6.353 -5.540 1.00 0.00 H new ATOM 0 HA PHE A 33 2.356 8.998 -4.512 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.326 7.593 -4.280 1.00 0.00 H new ATOM 0 HB3 PHE A 33 1.197 6.484 -3.239 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.240 9.876 -3.515 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.867 7.124 -0.978 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -0.695 11.329 -1.558 1.00 0.01 H new ATOM 0 HE2 PHE A 33 1.399 8.568 0.980 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.122 10.674 0.690 1.00 0.00 H new ATOM 456 N LEU A 34 4.120 6.676 -2.998 1.00 0.00 N ATOM 457 CA LEU A 34 5.258 6.517 -2.051 1.00 0.00 C ATOM 458 C LEU A 34 6.424 7.376 -2.530 1.00 0.00 C ATOM 459 O LEU A 34 7.113 7.994 -1.743 1.00 0.00 O ATOM 460 CB LEU A 34 5.692 5.055 -2.008 1.00 0.00 C ATOM 461 CG LEU A 34 4.629 4.203 -1.301 1.00 0.00 C ATOM 462 CD1 LEU A 34 4.967 2.717 -1.493 1.00 0.00 C ATOM 463 CD2 LEU A 34 4.589 4.534 0.208 1.00 0.00 C ATOM 0 H LEU A 34 3.809 5.818 -3.454 1.00 0.00 H new ATOM 0 HA LEU A 34 4.950 6.829 -1.053 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.849 4.685 -3.021 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.645 4.967 -1.486 1.00 0.00 H new ATOM 0 HG LEU A 34 3.652 4.421 -1.732 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.216 2.105 -0.993 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.978 2.481 -2.557 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.948 2.509 -1.065 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.830 3.921 0.695 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.563 4.326 0.652 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.346 5.588 0.343 1.00 0.00 H new ATOM 475 N LYS A 35 6.655 7.425 -3.813 1.00 0.00 N ATOM 476 CA LYS A 35 7.782 8.253 -4.322 1.00 0.00 C ATOM 477 C LYS A 35 7.555 9.707 -3.895 1.00 0.01 C ATOM 478 O LYS A 35 8.481 10.419 -3.564 1.00 0.00 O ATOM 479 CB LYS A 35 7.848 8.157 -5.851 1.00 0.00 C ATOM 480 CG LYS A 35 8.184 6.716 -6.251 1.00 0.00 C ATOM 481 CD LYS A 35 8.253 6.605 -7.778 1.00 0.00 C ATOM 482 CE LYS A 35 8.587 5.164 -8.173 1.00 0.00 C ATOM 483 NZ LYS A 35 7.506 4.254 -7.698 1.00 0.01 N ATOM 0 H LYS A 35 6.117 6.932 -4.525 1.00 0.00 H new ATOM 0 HA LYS A 35 8.725 7.892 -3.911 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.895 8.456 -6.288 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.604 8.840 -6.238 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.137 6.420 -5.812 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.428 6.035 -5.861 1.00 0.00 H new ATOM 0 HD2 LYS A 35 7.301 6.902 -8.218 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.010 7.285 -8.168 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.692 5.087 -9.255 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.542 4.869 -7.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.233 3.609 -8.466 1.00 0.01 H new ATOM 0 HZ2 LYS A 35 7.849 3.701 -6.887 1.00 0.01 H new ATOM 0 HZ3 LYS A 35 6.681 4.817 -7.409 1.00 0.01 H new ATOM 497 N SER A 36 6.323 10.148 -3.884 1.00 0.00 N ATOM 498 CA SER A 36 6.029 11.549 -3.460 1.00 0.00 C ATOM 499 C SER A 36 6.456 11.733 -2.002 1.00 0.00 C ATOM 500 O SER A 36 6.880 12.796 -1.595 1.00 0.00 O ATOM 501 CB SER A 36 4.529 11.825 -3.584 1.00 0.00 C ATOM 502 OG SER A 36 4.125 11.643 -4.934 1.00 0.00 O ATOM 0 H SER A 36 5.507 9.597 -4.151 1.00 0.00 H new ATOM 0 HA SER A 36 6.577 12.242 -4.099 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.970 11.154 -2.932 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.307 12.842 -3.261 1.00 0.00 H new ATOM 0 HG SER A 36 3.164 11.818 -5.014 1.00 0.00 H new ATOM 508 N GLU A 37 6.332 10.700 -1.207 1.00 0.00 N ATOM 509 CA GLU A 37 6.713 10.791 0.236 1.00 0.00 C ATOM 510 C GLU A 37 8.072 10.117 0.442 1.00 0.00 C ATOM 511 O GLU A 37 8.563 10.015 1.548 1.00 0.00 O ATOM 512 CB GLU A 37 5.661 10.066 1.075 1.00 0.00 C ATOM 513 CG GLU A 37 4.344 10.842 1.027 1.00 0.00 C ATOM 514 CD GLU A 37 3.293 10.113 1.866 1.00 0.01 C ATOM 515 OE1 GLU A 37 3.559 8.995 2.272 1.00 0.00 O ATOM 516 OE2 GLU A 37 2.239 10.686 2.087 1.00 0.00 O ATOM 0 H GLU A 37 5.980 9.788 -1.499 1.00 0.00 H new ATOM 0 HA GLU A 37 6.772 11.837 0.538 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.513 9.055 0.697 1.00 0.00 H new ATOM 0 HB3 GLU A 37 6.003 9.974 2.106 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.491 11.853 1.407 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.002 10.935 -0.004 1.00 0.00 H new ATOM 523 N TYR A 38 8.677 9.662 -0.621 1.00 0.00 N ATOM 524 CA TYR A 38 10.005 8.997 -0.508 1.00 0.00 C ATOM 525 C TYR A 38 9.903 7.834 0.475 1.00 0.00 C ATOM 526 O TYR A 38 10.859 7.471 1.133 1.00 0.00 O ATOM 527 CB TYR A 38 11.035 10.012 -0.024 1.00 0.00 C ATOM 528 CG TYR A 38 10.978 11.218 -0.924 1.00 0.00 C ATOM 529 CD1 TYR A 38 11.741 11.258 -2.096 1.00 0.00 C ATOM 530 CD2 TYR A 38 10.145 12.292 -0.593 1.00 0.00 C ATOM 531 CE1 TYR A 38 11.673 12.376 -2.937 1.00 0.00 C ATOM 532 CE2 TYR A 38 10.074 13.407 -1.431 1.00 0.00 C ATOM 533 CZ TYR A 38 10.837 13.451 -2.603 1.00 0.01 C ATOM 534 OH TYR A 38 10.764 14.552 -3.431 1.00 0.00 O ATOM 0 H TYR A 38 8.305 9.723 -1.569 1.00 0.00 H new ATOM 0 HA TYR A 38 10.315 8.613 -1.480 1.00 0.00 H new ATOM 0 HB2 TYR A 38 10.828 10.299 1.007 1.00 0.00 H new ATOM 0 HB3 TYR A 38 12.033 9.575 -0.039 1.00 0.00 H new ATOM 0 HD1 TYR A 38 12.382 10.427 -2.352 1.00 0.00 H new ATOM 0 HD2 TYR A 38 9.556 12.259 0.312 1.00 0.00 H new ATOM 0 HE1 TYR A 38 12.263 12.410 -3.841 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.430 14.235 -1.174 1.00 0.00 H new ATOM 0 HH TYR A 38 10.138 15.204 -3.053 1.00 0.00 H new ATOM 544 N SER A 39 8.744 7.242 0.564 1.00 0.00 N ATOM 545 CA SER A 39 8.540 6.087 1.485 1.00 0.00 C ATOM 546 C SER A 39 8.574 4.797 0.659 1.00 0.00 C ATOM 547 O SER A 39 7.933 3.822 0.985 1.00 0.00 O ATOM 548 CB SER A 39 7.185 6.231 2.189 1.00 0.00 C ATOM 549 OG SER A 39 7.341 7.069 3.328 1.00 0.00 O ATOM 0 H SER A 39 7.918 7.513 0.030 1.00 0.00 H new ATOM 0 HA SER A 39 9.325 6.058 2.241 1.00 0.00 H new ATOM 0 HB2 SER A 39 6.450 6.657 1.506 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.811 5.252 2.490 1.00 0.00 H new ATOM 0 HG SER A 39 6.478 7.167 3.782 1.00 0.00 H new ATOM 555 N GLU A 40 9.314 4.794 -0.418 1.00 0.00 N ATOM 556 CA GLU A 40 9.381 3.575 -1.271 1.00 0.00 C ATOM 557 C GLU A 40 9.982 2.425 -0.467 1.00 0.00 C ATOM 558 O GLU A 40 9.694 1.277 -0.703 1.00 0.00 O ATOM 559 CB GLU A 40 10.257 3.848 -2.497 1.00 0.00 C ATOM 560 CG GLU A 40 11.673 4.228 -2.051 1.00 0.00 C ATOM 561 CD GLU A 40 12.515 4.589 -3.276 1.00 0.00 C ATOM 562 OE1 GLU A 40 12.875 3.685 -4.009 1.00 0.00 O ATOM 563 OE2 GLU A 40 12.784 5.764 -3.460 1.00 0.00 O ATOM 0 H GLU A 40 9.874 5.583 -0.742 1.00 0.00 H new ATOM 0 HA GLU A 40 8.376 3.309 -1.597 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.292 2.964 -3.134 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.825 4.653 -3.092 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.634 5.072 -1.362 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.131 3.398 -1.513 1.00 0.00 H new ATOM 570 N GLU A 41 10.809 2.714 0.487 1.00 0.00 N ATOM 571 CA GLU A 41 11.396 1.613 1.291 1.00 0.00 C ATOM 572 C GLU A 41 10.266 0.855 1.999 1.00 0.00 C ATOM 573 O GLU A 41 10.370 -0.325 2.267 1.00 0.00 O ATOM 574 CB GLU A 41 12.373 2.191 2.322 1.00 0.00 C ATOM 575 CG GLU A 41 11.741 3.405 3.023 1.00 0.00 C ATOM 576 CD GLU A 41 11.982 4.673 2.194 1.00 0.00 C ATOM 577 OE1 GLU A 41 11.173 4.951 1.324 1.00 0.00 O ATOM 578 OE2 GLU A 41 12.967 5.344 2.446 1.00 0.00 O ATOM 0 H GLU A 41 11.104 3.655 0.746 1.00 0.00 H new ATOM 0 HA GLU A 41 11.939 0.927 0.641 1.00 0.00 H new ATOM 0 HB2 GLU A 41 12.631 1.429 3.058 1.00 0.00 H new ATOM 0 HB3 GLU A 41 13.300 2.486 1.831 1.00 0.00 H new ATOM 0 HG2 GLU A 41 10.671 3.244 3.153 1.00 0.00 H new ATOM 0 HG3 GLU A 41 12.169 3.524 4.018 1.00 0.00 H new ATOM 585 N ASN A 42 9.188 1.530 2.309 1.00 0.00 N ATOM 586 CA ASN A 42 8.050 0.855 3.006 1.00 0.00 C ATOM 587 C ASN A 42 7.487 -0.295 2.159 1.00 0.00 C ATOM 588 O ASN A 42 7.230 -1.368 2.667 1.00 0.00 O ATOM 589 CB ASN A 42 6.935 1.867 3.273 1.00 0.00 C ATOM 590 CG ASN A 42 7.388 2.857 4.349 1.00 0.00 C ATOM 591 OD1 ASN A 42 6.683 3.795 4.661 1.00 0.00 O ATOM 592 ND2 ASN A 42 8.546 2.688 4.931 1.00 0.00 N ATOM 0 H ASN A 42 9.046 2.520 2.110 1.00 0.00 H new ATOM 0 HA ASN A 42 8.423 0.449 3.946 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.686 2.400 2.355 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.031 1.351 3.597 1.00 0.00 H new ATOM 0 HD21 ASN A 42 8.857 3.344 5.647 1.00 0.00 H new ATOM 0 HD22 ASN A 42 9.138 1.900 4.669 1.00 0.00 H new ATOM 599 N ILE A 43 7.276 -0.094 0.880 1.00 0.00 N ATOM 600 CA ILE A 43 6.714 -1.209 0.059 1.00 0.00 C ATOM 601 C ILE A 43 7.782 -2.293 -0.080 1.00 0.00 C ATOM 602 O ILE A 43 7.502 -3.471 0.017 1.00 0.00 O ATOM 603 CB ILE A 43 6.255 -0.689 -1.320 1.00 0.00 C ATOM 604 CG1 ILE A 43 5.255 -1.674 -1.949 1.00 0.00 C ATOM 605 CG2 ILE A 43 7.451 -0.531 -2.267 1.00 0.00 C ATOM 606 CD1 ILE A 43 3.922 -1.677 -1.183 1.00 0.00 C ATOM 0 H ILE A 43 7.464 0.774 0.379 1.00 0.00 H new ATOM 0 HA ILE A 43 5.837 -1.631 0.550 1.00 0.00 H new ATOM 0 HB ILE A 43 5.781 0.281 -1.172 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.079 -1.403 -2.990 1.00 0.00 H new ATOM 0 HG13 ILE A 43 5.680 -2.678 -1.949 1.00 0.00 H new ATOM 0 HG21 ILE A 43 7.104 -0.164 -3.233 1.00 0.00 H new ATOM 0 HG22 ILE A 43 8.160 0.179 -1.842 1.00 0.00 H new ATOM 0 HG23 ILE A 43 7.940 -1.496 -2.400 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.235 -2.383 -1.651 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.097 -1.973 -0.149 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.487 -0.678 -1.206 1.00 0.00 H new ATOM 618 N ASP A 44 9.016 -1.905 -0.268 1.00 0.00 N ATOM 619 CA ASP A 44 10.093 -2.923 -0.364 1.00 0.00 C ATOM 620 C ASP A 44 10.142 -3.648 0.976 1.00 0.00 C ATOM 621 O ASP A 44 10.272 -4.855 1.050 1.00 0.00 O ATOM 622 CB ASP A 44 11.431 -2.229 -0.625 1.00 0.00 C ATOM 623 CG ASP A 44 11.441 -1.657 -2.044 1.00 0.00 C ATOM 624 OD1 ASP A 44 10.660 -2.126 -2.857 1.00 0.00 O ATOM 625 OD2 ASP A 44 12.226 -0.756 -2.292 1.00 0.00 O ATOM 0 H ASP A 44 9.319 -0.935 -0.358 1.00 0.00 H new ATOM 0 HA ASP A 44 9.902 -3.622 -1.178 1.00 0.00 H new ATOM 0 HB2 ASP A 44 11.587 -1.431 0.101 1.00 0.00 H new ATOM 0 HB3 ASP A 44 12.250 -2.937 -0.501 1.00 0.00 H new ATOM 630 N PHE A 45 10.003 -2.902 2.036 1.00 0.00 N ATOM 631 CA PHE A 45 9.998 -3.506 3.392 1.00 0.00 C ATOM 632 C PHE A 45 8.808 -4.458 3.497 1.00 0.00 C ATOM 633 O PHE A 45 8.906 -5.543 4.035 1.00 0.00 O ATOM 634 CB PHE A 45 9.867 -2.383 4.426 1.00 0.00 C ATOM 635 CG PHE A 45 9.857 -2.958 5.822 1.00 0.00 C ATOM 636 CD1 PHE A 45 11.059 -3.130 6.519 1.00 0.00 C ATOM 637 CD2 PHE A 45 8.643 -3.320 6.419 1.00 0.00 C ATOM 638 CE1 PHE A 45 11.047 -3.660 7.813 1.00 0.00 C ATOM 639 CE2 PHE A 45 8.632 -3.851 7.714 1.00 0.00 C ATOM 640 CZ PHE A 45 9.834 -4.020 8.410 1.00 0.00 C ATOM 0 H PHE A 45 9.892 -1.888 2.018 1.00 0.00 H new ATOM 0 HA PHE A 45 10.920 -4.059 3.574 1.00 0.00 H new ATOM 0 HB2 PHE A 45 10.695 -1.682 4.319 1.00 0.00 H new ATOM 0 HB3 PHE A 45 8.950 -1.822 4.250 1.00 0.00 H new ATOM 0 HD1 PHE A 45 11.995 -2.853 6.057 1.00 0.00 H new ATOM 0 HD2 PHE A 45 7.716 -3.190 5.881 1.00 0.00 H new ATOM 0 HE1 PHE A 45 11.974 -3.791 8.351 1.00 0.00 H new ATOM 0 HE2 PHE A 45 7.696 -4.130 8.176 1.00 0.00 H new ATOM 0 HZ PHE A 45 9.825 -4.429 9.410 1.00 0.00 H new ATOM 650 N TRP A 46 7.681 -4.049 2.977 1.00 0.00 N ATOM 651 CA TRP A 46 6.467 -4.909 3.031 1.00 0.00 C ATOM 652 C TRP A 46 6.726 -6.214 2.271 1.00 0.00 C ATOM 653 O TRP A 46 6.316 -7.276 2.689 1.00 0.00 O ATOM 654 CB TRP A 46 5.296 -4.173 2.380 1.00 0.00 C ATOM 655 CG TRP A 46 4.066 -5.017 2.473 1.00 0.00 C ATOM 656 CD1 TRP A 46 3.250 -5.076 3.550 1.00 0.00 C ATOM 657 CD2 TRP A 46 3.498 -5.919 1.479 1.00 0.00 C ATOM 658 NE1 TRP A 46 2.218 -5.955 3.282 1.00 0.00 N ATOM 659 CE2 TRP A 46 2.325 -6.501 2.019 1.00 0.00 C ATOM 660 CE3 TRP A 46 3.878 -6.289 0.174 1.00 0.01 C ATOM 661 CZ2 TRP A 46 1.558 -7.413 1.294 1.00 0.00 C ATOM 662 CZ3 TRP A 46 3.107 -7.208 -0.560 1.00 0.00 C ATOM 663 CH2 TRP A 46 1.951 -7.769 0.000 1.00 0.00 C ATOM 0 H TRP A 46 7.551 -3.149 2.514 1.00 0.00 H new ATOM 0 HA TRP A 46 6.230 -5.134 4.071 1.00 0.00 H new ATOM 0 HB2 TRP A 46 5.132 -3.216 2.876 1.00 0.00 H new ATOM 0 HB3 TRP A 46 5.523 -3.956 1.336 1.00 0.00 H new ATOM 0 HD1 TRP A 46 3.383 -4.526 4.470 1.00 0.00 H new ATOM 0 HE1 TRP A 46 1.468 -6.174 3.938 1.00 0.00 H new ATOM 0 HE3 TRP A 46 4.768 -5.864 -0.266 1.00 0.01 H new ATOM 0 HZ2 TRP A 46 0.667 -7.841 1.729 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 3.407 -7.483 -1.560 1.00 0.00 H new ATOM 0 HH2 TRP A 46 1.364 -8.476 -0.568 1.00 0.00 H new ATOM 674 N ILE A 47 7.400 -6.138 1.154 1.00 0.00 N ATOM 675 CA ILE A 47 7.675 -7.375 0.369 1.00 0.00 C ATOM 676 C ILE A 47 8.583 -8.297 1.183 1.00 0.00 C ATOM 677 O ILE A 47 8.397 -9.499 1.213 1.00 0.00 O ATOM 678 CB ILE A 47 8.344 -7.003 -0.957 1.00 0.00 C ATOM 679 CG1 ILE A 47 7.331 -6.252 -1.827 1.00 0.00 C ATOM 680 CG2 ILE A 47 8.799 -8.271 -1.685 1.00 0.00 C ATOM 681 CD1 ILE A 47 8.034 -5.653 -3.046 1.00 0.00 C ATOM 0 H ILE A 47 7.770 -5.276 0.753 1.00 0.00 H new ATOM 0 HA ILE A 47 6.740 -7.894 0.156 1.00 0.00 H new ATOM 0 HB ILE A 47 9.213 -6.373 -0.765 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.541 -6.931 -2.149 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.855 -5.462 -1.246 1.00 0.00 H new ATOM 0 HG21 ILE A 47 9.274 -7.999 -2.628 1.00 0.00 H new ATOM 0 HG22 ILE A 47 9.512 -8.812 -1.062 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.936 -8.906 -1.884 1.00 0.00 H new ATOM 0 HD11 ILE A 47 7.307 -5.121 -3.660 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.807 -4.960 -2.716 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.489 -6.451 -3.632 1.00 0.00 H new ATOM 693 N SER A 48 9.553 -7.752 1.865 1.00 0.00 N ATOM 694 CA SER A 48 10.442 -8.614 2.689 1.00 0.00 C ATOM 695 C SER A 48 9.610 -9.217 3.819 1.00 0.00 C ATOM 696 O SER A 48 9.787 -10.358 4.197 1.00 0.00 O ATOM 697 CB SER A 48 11.573 -7.775 3.283 1.00 0.00 C ATOM 698 OG SER A 48 11.037 -6.895 4.262 1.00 0.00 O ATOM 0 H SER A 48 9.766 -6.755 1.887 1.00 0.00 H new ATOM 0 HA SER A 48 10.874 -9.402 2.072 1.00 0.00 H new ATOM 0 HB2 SER A 48 12.325 -8.423 3.732 1.00 0.00 H new ATOM 0 HB3 SER A 48 12.070 -7.205 2.498 1.00 0.00 H new ATOM 0 HG SER A 48 10.380 -6.301 3.843 1.00 0.00 H new ATOM 704 N CYS A 49 8.696 -8.454 4.354 1.00 0.00 N ATOM 705 CA CYS A 49 7.840 -8.975 5.452 1.00 0.00 C ATOM 706 C CYS A 49 6.978 -10.121 4.925 1.00 0.00 C ATOM 707 O CYS A 49 6.753 -11.098 5.606 1.00 0.01 O ATOM 708 CB CYS A 49 6.941 -7.855 5.979 1.00 0.00 C ATOM 709 SG CYS A 49 7.967 -6.543 6.687 1.00 0.01 S ATOM 0 H CYS A 49 8.507 -7.491 4.076 1.00 0.00 H new ATOM 0 HA CYS A 49 8.471 -9.339 6.262 1.00 0.00 H new ATOM 0 HB2 CYS A 49 6.327 -7.456 5.171 1.00 0.00 H new ATOM 0 HB3 CYS A 49 6.259 -8.246 6.734 1.00 0.00 H new ATOM 0 HG CYS A 49 8.309 -5.707 5.752 1.00 0.01 H new ATOM 715 N GLU A 50 6.497 -10.022 3.714 1.00 0.00 N ATOM 716 CA GLU A 50 5.655 -11.126 3.168 1.00 0.00 C ATOM 717 C GLU A 50 6.473 -12.410 3.159 1.00 0.01 C ATOM 718 O GLU A 50 6.006 -13.456 3.563 1.00 0.00 O ATOM 719 CB GLU A 50 5.216 -10.781 1.743 1.00 0.01 C ATOM 720 CG GLU A 50 4.198 -9.643 1.785 1.00 0.00 C ATOM 721 CD GLU A 50 2.887 -10.156 2.382 1.00 0.01 C ATOM 722 OE1 GLU A 50 2.617 -11.338 2.238 1.00 0.00 O ATOM 723 OE2 GLU A 50 2.174 -9.360 2.972 1.00 0.01 O ATOM 0 H GLU A 50 6.648 -9.233 3.085 1.00 0.00 H new ATOM 0 HA GLU A 50 4.769 -11.259 3.789 1.00 0.00 H new ATOM 0 HB2 GLU A 50 6.080 -10.489 1.146 1.00 0.01 H new ATOM 0 HB3 GLU A 50 4.779 -11.657 1.264 1.00 0.01 H new ATOM 0 HG2 GLU A 50 4.584 -8.817 2.383 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.026 -9.257 0.780 1.00 0.00 H new ATOM 730 N GLU A 51 7.703 -12.341 2.737 1.00 0.01 N ATOM 731 CA GLU A 51 8.545 -13.563 2.752 1.00 0.00 C ATOM 732 C GLU A 51 8.634 -14.024 4.203 1.00 0.01 C ATOM 733 O GLU A 51 8.580 -15.197 4.512 1.00 0.00 O ATOM 734 CB GLU A 51 9.945 -13.235 2.230 1.00 0.00 C ATOM 735 CG GLU A 51 9.869 -12.931 0.732 1.00 0.00 C ATOM 736 CD GLU A 51 11.266 -12.603 0.210 1.00 0.00 C ATOM 737 OE1 GLU A 51 12.164 -12.455 1.023 1.00 0.00 O ATOM 738 OE2 GLU A 51 11.419 -12.509 -0.999 1.00 0.01 O ATOM 0 H GLU A 51 8.157 -11.498 2.385 1.00 0.01 H new ATOM 0 HA GLU A 51 8.116 -14.339 2.119 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.354 -12.379 2.766 1.00 0.00 H new ATOM 0 HB3 GLU A 51 10.618 -14.074 2.409 1.00 0.00 H new ATOM 0 HG2 GLU A 51 9.460 -13.788 0.196 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.196 -12.093 0.553 1.00 0.00 H new ATOM 745 N TYR A 52 8.765 -13.078 5.089 1.00 0.00 N ATOM 746 CA TYR A 52 8.857 -13.387 6.540 1.00 0.01 C ATOM 747 C TYR A 52 7.531 -14.015 7.007 1.00 0.01 C ATOM 748 O TYR A 52 7.515 -14.953 7.777 1.00 0.01 O ATOM 749 CB TYR A 52 9.119 -12.068 7.279 1.00 0.00 C ATOM 750 CG TYR A 52 9.734 -12.328 8.629 1.00 0.01 C ATOM 751 CD1 TYR A 52 11.126 -12.389 8.756 1.00 0.01 C ATOM 752 CD2 TYR A 52 8.919 -12.493 9.751 1.00 0.00 C ATOM 753 CE1 TYR A 52 11.704 -12.618 10.007 1.00 0.00 C ATOM 754 CE2 TYR A 52 9.497 -12.723 11.001 1.00 0.01 C ATOM 755 CZ TYR A 52 10.891 -12.786 11.131 1.00 0.01 C ATOM 756 OH TYR A 52 11.463 -13.016 12.365 1.00 0.01 O ATOM 0 H TYR A 52 8.813 -12.085 4.863 1.00 0.00 H new ATOM 0 HA TYR A 52 9.662 -14.093 6.745 1.00 0.01 H new ATOM 0 HB2 TYR A 52 9.783 -11.439 6.686 1.00 0.00 H new ATOM 0 HB3 TYR A 52 8.184 -11.521 7.399 1.00 0.00 H new ATOM 0 HD1 TYR A 52 11.754 -12.259 7.887 1.00 0.01 H new ATOM 0 HD2 TYR A 52 7.845 -12.443 9.652 1.00 0.00 H new ATOM 0 HE1 TYR A 52 12.778 -12.665 10.105 1.00 0.00 H new ATOM 0 HE2 TYR A 52 8.868 -12.853 11.870 1.00 0.01 H new ATOM 0 HH TYR A 52 10.795 -13.405 12.968 1.00 0.01 H new ATOM 766 N LYS A 53 6.421 -13.504 6.538 1.00 0.01 N ATOM 767 CA LYS A 53 5.094 -14.069 6.944 1.00 0.01 C ATOM 768 C LYS A 53 4.968 -15.531 6.512 1.00 0.01 C ATOM 769 O LYS A 53 4.406 -16.343 7.219 1.00 0.01 O ATOM 770 CB LYS A 53 3.961 -13.266 6.300 1.00 0.01 C ATOM 771 CG LYS A 53 3.873 -11.883 6.939 1.00 0.00 C ATOM 772 CD LYS A 53 2.738 -11.097 6.287 1.00 0.00 C ATOM 773 CE LYS A 53 2.653 -9.714 6.927 1.00 0.01 C ATOM 774 NZ LYS A 53 2.405 -9.862 8.390 1.00 0.00 N ATOM 0 H LYS A 53 6.374 -12.718 5.890 1.00 0.01 H new ATOM 0 HA LYS A 53 5.024 -14.009 8.030 1.00 0.01 H new ATOM 0 HB2 LYS A 53 4.136 -13.170 5.228 1.00 0.01 H new ATOM 0 HB3 LYS A 53 3.015 -13.793 6.423 1.00 0.01 H new ATOM 0 HG2 LYS A 53 3.698 -11.976 8.011 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.817 -11.352 6.815 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.913 -11.005 5.215 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.794 -11.627 6.412 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.579 -9.165 6.757 1.00 0.01 H new ATOM 0 HE3 LYS A 53 1.851 -9.137 6.467 1.00 0.01 H new ATOM 0 HZ1 LYS A 53 1.969 -8.993 8.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.766 -10.666 8.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.307 -10.031 8.880 1.00 0.00 H new ATOM 788 N LYS A 54 5.452 -15.873 5.351 1.00 0.00 N ATOM 789 CA LYS A 54 5.312 -17.278 4.891 1.00 0.01 C ATOM 790 C LYS A 54 6.273 -18.169 5.671 1.00 0.01 C ATOM 791 O LYS A 54 5.928 -19.263 6.070 1.00 0.01 O ATOM 792 CB LYS A 54 5.642 -17.336 3.401 1.00 0.01 C ATOM 793 CG LYS A 54 4.536 -16.622 2.624 1.00 0.01 C ATOM 794 CD LYS A 54 4.844 -16.666 1.122 1.00 0.00 C ATOM 795 CE LYS A 54 5.993 -15.707 0.767 1.00 0.01 C ATOM 796 NZ LYS A 54 7.297 -16.397 0.971 1.00 0.01 N ATOM 0 H LYS A 54 5.934 -15.245 4.707 1.00 0.00 H new ATOM 0 HA LYS A 54 4.294 -17.629 5.058 1.00 0.01 H new ATOM 0 HB2 LYS A 54 6.605 -16.862 3.209 1.00 0.01 H new ATOM 0 HB3 LYS A 54 5.725 -18.372 3.073 1.00 0.01 H new ATOM 0 HG2 LYS A 54 3.575 -17.097 2.822 1.00 0.01 H new ATOM 0 HG3 LYS A 54 4.454 -15.588 2.958 1.00 0.01 H new ATOM 0 HD2 LYS A 54 5.111 -17.682 0.831 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.952 -16.396 0.556 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.901 -15.380 -0.269 1.00 0.01 H new ATOM 0 HE3 LYS A 54 5.941 -14.814 1.390 1.00 0.01 H new ATOM 0 HZ1 LYS A 54 7.981 -16.064 0.261 1.00 0.01 H new ATOM 0 HZ2 LYS A 54 7.656 -16.186 1.924 1.00 0.01 H new ATOM 0 HZ3 LYS A 54 7.166 -17.424 0.870 1.00 0.01 H new ATOM 810 N ILE A 55 7.462 -17.709 5.922 1.00 0.01 N ATOM 811 CA ILE A 55 8.411 -18.541 6.710 1.00 0.01 C ATOM 812 C ILE A 55 7.932 -18.588 8.160 1.00 0.00 C ATOM 813 O ILE A 55 8.144 -17.668 8.923 1.00 0.01 O ATOM 814 CB ILE A 55 9.810 -17.937 6.658 1.00 0.01 C ATOM 815 CG1 ILE A 55 10.291 -17.879 5.209 1.00 0.01 C ATOM 816 CG2 ILE A 55 10.762 -18.818 7.472 1.00 0.00 C ATOM 817 CD1 ILE A 55 11.569 -17.043 5.133 1.00 0.01 C ATOM 0 H ILE A 55 7.818 -16.802 5.620 1.00 0.01 H new ATOM 0 HA ILE A 55 8.448 -19.547 6.291 1.00 0.01 H new ATOM 0 HB ILE A 55 9.790 -16.929 7.071 1.00 0.01 H new ATOM 0 HG12 ILE A 55 10.479 -18.886 4.836 1.00 0.01 H new ATOM 0 HG13 ILE A 55 9.519 -17.443 4.575 1.00 0.01 H new ATOM 0 HG21 ILE A 55 11.766 -18.394 7.441 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.420 -18.865 8.506 1.00 0.00 H new ATOM 0 HG23 ILE A 55 10.779 -19.823 7.049 1.00 0.00 H new ATOM 0 HD11 ILE A 55 11.915 -17.000 4.100 1.00 0.01 H new ATOM 0 HD12 ILE A 55 11.365 -16.033 5.490 1.00 0.01 H new ATOM 0 HD13 ILE A 55 12.340 -17.499 5.755 1.00 0.01 H new ATOM 829 N LYS A 56 7.281 -19.652 8.549 1.00 0.01 N ATOM 830 CA LYS A 56 6.779 -19.759 9.953 1.00 0.01 C ATOM 831 C LYS A 56 7.796 -20.525 10.801 1.00 0.01 C ATOM 832 O LYS A 56 7.604 -20.734 11.984 1.00 0.01 O ATOM 833 CB LYS A 56 5.439 -20.493 9.956 1.00 0.01 C ATOM 834 CG LYS A 56 4.385 -19.606 9.291 1.00 0.01 C ATOM 835 CD LYS A 56 3.032 -20.321 9.282 1.00 0.00 C ATOM 836 CE LYS A 56 1.991 -19.418 8.615 1.00 0.00 C ATOM 837 NZ LYS A 56 0.674 -20.116 8.565 1.00 0.00 N ATOM 0 H LYS A 56 7.074 -20.454 7.954 1.00 0.01 H new ATOM 0 HA LYS A 56 6.644 -18.762 10.373 1.00 0.01 H new ATOM 0 HB2 LYS A 56 5.527 -21.439 9.422 1.00 0.01 H new ATOM 0 HB3 LYS A 56 5.142 -20.730 10.978 1.00 0.01 H new ATOM 0 HG2 LYS A 56 4.303 -18.660 9.827 1.00 0.01 H new ATOM 0 HG3 LYS A 56 4.688 -19.369 8.271 1.00 0.01 H new ATOM 0 HD2 LYS A 56 3.110 -21.266 8.744 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.726 -20.559 10.301 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.897 -18.484 9.170 1.00 0.00 H new ATOM 0 HE3 LYS A 56 2.314 -19.159 7.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.029 -19.499 8.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 0.768 -20.995 8.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 0.364 -20.342 9.532 1.00 0.00 H new ATOM 851 N SER A 57 8.885 -20.936 10.207 1.00 0.00 N ATOM 852 CA SER A 57 9.928 -21.681 10.972 1.00 0.01 C ATOM 853 C SER A 57 10.908 -20.659 11.588 1.00 0.01 C ATOM 854 O SER A 57 11.592 -19.977 10.855 1.00 0.00 O ATOM 855 CB SER A 57 10.703 -22.580 10.009 1.00 0.01 C ATOM 856 OG SER A 57 9.904 -23.703 9.666 1.00 0.01 O ATOM 0 H SER A 57 9.098 -20.787 9.221 1.00 0.00 H new ATOM 0 HA SER A 57 9.463 -22.283 11.753 1.00 0.01 H new ATOM 0 HB2 SER A 57 10.972 -22.023 9.111 1.00 0.01 H new ATOM 0 HB3 SER A 57 11.634 -22.909 10.471 1.00 0.01 H new ATOM 0 HG SER A 57 10.483 -24.471 9.477 1.00 0.01 H new ATOM 862 N PRO A 58 10.991 -20.523 12.902 1.00 0.00 N ATOM 863 CA PRO A 58 11.926 -19.522 13.493 1.00 0.01 C ATOM 864 C PRO A 58 13.400 -19.898 13.287 1.00 0.00 C ATOM 865 O PRO A 58 14.291 -19.199 13.725 1.00 0.00 O ATOM 866 CB PRO A 58 11.536 -19.536 14.983 1.00 0.01 C ATOM 867 CG PRO A 58 10.653 -20.770 15.240 1.00 0.01 C ATOM 868 CD PRO A 58 10.195 -21.329 13.878 1.00 0.01 C ATOM 0 HA PRO A 58 11.841 -18.539 13.029 1.00 0.01 H new ATOM 0 HB2 PRO A 58 12.428 -19.570 15.609 1.00 0.01 H new ATOM 0 HB3 PRO A 58 10.999 -18.624 15.243 1.00 0.01 H new ATOM 0 HG2 PRO A 58 11.209 -21.527 15.793 1.00 0.01 H new ATOM 0 HG3 PRO A 58 9.790 -20.500 15.849 1.00 0.01 H new ATOM 0 HD2 PRO A 58 10.404 -22.395 13.788 1.00 0.01 H new ATOM 0 HD3 PRO A 58 9.123 -21.201 13.728 1.00 0.01 H new ATOM 876 N SER A 59 13.666 -20.991 12.623 1.00 0.01 N ATOM 877 CA SER A 59 15.085 -21.391 12.398 1.00 0.01 C ATOM 878 C SER A 59 15.621 -20.680 11.154 1.00 0.01 C ATOM 879 O SER A 59 16.803 -20.426 11.037 1.00 0.01 O ATOM 880 CB SER A 59 15.171 -22.904 12.193 1.00 0.01 C ATOM 881 OG SER A 59 14.667 -23.565 13.346 1.00 0.01 O ATOM 0 H SER A 59 12.967 -21.621 12.229 1.00 0.01 H new ATOM 0 HA SER A 59 15.680 -21.111 13.267 1.00 0.01 H new ATOM 0 HB2 SER A 59 14.598 -23.196 11.313 1.00 0.01 H new ATOM 0 HB3 SER A 59 16.205 -23.200 12.013 1.00 0.01 H new ATOM 0 HG SER A 59 14.720 -24.535 13.216 1.00 0.01 H new ATOM 887 N LYS A 60 14.762 -20.362 10.216 1.00 0.00 N ATOM 888 CA LYS A 60 15.228 -19.675 8.971 1.00 0.00 C ATOM 889 C LYS A 60 15.045 -18.158 9.093 1.00 0.01 C ATOM 890 O LYS A 60 15.666 -17.396 8.381 1.00 0.01 O ATOM 891 CB LYS A 60 14.419 -20.185 7.781 1.00 0.01 C ATOM 892 CG LYS A 60 14.794 -21.647 7.509 1.00 0.01 C ATOM 893 CD LYS A 60 14.048 -22.174 6.274 1.00 0.01 C ATOM 894 CE LYS A 60 12.626 -22.602 6.654 1.00 0.01 C ATOM 895 NZ LYS A 60 12.690 -23.695 7.666 1.00 0.01 N ATOM 0 H LYS A 60 13.760 -20.548 10.259 1.00 0.00 H new ATOM 0 HA LYS A 60 16.286 -19.891 8.825 1.00 0.00 H new ATOM 0 HB2 LYS A 60 13.352 -20.103 7.989 1.00 0.01 H new ATOM 0 HB3 LYS A 60 14.620 -19.575 6.900 1.00 0.01 H new ATOM 0 HG2 LYS A 60 15.870 -21.730 7.354 1.00 0.01 H new ATOM 0 HG3 LYS A 60 14.549 -22.259 8.377 1.00 0.01 H new ATOM 0 HD2 LYS A 60 14.010 -21.401 5.507 1.00 0.01 H new ATOM 0 HD3 LYS A 60 14.588 -23.020 5.848 1.00 0.01 H new ATOM 0 HE2 LYS A 60 12.074 -21.752 7.055 1.00 0.01 H new ATOM 0 HE3 LYS A 60 12.088 -22.942 5.769 1.00 0.01 H new ATOM 0 HZ1 LYS A 60 11.807 -24.243 7.641 1.00 0.01 H new ATOM 0 HZ2 LYS A 60 13.492 -24.321 7.451 1.00 0.01 H new ATOM 0 HZ3 LYS A 60 12.816 -23.284 8.613 1.00 0.01 H new ATOM 909 N LEU A 61 14.199 -17.709 9.978 1.00 0.01 N ATOM 910 CA LEU A 61 13.997 -16.239 10.117 1.00 0.01 C ATOM 911 C LEU A 61 15.310 -15.588 10.564 1.00 0.01 C ATOM 912 O LEU A 61 15.671 -14.521 10.110 1.00 0.01 O ATOM 913 CB LEU A 61 12.907 -15.961 11.162 1.00 0.01 C ATOM 914 CG LEU A 61 11.587 -16.621 10.735 1.00 0.00 C ATOM 915 CD1 LEU A 61 10.504 -16.342 11.791 1.00 0.01 C ATOM 916 CD2 LEU A 61 11.130 -16.075 9.369 1.00 0.01 C ATOM 0 H LEU A 61 13.643 -18.290 10.606 1.00 0.01 H new ATOM 0 HA LEU A 61 13.689 -15.824 9.158 1.00 0.01 H new ATOM 0 HB2 LEU A 61 13.217 -16.345 12.134 1.00 0.01 H new ATOM 0 HB3 LEU A 61 12.766 -14.886 11.275 1.00 0.01 H new ATOM 0 HG LEU A 61 11.745 -17.696 10.648 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.569 -16.811 11.486 1.00 0.01 H new ATOM 0 HD12 LEU A 61 10.818 -16.751 12.751 1.00 0.01 H new ATOM 0 HD13 LEU A 61 10.356 -15.266 11.885 1.00 0.01 H new ATOM 0 HD21 LEU A 61 10.194 -16.553 9.081 1.00 0.01 H new ATOM 0 HD22 LEU A 61 10.981 -14.998 9.439 1.00 0.01 H new ATOM 0 HD23 LEU A 61 11.892 -16.288 8.619 1.00 0.01 H new ATOM 928 N SER A 62 16.022 -16.222 11.452 1.00 0.00 N ATOM 929 CA SER A 62 17.307 -15.643 11.943 1.00 0.01 C ATOM 930 C SER A 62 18.229 -15.248 10.765 1.00 0.01 C ATOM 931 O SER A 62 18.526 -14.082 10.594 1.00 0.01 O ATOM 932 CB SER A 62 17.996 -16.653 12.874 1.00 0.01 C ATOM 933 OG SER A 62 17.685 -16.323 14.222 1.00 0.01 O ATOM 0 H SER A 62 15.770 -17.121 11.862 1.00 0.00 H new ATOM 0 HA SER A 62 17.095 -14.732 12.502 1.00 0.01 H new ATOM 0 HB2 SER A 62 17.661 -17.665 12.647 1.00 0.01 H new ATOM 0 HB3 SER A 62 19.075 -16.633 12.720 1.00 0.01 H new ATOM 0 HG SER A 62 18.119 -16.963 14.824 1.00 0.01 H new ATOM 939 N PRO A 63 18.692 -16.183 9.962 1.00 0.00 N ATOM 940 CA PRO A 63 19.592 -15.830 8.824 1.00 0.00 C ATOM 941 C PRO A 63 19.063 -14.656 7.985 1.00 0.01 C ATOM 942 O PRO A 63 19.745 -13.671 7.794 1.00 0.00 O ATOM 943 CB PRO A 63 19.643 -17.142 8.012 1.00 0.01 C ATOM 944 CG PRO A 63 18.774 -18.193 8.732 1.00 0.01 C ATOM 945 CD PRO A 63 18.377 -17.630 10.108 1.00 0.01 C ATOM 0 HA PRO A 63 20.571 -15.485 9.156 1.00 0.00 H new ATOM 0 HB2 PRO A 63 19.276 -16.976 6.999 1.00 0.01 H new ATOM 0 HB3 PRO A 63 20.671 -17.495 7.925 1.00 0.01 H new ATOM 0 HG2 PRO A 63 17.885 -18.419 8.143 1.00 0.01 H new ATOM 0 HG3 PRO A 63 19.325 -19.126 8.848 1.00 0.01 H new ATOM 0 HD2 PRO A 63 17.322 -17.796 10.326 1.00 0.01 H new ATOM 0 HD3 PRO A 63 18.946 -18.091 10.915 1.00 0.01 H new ATOM 953 N LYS A 64 17.864 -14.750 7.470 1.00 0.01 N ATOM 954 CA LYS A 64 17.342 -13.625 6.643 1.00 0.01 C ATOM 955 C LYS A 64 17.024 -12.427 7.545 1.00 0.00 C ATOM 956 O LYS A 64 17.146 -11.289 7.137 1.00 0.00 O ATOM 957 CB LYS A 64 16.084 -14.060 5.878 1.00 0.00 C ATOM 958 CG LYS A 64 14.900 -14.217 6.839 1.00 0.01 C ATOM 959 CD LYS A 64 13.721 -14.887 6.112 1.00 0.01 C ATOM 960 CE LYS A 64 13.072 -13.910 5.098 1.00 0.01 C ATOM 961 NZ LYS A 64 11.661 -13.654 5.491 1.00 0.00 N ATOM 0 H LYS A 64 17.234 -15.544 7.584 1.00 0.01 H new ATOM 0 HA LYS A 64 18.103 -13.337 5.918 1.00 0.01 H new ATOM 0 HB2 LYS A 64 15.843 -13.323 5.112 1.00 0.00 H new ATOM 0 HB3 LYS A 64 16.271 -15.003 5.365 1.00 0.00 H new ATOM 0 HG2 LYS A 64 15.196 -14.817 7.700 1.00 0.01 H new ATOM 0 HG3 LYS A 64 14.597 -13.241 7.219 1.00 0.01 H new ATOM 0 HD2 LYS A 64 14.069 -15.780 5.592 1.00 0.01 H new ATOM 0 HD3 LYS A 64 12.976 -15.211 6.839 1.00 0.01 H new ATOM 0 HE2 LYS A 64 13.629 -12.973 5.071 1.00 0.01 H new ATOM 0 HE3 LYS A 64 13.110 -14.332 4.094 1.00 0.01 H new ATOM 0 HZ1 LYS A 64 11.416 -12.666 5.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 11.032 -14.288 4.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 11.547 -13.829 6.510 1.00 0.00 H new ATOM 975 N ALA A 65 16.630 -12.662 8.771 1.00 0.00 N ATOM 976 CA ALA A 65 16.327 -11.517 9.673 1.00 0.01 C ATOM 977 C ALA A 65 17.582 -10.662 9.829 1.00 0.01 C ATOM 978 O ALA A 65 17.542 -9.452 9.726 1.00 0.01 O ATOM 979 CB ALA A 65 15.896 -12.034 11.047 1.00 0.01 C ATOM 0 H ALA A 65 16.507 -13.588 9.181 1.00 0.00 H new ATOM 0 HA ALA A 65 15.519 -10.923 9.245 1.00 0.01 H new ATOM 0 HB1 ALA A 65 15.676 -11.190 11.701 1.00 0.01 H new ATOM 0 HB2 ALA A 65 15.004 -12.652 10.940 1.00 0.01 H new ATOM 0 HB3 ALA A 65 16.700 -12.629 11.480 1.00 0.01 H new ATOM 985 N LYS A 66 18.701 -11.287 10.073 1.00 0.01 N ATOM 986 CA LYS A 66 19.962 -10.516 10.230 1.00 0.00 C ATOM 987 C LYS A 66 20.251 -9.763 8.930 1.00 0.01 C ATOM 988 O LYS A 66 20.611 -8.601 8.936 1.00 0.01 O ATOM 989 CB LYS A 66 21.115 -11.475 10.528 1.00 0.01 C ATOM 990 CG LYS A 66 20.925 -12.088 11.918 1.00 0.01 C ATOM 991 CD LYS A 66 22.080 -13.047 12.213 1.00 0.01 C ATOM 992 CE LYS A 66 21.894 -13.661 13.603 1.00 0.00 C ATOM 993 NZ LYS A 66 23.067 -14.524 13.920 1.00 0.00 N ATOM 0 H LYS A 66 18.795 -12.298 10.170 1.00 0.01 H new ATOM 0 HA LYS A 66 19.860 -9.809 11.053 1.00 0.00 H new ATOM 0 HB2 LYS A 66 21.152 -12.262 9.774 1.00 0.01 H new ATOM 0 HB3 LYS A 66 22.065 -10.943 10.480 1.00 0.01 H new ATOM 0 HG2 LYS A 66 20.889 -11.302 12.672 1.00 0.01 H new ATOM 0 HG3 LYS A 66 19.975 -12.620 11.966 1.00 0.01 H new ATOM 0 HD2 LYS A 66 22.115 -13.833 11.459 1.00 0.01 H new ATOM 0 HD3 LYS A 66 23.030 -12.515 12.163 1.00 0.01 H new ATOM 0 HE2 LYS A 66 21.794 -12.874 14.351 1.00 0.00 H new ATOM 0 HE3 LYS A 66 20.976 -14.249 13.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 22.945 -14.943 14.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 23.142 -15.282 13.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 23.934 -13.950 13.906 1.00 0.00 H new ATOM 1007 N LYS A 67 20.095 -10.420 7.809 1.00 0.00 N ATOM 1008 CA LYS A 67 20.357 -9.749 6.504 1.00 0.00 C ATOM 1009 C LYS A 67 19.362 -8.606 6.321 1.00 0.01 C ATOM 1010 O LYS A 67 19.732 -7.483 6.039 1.00 0.01 O ATOM 1011 CB LYS A 67 20.180 -10.766 5.376 1.00 0.00 C ATOM 1012 CG LYS A 67 21.313 -11.789 5.437 1.00 0.01 C ATOM 1013 CD LYS A 67 21.143 -12.810 4.311 1.00 0.00 C ATOM 1014 CE LYS A 67 22.278 -13.832 4.378 1.00 0.00 C ATOM 1015 NZ LYS A 67 22.300 -14.460 5.728 1.00 0.01 N ATOM 0 H LYS A 67 19.797 -11.393 7.743 1.00 0.00 H new ATOM 0 HA LYS A 67 21.373 -9.354 6.485 1.00 0.00 H new ATOM 0 HB2 LYS A 67 19.217 -11.267 5.470 1.00 0.00 H new ATOM 0 HB3 LYS A 67 20.183 -10.260 4.411 1.00 0.00 H new ATOM 0 HG2 LYS A 67 22.276 -11.286 5.344 1.00 0.01 H new ATOM 0 HG3 LYS A 67 21.309 -12.294 6.403 1.00 0.01 H new ATOM 0 HD2 LYS A 67 20.180 -13.313 4.403 1.00 0.00 H new ATOM 0 HD3 LYS A 67 21.149 -12.306 3.344 1.00 0.00 H new ATOM 0 HE2 LYS A 67 22.140 -14.595 3.612 1.00 0.00 H new ATOM 0 HE3 LYS A 67 23.232 -13.346 4.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 22.772 -15.385 5.673 1.00 0.01 H new ATOM 0 HZ2 LYS A 67 22.818 -13.846 6.388 1.00 0.01 H new ATOM 0 HZ3 LYS A 67 21.325 -14.589 6.067 1.00 0.01 H new ATOM 1029 N ILE A 68 18.097 -8.876 6.502 1.00 0.01 N ATOM 1030 CA ILE A 68 17.083 -7.801 6.361 1.00 0.00 C ATOM 1031 C ILE A 68 17.399 -6.730 7.398 1.00 0.01 C ATOM 1032 O ILE A 68 17.366 -5.546 7.129 1.00 0.00 O ATOM 1033 CB ILE A 68 15.686 -8.379 6.622 1.00 0.01 C ATOM 1034 CG1 ILE A 68 15.312 -9.338 5.489 1.00 0.00 C ATOM 1035 CG2 ILE A 68 14.657 -7.247 6.681 1.00 0.00 C ATOM 1036 CD1 ILE A 68 14.054 -10.119 5.877 1.00 0.00 C ATOM 0 H ILE A 68 17.726 -9.795 6.741 1.00 0.01 H new ATOM 0 HA ILE A 68 17.104 -7.378 5.357 1.00 0.00 H new ATOM 0 HB ILE A 68 15.692 -8.913 7.572 1.00 0.01 H new ATOM 0 HG12 ILE A 68 15.138 -8.780 4.569 1.00 0.00 H new ATOM 0 HG13 ILE A 68 16.135 -10.026 5.294 1.00 0.00 H new ATOM 0 HG21 ILE A 68 13.667 -7.664 6.867 1.00 0.00 H new ATOM 0 HG22 ILE A 68 14.918 -6.560 7.486 1.00 0.00 H new ATOM 0 HG23 ILE A 68 14.652 -6.710 5.733 1.00 0.00 H new ATOM 0 HD11 ILE A 68 13.787 -10.802 5.071 1.00 0.00 H new ATOM 0 HD12 ILE A 68 14.245 -10.688 6.787 1.00 0.00 H new ATOM 0 HD13 ILE A 68 13.233 -9.423 6.050 1.00 0.00 H new ATOM 1048 N TYR A 69 17.710 -7.157 8.588 1.00 0.00 N ATOM 1049 CA TYR A 69 18.040 -6.202 9.673 1.00 0.01 C ATOM 1050 C TYR A 69 19.254 -5.363 9.267 1.00 0.00 C ATOM 1051 O TYR A 69 19.288 -4.164 9.451 1.00 0.01 O ATOM 1052 CB TYR A 69 18.372 -6.989 10.940 1.00 0.01 C ATOM 1053 CG TYR A 69 18.694 -6.043 12.073 1.00 0.01 C ATOM 1054 CD1 TYR A 69 19.999 -5.564 12.239 1.00 0.01 C ATOM 1055 CD2 TYR A 69 17.691 -5.666 12.974 1.00 0.00 C ATOM 1056 CE1 TYR A 69 20.301 -4.705 13.305 1.00 0.01 C ATOM 1057 CE2 TYR A 69 17.992 -4.807 14.039 1.00 0.01 C ATOM 1058 CZ TYR A 69 19.295 -4.328 14.205 1.00 0.01 C ATOM 1059 OH TYR A 69 19.591 -3.483 15.256 1.00 0.01 O ATOM 0 H TYR A 69 17.749 -8.140 8.856 1.00 0.00 H new ATOM 0 HA TYR A 69 17.191 -5.543 9.854 1.00 0.01 H new ATOM 0 HB2 TYR A 69 17.529 -7.623 11.214 1.00 0.01 H new ATOM 0 HB3 TYR A 69 19.220 -7.649 10.755 1.00 0.01 H new ATOM 0 HD1 TYR A 69 20.774 -5.856 11.545 1.00 0.01 H new ATOM 0 HD2 TYR A 69 16.685 -6.038 12.848 1.00 0.00 H new ATOM 0 HE1 TYR A 69 21.307 -4.334 13.432 1.00 0.01 H new ATOM 0 HE2 TYR A 69 17.217 -4.515 14.732 1.00 0.01 H new ATOM 0 HH TYR A 69 18.799 -2.951 15.481 1.00 0.01 H new ATOM 1069 N ASN A 70 20.261 -5.993 8.732 1.00 0.01 N ATOM 1070 CA ASN A 70 21.483 -5.244 8.335 1.00 0.00 C ATOM 1071 C ASN A 70 21.164 -4.223 7.237 1.00 0.00 C ATOM 1072 O ASN A 70 21.682 -3.126 7.233 1.00 0.01 O ATOM 1073 CB ASN A 70 22.532 -6.230 7.820 1.00 0.00 C ATOM 1074 CG ASN A 70 23.056 -7.065 8.992 1.00 0.01 C ATOM 1075 OD1 ASN A 70 22.971 -6.651 10.130 1.00 0.01 O ATOM 1076 ND2 ASN A 70 23.598 -8.228 8.759 1.00 0.01 N ATOM 0 H ASN A 70 20.290 -6.997 8.552 1.00 0.01 H new ATOM 0 HA ASN A 70 21.864 -4.710 9.206 1.00 0.00 H new ATOM 0 HB2 ASN A 70 22.096 -6.880 7.061 1.00 0.00 H new ATOM 0 HB3 ASN A 70 23.353 -5.692 7.346 1.00 0.00 H new ATOM 0 HD21 ASN A 70 23.951 -8.791 9.533 1.00 0.01 H new ATOM 0 HD22 ASN A 70 23.669 -8.575 7.803 1.00 0.01 H new ATOM 1083 N GLU A 71 20.338 -4.572 6.291 1.00 0.00 N ATOM 1084 CA GLU A 71 20.015 -3.617 5.191 1.00 0.00 C ATOM 1085 C GLU A 71 18.847 -2.693 5.561 1.00 0.00 C ATOM 1086 O GLU A 71 18.903 -1.505 5.341 1.00 0.00 O ATOM 1087 CB GLU A 71 19.641 -4.411 3.942 1.00 0.00 C ATOM 1088 CG GLU A 71 20.884 -5.102 3.384 1.00 0.00 C ATOM 1089 CD GLU A 71 20.485 -5.972 2.192 1.00 0.00 C ATOM 1090 OE1 GLU A 71 19.299 -6.070 1.925 1.00 0.00 O ATOM 1091 OE2 GLU A 71 21.374 -6.524 1.564 1.00 0.00 O ATOM 0 H GLU A 71 19.872 -5.477 6.231 1.00 0.00 H new ATOM 0 HA GLU A 71 20.893 -2.996 5.013 1.00 0.00 H new ATOM 0 HB2 GLU A 71 18.879 -5.151 4.184 1.00 0.00 H new ATOM 0 HB3 GLU A 71 19.213 -3.747 3.191 1.00 0.00 H new ATOM 0 HG2 GLU A 71 21.620 -4.359 3.077 1.00 0.00 H new ATOM 0 HG3 GLU A 71 21.351 -5.714 4.155 1.00 0.00 H new ATOM 1098 N PHE A 72 17.767 -3.235 6.060 1.00 0.00 N ATOM 1099 CA PHE A 72 16.569 -2.387 6.375 1.00 0.00 C ATOM 1100 C PHE A 72 16.616 -1.738 7.772 1.00 0.00 C ATOM 1101 O PHE A 72 16.085 -0.662 7.964 1.00 0.00 O ATOM 1102 CB PHE A 72 15.314 -3.267 6.281 1.00 0.00 C ATOM 1103 CG PHE A 72 15.003 -3.561 4.830 1.00 0.00 C ATOM 1104 CD1 PHE A 72 15.618 -4.640 4.183 1.00 0.00 C ATOM 1105 CD2 PHE A 72 14.103 -2.747 4.134 1.00 0.00 C ATOM 1106 CE1 PHE A 72 15.329 -4.904 2.838 1.00 0.00 C ATOM 1107 CE2 PHE A 72 13.813 -3.012 2.790 1.00 0.00 C ATOM 1108 CZ PHE A 72 14.427 -4.091 2.142 1.00 0.00 C ATOM 0 H PHE A 72 17.659 -4.228 6.265 1.00 0.00 H new ATOM 0 HA PHE A 72 16.556 -1.571 5.652 1.00 0.00 H new ATOM 0 HB2 PHE A 72 15.470 -4.198 6.825 1.00 0.00 H new ATOM 0 HB3 PHE A 72 14.469 -2.762 6.749 1.00 0.00 H new ATOM 0 HD1 PHE A 72 16.314 -5.267 4.720 1.00 0.00 H new ATOM 0 HD2 PHE A 72 13.632 -1.914 4.634 1.00 0.00 H new ATOM 0 HE1 PHE A 72 15.803 -5.736 2.338 1.00 0.00 H new ATOM 0 HE2 PHE A 72 13.116 -2.385 2.254 1.00 0.00 H new ATOM 0 HZ PHE A 72 14.205 -4.296 1.105 1.00 0.00 H new ATOM 1118 N ILE A 73 17.179 -2.388 8.760 1.00 0.00 N ATOM 1119 CA ILE A 73 17.168 -1.800 10.149 1.00 0.00 C ATOM 1120 C ILE A 73 18.496 -1.133 10.521 1.00 0.00 C ATOM 1121 O ILE A 73 18.573 -0.425 11.507 1.00 0.01 O ATOM 1122 CB ILE A 73 16.905 -2.929 11.145 1.00 0.00 C ATOM 1123 CG1 ILE A 73 15.548 -3.589 10.819 1.00 0.00 C ATOM 1124 CG2 ILE A 73 16.913 -2.375 12.582 1.00 0.00 C ATOM 1125 CD1 ILE A 73 14.404 -2.582 10.930 1.00 0.00 C ATOM 0 H ILE A 73 17.643 -3.292 8.674 1.00 0.00 H new ATOM 0 HA ILE A 73 16.393 -1.034 10.178 1.00 0.00 H new ATOM 0 HB ILE A 73 17.691 -3.680 11.066 1.00 0.00 H new ATOM 0 HG12 ILE A 73 15.575 -4.004 9.811 1.00 0.00 H new ATOM 0 HG13 ILE A 73 15.372 -4.421 11.501 1.00 0.00 H new ATOM 0 HG21 ILE A 73 16.725 -3.186 13.286 1.00 0.00 H new ATOM 0 HG22 ILE A 73 17.884 -1.928 12.794 1.00 0.00 H new ATOM 0 HG23 ILE A 73 16.135 -1.618 12.684 1.00 0.00 H new ATOM 0 HD11 ILE A 73 13.461 -3.075 10.695 1.00 0.00 H new ATOM 0 HD12 ILE A 73 14.364 -2.187 11.945 1.00 0.00 H new ATOM 0 HD13 ILE A 73 14.570 -1.764 10.229 1.00 0.00 H new ATOM 1137 N SER A 74 19.542 -1.346 9.783 1.00 0.01 N ATOM 1138 CA SER A 74 20.835 -0.710 10.170 1.00 0.00 C ATOM 1139 C SER A 74 20.687 0.811 10.195 1.00 0.00 C ATOM 1140 O SER A 74 20.137 1.408 9.293 1.00 0.01 O ATOM 1141 CB SER A 74 21.924 -1.094 9.173 1.00 0.00 C ATOM 1142 OG SER A 74 22.294 -2.447 9.389 1.00 0.01 O ATOM 0 H SER A 74 19.565 -1.922 8.941 1.00 0.01 H new ATOM 0 HA SER A 74 21.112 -1.062 11.164 1.00 0.00 H new ATOM 0 HB2 SER A 74 21.564 -0.961 8.153 1.00 0.00 H new ATOM 0 HB3 SER A 74 22.790 -0.443 9.293 1.00 0.00 H new ATOM 0 HG SER A 74 22.626 -2.833 8.552 1.00 0.01 H new ATOM 1148 N VAL A 75 21.194 1.445 11.216 1.00 0.01 N ATOM 1149 CA VAL A 75 21.102 2.928 11.286 1.00 0.01 C ATOM 1150 C VAL A 75 21.814 3.511 10.062 1.00 0.00 C ATOM 1151 O VAL A 75 21.594 4.640 9.677 1.00 0.00 O ATOM 1152 CB VAL A 75 21.767 3.423 12.576 1.00 0.00 C ATOM 1153 CG1 VAL A 75 20.825 3.181 13.762 1.00 0.01 C ATOM 1154 CG2 VAL A 75 23.076 2.656 12.804 1.00 0.00 C ATOM 0 H VAL A 75 21.667 1.000 12.003 1.00 0.01 H new ATOM 0 HA VAL A 75 20.060 3.246 11.292 1.00 0.01 H new ATOM 0 HB VAL A 75 21.979 4.489 12.488 1.00 0.00 H new ATOM 0 HG11 VAL A 75 21.297 3.533 14.679 1.00 0.01 H new ATOM 0 HG12 VAL A 75 19.893 3.723 13.603 1.00 0.01 H new ATOM 0 HG13 VAL A 75 20.615 2.115 13.848 1.00 0.01 H new ATOM 0 HG21 VAL A 75 23.549 3.008 13.721 1.00 0.00 H new ATOM 0 HG22 VAL A 75 22.863 1.591 12.891 1.00 0.00 H new ATOM 0 HG23 VAL A 75 23.748 2.824 11.962 1.00 0.00 H new ATOM 1164 N GLN A 76 22.659 2.727 9.441 1.00 0.01 N ATOM 1165 CA GLN A 76 23.390 3.193 8.220 1.00 0.01 C ATOM 1166 C GLN A 76 22.695 2.619 6.987 1.00 0.01 C ATOM 1167 O GLN A 76 23.139 2.787 5.868 1.00 0.01 O ATOM 1168 CB GLN A 76 24.830 2.686 8.264 1.00 0.00 C ATOM 1169 CG GLN A 76 25.601 3.427 9.358 1.00 0.01 C ATOM 1170 CD GLN A 76 27.041 2.918 9.401 1.00 0.01 C ATOM 1171 OE1 GLN A 76 27.882 3.494 10.066 1.00 0.01 O ATOM 1172 NE2 GLN A 76 27.365 1.854 8.721 1.00 0.01 N ATOM 0 H GLN A 76 22.877 1.773 9.730 1.00 0.01 H new ATOM 0 HA GLN A 76 23.390 4.282 8.181 1.00 0.01 H new ATOM 0 HB2 GLN A 76 24.843 1.614 8.458 1.00 0.00 H new ATOM 0 HB3 GLN A 76 25.310 2.841 7.298 1.00 0.00 H new ATOM 0 HG2 GLN A 76 25.589 4.499 9.163 1.00 0.01 H new ATOM 0 HG3 GLN A 76 25.121 3.273 10.324 1.00 0.01 H new ATOM 0 HE21 GLN A 76 26.661 1.371 8.164 1.00 0.01 H new ATOM 0 HE22 GLN A 76 28.323 1.505 8.746 1.00 0.01 H new ATOM 1181 N ALA A 77 21.608 1.935 7.192 1.00 0.01 N ATOM 1182 CA ALA A 77 20.867 1.331 6.053 1.00 0.00 C ATOM 1183 C ALA A 77 20.694 2.359 4.935 1.00 0.01 C ATOM 1184 O ALA A 77 20.342 3.498 5.173 1.00 0.00 O ATOM 1185 CB ALA A 77 19.489 0.883 6.539 1.00 0.00 C ATOM 0 H ALA A 77 21.196 1.766 8.110 1.00 0.01 H new ATOM 0 HA ALA A 77 21.428 0.478 5.670 1.00 0.00 H new ATOM 0 HB1 ALA A 77 18.938 0.439 5.710 1.00 0.00 H new ATOM 0 HB2 ALA A 77 19.605 0.146 7.334 1.00 0.00 H new ATOM 0 HB3 ALA A 77 18.940 1.744 6.920 1.00 0.00 H new ATOM 1191 N THR A 78 20.921 1.959 3.717 1.00 0.01 N ATOM 1192 CA THR A 78 20.748 2.904 2.583 1.00 0.01 C ATOM 1193 C THR A 78 19.253 3.148 2.387 1.00 0.01 C ATOM 1194 O THR A 78 18.843 4.091 1.741 1.00 0.00 O ATOM 1195 CB THR A 78 21.335 2.288 1.311 1.00 0.00 C ATOM 1196 OG1 THR A 78 20.605 1.117 0.974 1.00 0.01 O ATOM 1197 CG2 THR A 78 22.800 1.924 1.548 1.00 0.01 C ATOM 0 H THR A 78 21.219 1.018 3.458 1.00 0.01 H new ATOM 0 HA THR A 78 21.260 3.843 2.793 1.00 0.01 H new ATOM 0 HB THR A 78 21.268 3.007 0.495 1.00 0.00 H new ATOM 0 HG1 THR A 78 20.978 0.722 0.159 1.00 0.01 H new ATOM 0 HG21 THR A 78 23.217 1.485 0.642 1.00 0.01 H new ATOM 0 HG22 THR A 78 23.361 2.822 1.808 1.00 0.01 H new ATOM 0 HG23 THR A 78 22.869 1.205 2.364 1.00 0.01 H new ATOM 1205 N LYS A 79 18.439 2.285 2.944 1.00 0.00 N ATOM 1206 CA LYS A 79 16.955 2.419 2.810 1.00 0.00 C ATOM 1207 C LYS A 79 16.300 2.309 4.192 1.00 0.00 C ATOM 1208 O LYS A 79 15.552 1.391 4.467 1.00 0.00 O ATOM 1209 CB LYS A 79 16.428 1.309 1.891 1.00 0.00 C ATOM 1210 CG LYS A 79 17.024 -0.044 2.299 1.00 0.00 C ATOM 1211 CD LYS A 79 16.605 -1.109 1.282 1.00 0.01 C ATOM 1212 CE LYS A 79 17.241 -2.452 1.651 1.00 0.00 C ATOM 1213 NZ LYS A 79 17.119 -2.674 3.117 1.00 0.00 N ATOM 0 H LYS A 79 18.745 1.482 3.494 1.00 0.00 H new ATOM 0 HA LYS A 79 16.712 3.390 2.380 1.00 0.00 H new ATOM 0 HB2 LYS A 79 15.340 1.267 1.946 1.00 0.00 H new ATOM 0 HB3 LYS A 79 16.686 1.531 0.856 1.00 0.00 H new ATOM 0 HG2 LYS A 79 18.111 0.024 2.345 1.00 0.00 H new ATOM 0 HG3 LYS A 79 16.679 -0.321 3.295 1.00 0.00 H new ATOM 0 HD2 LYS A 79 15.519 -1.202 1.265 1.00 0.01 H new ATOM 0 HD3 LYS A 79 16.915 -0.811 0.280 1.00 0.01 H new ATOM 0 HE2 LYS A 79 16.750 -3.260 1.108 1.00 0.00 H new ATOM 0 HE3 LYS A 79 18.291 -2.462 1.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 17.229 -3.687 3.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 17.859 -2.137 3.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 16.184 -2.354 3.440 1.00 0.00 H new ATOM 1227 N GLU A 80 16.576 3.248 5.058 1.00 0.00 N ATOM 1228 CA GLU A 80 15.975 3.223 6.424 1.00 0.00 C ATOM 1229 C GLU A 80 14.458 3.359 6.324 1.00 0.00 C ATOM 1230 O GLU A 80 13.944 4.034 5.455 1.00 0.00 O ATOM 1231 CB GLU A 80 16.512 4.401 7.238 1.00 0.00 C ATOM 1232 CG GLU A 80 17.983 4.182 7.581 1.00 0.00 C ATOM 1233 CD GLU A 80 18.560 5.469 8.170 1.00 0.01 C ATOM 1234 OE1 GLU A 80 17.826 6.440 8.253 1.00 0.01 O ATOM 1235 OE2 GLU A 80 19.726 5.466 8.521 1.00 0.00 O ATOM 0 H GLU A 80 17.197 4.037 4.876 1.00 0.00 H new ATOM 0 HA GLU A 80 16.233 2.280 6.906 1.00 0.00 H new ATOM 0 HB2 GLU A 80 16.397 5.325 6.672 1.00 0.00 H new ATOM 0 HB3 GLU A 80 15.931 4.514 8.153 1.00 0.00 H new ATOM 0 HG2 GLU A 80 18.084 3.364 8.295 1.00 0.00 H new ATOM 0 HG3 GLU A 80 18.538 3.896 6.688 1.00 0.00 H new ATOM 1242 N VAL A 81 13.739 2.736 7.222 1.00 0.00 N ATOM 1243 CA VAL A 81 12.248 2.832 7.211 1.00 0.00 C ATOM 1244 C VAL A 81 11.809 3.747 8.357 1.00 0.00 C ATOM 1245 O VAL A 81 12.340 3.686 9.449 1.00 0.00 O ATOM 1246 CB VAL A 81 11.646 1.429 7.388 1.00 0.00 C ATOM 1247 CG1 VAL A 81 11.658 0.684 6.049 1.00 0.00 C ATOM 1248 CG2 VAL A 81 12.479 0.636 8.398 1.00 0.00 C ATOM 0 H VAL A 81 14.125 2.159 7.970 1.00 0.00 H new ATOM 0 HA VAL A 81 11.901 3.245 6.264 1.00 0.00 H new ATOM 0 HB VAL A 81 10.621 1.528 7.745 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.230 -0.310 6.182 1.00 0.00 H new ATOM 0 HG12 VAL A 81 11.069 1.239 5.319 1.00 0.00 H new ATOM 0 HG13 VAL A 81 12.684 0.592 5.693 1.00 0.00 H new ATOM 0 HG21 VAL A 81 12.050 -0.358 8.522 1.00 0.00 H new ATOM 0 HG22 VAL A 81 13.503 0.547 8.035 1.00 0.00 H new ATOM 0 HG23 VAL A 81 12.478 1.154 9.357 1.00 0.00 H new ATOM 1258 N ASN A 82 10.858 4.611 8.114 1.00 0.00 N ATOM 1259 CA ASN A 82 10.408 5.543 9.186 1.00 0.00 C ATOM 1260 C ASN A 82 9.614 4.770 10.233 1.00 0.00 C ATOM 1261 O ASN A 82 8.473 4.406 10.028 1.00 0.00 O ATOM 1262 CB ASN A 82 9.534 6.641 8.578 1.00 0.00 C ATOM 1263 CG ASN A 82 8.310 6.015 7.904 1.00 0.00 C ATOM 1264 OD1 ASN A 82 8.256 4.817 7.707 1.00 0.00 O ATOM 1265 ND2 ASN A 82 7.322 6.782 7.533 1.00 0.00 N ATOM 0 H ASN A 82 10.375 4.710 7.221 1.00 0.00 H new ATOM 0 HA ASN A 82 11.277 5.999 9.659 1.00 0.00 H new ATOM 0 HB2 ASN A 82 9.217 7.338 9.354 1.00 0.00 H new ATOM 0 HB3 ASN A 82 10.108 7.214 7.850 1.00 0.00 H new ATOM 0 HD21 ASN A 82 6.504 6.376 7.078 1.00 0.00 H new ATOM 0 HD22 ASN A 82 7.367 7.788 7.698 1.00 0.00 H new ATOM 1272 N LEU A 83 10.226 4.514 11.359 1.00 0.00 N ATOM 1273 CA LEU A 83 9.547 3.755 12.446 1.00 0.00 C ATOM 1274 C LEU A 83 10.016 4.299 13.798 1.00 0.00 C ATOM 1275 O LEU A 83 10.968 5.050 13.878 1.00 0.00 O ATOM 1276 CB LEU A 83 9.912 2.270 12.327 1.00 0.01 C ATOM 1277 CG LEU A 83 9.137 1.625 11.160 1.00 0.00 C ATOM 1278 CD1 LEU A 83 9.693 0.228 10.896 1.00 0.00 C ATOM 1279 CD2 LEU A 83 7.636 1.523 11.501 1.00 0.00 C ATOM 0 H LEU A 83 11.180 4.803 11.573 1.00 0.00 H new ATOM 0 HA LEU A 83 8.466 3.867 12.364 1.00 0.00 H new ATOM 0 HB2 LEU A 83 10.985 2.163 12.164 1.00 0.01 H new ATOM 0 HB3 LEU A 83 9.678 1.754 13.258 1.00 0.01 H new ATOM 0 HG LEU A 83 9.254 2.246 10.272 1.00 0.00 H new ATOM 0 HD11 LEU A 83 9.147 -0.231 10.072 1.00 0.00 H new ATOM 0 HD12 LEU A 83 10.749 0.300 10.637 1.00 0.00 H new ATOM 0 HD13 LEU A 83 9.580 -0.384 11.791 1.00 0.00 H new ATOM 0 HD21 LEU A 83 7.104 1.066 10.667 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.506 0.911 12.394 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.236 2.520 11.684 1.00 0.00 H new ATOM 1291 N ASP A 84 9.349 3.937 14.859 1.00 0.01 N ATOM 1292 CA ASP A 84 9.751 4.446 16.201 1.00 0.00 C ATOM 1293 C ASP A 84 11.080 3.814 16.619 1.00 0.00 C ATOM 1294 O ASP A 84 11.445 2.749 16.167 1.00 0.00 O ATOM 1295 CB ASP A 84 8.666 4.095 17.222 1.00 0.00 C ATOM 1296 CG ASP A 84 7.439 4.981 16.990 1.00 0.01 C ATOM 1297 OD1 ASP A 84 7.608 6.070 16.468 1.00 0.00 O ATOM 1298 OD2 ASP A 84 6.352 4.558 17.345 1.00 0.01 O ATOM 0 H ASP A 84 8.544 3.311 14.855 1.00 0.01 H new ATOM 0 HA ASP A 84 9.872 5.528 16.157 1.00 0.00 H new ATOM 0 HB2 ASP A 84 8.391 3.044 17.130 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.045 4.238 18.234 1.00 0.00 H new ATOM 1303 N SER A 85 11.811 4.479 17.472 1.00 0.00 N ATOM 1304 CA SER A 85 13.130 3.944 17.922 1.00 0.01 C ATOM 1305 C SER A 85 12.929 2.711 18.803 1.00 0.01 C ATOM 1306 O SER A 85 13.846 1.946 19.030 1.00 0.00 O ATOM 1307 CB SER A 85 13.860 5.016 18.729 1.00 0.01 C ATOM 1308 OG SER A 85 13.222 5.160 19.990 1.00 0.00 O ATOM 0 H SER A 85 11.550 5.377 17.880 1.00 0.00 H new ATOM 0 HA SER A 85 13.716 3.667 17.046 1.00 0.01 H new ATOM 0 HB2 SER A 85 14.905 4.738 18.865 1.00 0.01 H new ATOM 0 HB3 SER A 85 13.850 5.964 18.191 1.00 0.01 H new ATOM 0 HG SER A 85 13.686 5.845 20.515 1.00 0.00 H new ATOM 1314 N CYS A 86 11.746 2.513 19.313 1.00 0.01 N ATOM 1315 CA CYS A 86 11.507 1.331 20.190 1.00 0.01 C ATOM 1316 C CYS A 86 11.281 0.092 19.325 1.00 0.00 C ATOM 1317 O CYS A 86 11.764 -0.981 19.623 1.00 0.01 O ATOM 1318 CB CYS A 86 10.270 1.583 21.053 1.00 0.01 C ATOM 1319 SG CYS A 86 8.806 1.697 19.994 1.00 0.01 S ATOM 0 H CYS A 86 10.937 3.115 19.162 1.00 0.01 H new ATOM 0 HA CYS A 86 12.374 1.172 20.832 1.00 0.01 H new ATOM 0 HB2 CYS A 86 10.147 0.776 21.775 1.00 0.01 H new ATOM 0 HB3 CYS A 86 10.392 2.504 21.622 1.00 0.01 H new ATOM 0 HG CYS A 86 7.755 1.909 20.729 1.00 0.01 H new ATOM 1325 N THR A 87 10.556 0.233 18.255 1.00 0.00 N ATOM 1326 CA THR A 87 10.307 -0.937 17.371 1.00 0.00 C ATOM 1327 C THR A 87 11.649 -1.464 16.852 1.00 0.00 C ATOM 1328 O THR A 87 11.868 -2.655 16.755 1.00 0.01 O ATOM 1329 CB THR A 87 9.426 -0.505 16.196 1.00 0.00 C ATOM 1330 OG1 THR A 87 8.193 -0.011 16.698 1.00 0.00 O ATOM 1331 CG2 THR A 87 9.157 -1.703 15.286 1.00 0.00 C ATOM 0 H THR A 87 10.125 1.107 17.953 1.00 0.00 H new ATOM 0 HA THR A 87 9.799 -1.725 17.927 1.00 0.00 H new ATOM 0 HB THR A 87 9.934 0.273 15.626 1.00 0.00 H new ATOM 0 HG1 THR A 87 7.624 0.269 15.951 1.00 0.00 H new ATOM 0 HG21 THR A 87 8.530 -1.392 14.451 1.00 0.00 H new ATOM 0 HG22 THR A 87 10.102 -2.090 14.905 1.00 0.00 H new ATOM 0 HG23 THR A 87 8.647 -2.483 15.852 1.00 0.00 H new ATOM 1339 N ARG A 88 12.545 -0.576 16.516 1.00 0.01 N ATOM 1340 CA ARG A 88 13.880 -1.002 15.998 1.00 0.00 C ATOM 1341 C ARG A 88 14.614 -1.792 17.077 1.00 0.00 C ATOM 1342 O ARG A 88 15.108 -2.876 16.836 1.00 0.01 O ATOM 1343 CB ARG A 88 14.696 0.238 15.625 1.00 0.00 C ATOM 1344 CG ARG A 88 13.880 1.129 14.682 1.00 0.00 C ATOM 1345 CD ARG A 88 13.771 0.490 13.295 1.00 0.00 C ATOM 1346 NE ARG A 88 12.711 -0.559 13.308 1.00 0.01 N ATOM 1347 CZ ARG A 88 12.269 -1.043 12.185 1.00 0.00 C ATOM 1348 NH1 ARG A 88 12.708 -0.559 11.057 1.00 0.00 N ATOM 1349 NH2 ARG A 88 11.394 -2.012 12.188 1.00 0.01 N ATOM 0 H ARG A 88 12.410 0.433 16.578 1.00 0.01 H new ATOM 0 HA ARG A 88 13.749 -1.630 15.117 1.00 0.00 H new ATOM 0 HB2 ARG A 88 14.964 0.793 16.524 1.00 0.00 H new ATOM 0 HB3 ARG A 88 15.628 -0.059 15.144 1.00 0.00 H new ATOM 0 HG2 ARG A 88 12.884 1.287 15.094 1.00 0.00 H new ATOM 0 HG3 ARG A 88 14.351 2.109 14.601 1.00 0.00 H new ATOM 0 HD2 ARG A 88 13.535 1.251 12.551 1.00 0.00 H new ATOM 0 HD3 ARG A 88 14.727 0.051 13.010 1.00 0.00 H new ATOM 0 HE ARG A 88 12.334 -0.895 14.194 1.00 0.01 H new ATOM 0 HH11 ARG A 88 13.395 0.195 11.058 1.00 0.00 H new ATOM 0 HH12 ARG A 88 12.365 -0.935 10.173 1.00 0.00 H new ATOM 0 HH21 ARG A 88 11.056 -2.391 13.073 1.00 0.01 H new ATOM 0 HH22 ARG A 88 11.049 -2.390 11.306 1.00 0.01 H new ATOM 1363 N GLU A 89 14.683 -1.267 18.269 1.00 0.01 N ATOM 1364 CA GLU A 89 15.372 -2.010 19.355 1.00 0.01 C ATOM 1365 C GLU A 89 14.653 -3.338 19.544 1.00 0.01 C ATOM 1366 O GLU A 89 15.263 -4.378 19.692 1.00 0.00 O ATOM 1367 CB GLU A 89 15.307 -1.201 20.652 1.00 0.01 C ATOM 1368 CG GLU A 89 16.201 0.033 20.530 1.00 0.01 C ATOM 1369 CD GLU A 89 16.129 0.844 21.825 1.00 0.01 C ATOM 1370 OE1 GLU A 89 15.281 0.535 22.646 1.00 0.01 O ATOM 1371 OE2 GLU A 89 16.920 1.761 21.971 1.00 0.01 O ATOM 0 H GLU A 89 14.294 -0.362 18.535 1.00 0.01 H new ATOM 0 HA GLU A 89 16.418 -2.177 19.098 1.00 0.01 H new ATOM 0 HB2 GLU A 89 14.279 -0.900 20.854 1.00 0.01 H new ATOM 0 HB3 GLU A 89 15.630 -1.815 21.493 1.00 0.01 H new ATOM 0 HG2 GLU A 89 17.230 -0.268 20.333 1.00 0.01 H new ATOM 0 HG3 GLU A 89 15.881 0.645 19.687 1.00 0.01 H new ATOM 1378 N GLU A 90 13.352 -3.307 19.528 1.00 0.00 N ATOM 1379 CA GLU A 90 12.579 -4.562 19.687 1.00 0.01 C ATOM 1380 C GLU A 90 12.945 -5.519 18.551 1.00 0.01 C ATOM 1381 O GLU A 90 13.098 -6.706 18.755 1.00 0.01 O ATOM 1382 CB GLU A 90 11.080 -4.255 19.636 1.00 0.01 C ATOM 1383 CG GLU A 90 10.287 -5.529 19.933 1.00 0.00 C ATOM 1384 CD GLU A 90 8.804 -5.183 20.086 1.00 0.01 C ATOM 1385 OE1 GLU A 90 8.474 -4.015 19.961 1.00 0.01 O ATOM 1386 OE2 GLU A 90 8.025 -6.090 20.322 1.00 0.00 O ATOM 0 H GLU A 90 12.791 -2.463 19.411 1.00 0.00 H new ATOM 0 HA GLU A 90 12.816 -5.020 20.647 1.00 0.01 H new ATOM 0 HB2 GLU A 90 10.832 -3.482 20.363 1.00 0.01 H new ATOM 0 HB3 GLU A 90 10.811 -3.867 18.654 1.00 0.01 H new ATOM 0 HG2 GLU A 90 10.422 -6.250 19.127 1.00 0.00 H new ATOM 0 HG3 GLU A 90 10.658 -5.997 20.845 1.00 0.00 H new ATOM 1393 N THR A 91 13.088 -5.014 17.348 1.00 0.01 N ATOM 1394 CA THR A 91 13.442 -5.910 16.214 1.00 0.01 C ATOM 1395 C THR A 91 14.824 -6.513 16.466 1.00 0.01 C ATOM 1396 O THR A 91 15.050 -7.684 16.247 1.00 0.01 O ATOM 1397 CB THR A 91 13.460 -5.110 14.909 1.00 0.01 C ATOM 1398 OG1 THR A 91 12.212 -4.449 14.748 1.00 0.00 O ATOM 1399 CG2 THR A 91 13.682 -6.057 13.729 1.00 0.01 C ATOM 0 H THR A 91 12.975 -4.029 17.109 1.00 0.01 H new ATOM 0 HA THR A 91 12.703 -6.707 16.133 1.00 0.01 H new ATOM 0 HB THR A 91 14.266 -4.377 14.944 1.00 0.01 H new ATOM 0 HG1 THR A 91 12.137 -3.727 15.406 1.00 0.00 H new ATOM 0 HG21 THR A 91 13.694 -5.485 12.801 1.00 0.01 H new ATOM 0 HG22 THR A 91 14.635 -6.573 13.850 1.00 0.01 H new ATOM 0 HG23 THR A 91 12.875 -6.789 13.693 1.00 0.01 H new ATOM 1407 N SER A 92 15.747 -5.725 16.939 1.00 0.01 N ATOM 1408 CA SER A 92 17.104 -6.267 17.219 1.00 0.01 C ATOM 1409 C SER A 92 16.980 -7.381 18.259 1.00 0.01 C ATOM 1410 O SER A 92 17.641 -8.397 18.185 1.00 0.00 O ATOM 1411 CB SER A 92 18.006 -5.156 17.755 1.00 0.01 C ATOM 1412 OG SER A 92 17.493 -4.687 18.995 1.00 0.01 O ATOM 0 H SER A 92 15.622 -4.734 17.143 1.00 0.01 H new ATOM 0 HA SER A 92 17.542 -6.662 16.302 1.00 0.01 H new ATOM 0 HB2 SER A 92 19.022 -5.529 17.887 1.00 0.01 H new ATOM 0 HB3 SER A 92 18.058 -4.337 17.038 1.00 0.01 H new ATOM 0 HG SER A 92 16.517 -4.615 18.939 1.00 0.01 H new ATOM 1418 N ARG A 93 16.129 -7.188 19.229 1.00 0.01 N ATOM 1419 CA ARG A 93 15.938 -8.217 20.290 1.00 0.01 C ATOM 1420 C ARG A 93 15.331 -9.478 19.673 1.00 0.01 C ATOM 1421 O ARG A 93 15.565 -10.578 20.132 1.00 0.01 O ATOM 1422 CB ARG A 93 14.984 -7.668 21.357 1.00 0.00 C ATOM 1423 CG ARG A 93 15.653 -6.529 22.147 1.00 0.01 C ATOM 1424 CD ARG A 93 16.514 -7.095 23.285 1.00 0.01 C ATOM 1425 NE ARG A 93 15.628 -7.512 24.405 1.00 0.00 N ATOM 1426 CZ ARG A 93 16.095 -8.267 25.360 1.00 0.01 C ATOM 1427 NH1 ARG A 93 17.337 -8.667 25.329 1.00 0.00 N ATOM 1428 NH2 ARG A 93 15.318 -8.626 26.344 1.00 0.01 N ATOM 0 H ARG A 93 15.552 -6.353 19.333 1.00 0.01 H new ATOM 0 HA ARG A 93 16.900 -8.459 20.743 1.00 0.01 H new ATOM 0 HB2 ARG A 93 14.072 -7.303 20.884 1.00 0.00 H new ATOM 0 HB3 ARG A 93 14.692 -8.468 22.038 1.00 0.00 H new ATOM 0 HG2 ARG A 93 16.272 -5.930 21.479 1.00 0.01 H new ATOM 0 HG3 ARG A 93 14.891 -5.866 22.556 1.00 0.01 H new ATOM 0 HD2 ARG A 93 17.096 -7.945 22.929 1.00 0.01 H new ATOM 0 HD3 ARG A 93 17.225 -6.343 23.628 1.00 0.01 H new ATOM 0 HE ARG A 93 14.655 -7.207 24.426 1.00 0.00 H new ATOM 0 HH11 ARG A 93 17.943 -8.389 24.557 1.00 0.00 H new ATOM 0 HH12 ARG A 93 17.701 -9.258 26.077 1.00 0.00 H new ATOM 0 HH21 ARG A 93 14.346 -8.316 26.366 1.00 0.01 H new ATOM 0 HH22 ARG A 93 15.682 -9.217 27.092 1.00 0.01 H new ATOM 1442 N ASN A 94 14.545 -9.331 18.641 1.00 0.01 N ATOM 1443 CA ASN A 94 13.920 -10.529 18.013 1.00 0.01 C ATOM 1444 C ASN A 94 15.022 -11.480 17.541 1.00 0.01 C ATOM 1445 O ASN A 94 14.812 -12.672 17.427 1.00 0.01 O ATOM 1446 CB ASN A 94 13.054 -10.105 16.824 1.00 0.01 C ATOM 1447 CG ASN A 94 11.898 -9.227 17.315 1.00 0.01 C ATOM 1448 OD1 ASN A 94 11.280 -8.526 16.540 1.00 0.00 O ATOM 1449 ND2 ASN A 94 11.577 -9.236 18.580 1.00 0.01 N ATOM 0 H ASN A 94 14.310 -8.438 18.208 1.00 0.01 H new ATOM 0 HA ASN A 94 13.288 -11.035 18.743 1.00 0.01 H new ATOM 0 HB2 ASN A 94 13.657 -9.558 16.099 1.00 0.01 H new ATOM 0 HB3 ASN A 94 12.664 -10.985 16.314 1.00 0.01 H new ATOM 0 HD21 ASN A 94 10.809 -8.655 18.915 1.00 0.01 H new ATOM 0 HD22 ASN A 94 12.095 -9.824 19.233 1.00 0.01 H new ATOM 1456 N MET A 95 16.201 -10.974 17.287 1.00 0.01 N ATOM 1457 CA MET A 95 17.309 -11.874 16.848 1.00 0.01 C ATOM 1458 C MET A 95 17.554 -12.910 17.942 1.00 0.01 C ATOM 1459 O MET A 95 17.827 -14.061 17.673 1.00 0.01 O ATOM 1460 CB MET A 95 18.595 -11.076 16.630 1.00 0.01 C ATOM 1461 CG MET A 95 18.465 -10.196 15.389 1.00 0.01 C ATOM 1462 SD MET A 95 20.085 -9.497 14.987 1.00 0.01 S ATOM 1463 CE MET A 95 19.517 -8.343 13.722 1.00 0.01 C ATOM 0 H MET A 95 16.443 -9.986 17.363 1.00 0.01 H new ATOM 0 HA MET A 95 17.029 -12.355 15.911 1.00 0.01 H new ATOM 0 HB2 MET A 95 18.800 -10.457 17.504 1.00 0.01 H new ATOM 0 HB3 MET A 95 19.439 -11.756 16.516 1.00 0.01 H new ATOM 0 HG2 MET A 95 18.090 -10.782 14.550 1.00 0.01 H new ATOM 0 HG3 MET A 95 17.745 -9.398 15.568 1.00 0.01 H new ATOM 0 HE1 MET A 95 20.219 -8.343 12.888 1.00 0.01 H new ATOM 0 HE2 MET A 95 18.532 -8.648 13.367 1.00 0.01 H new ATOM 0 HE3 MET A 95 19.456 -7.340 14.145 1.00 0.01 H new ATOM 1473 N LEU A 96 17.454 -12.503 19.175 1.00 0.01 N ATOM 1474 CA LEU A 96 17.664 -13.459 20.294 1.00 0.01 C ATOM 1475 C LEU A 96 16.554 -14.508 20.246 1.00 0.01 C ATOM 1476 O LEU A 96 16.765 -15.674 20.515 1.00 0.01 O ATOM 1477 CB LEU A 96 17.602 -12.704 21.620 1.00 0.01 C ATOM 1478 CG LEU A 96 18.708 -11.641 21.663 1.00 0.01 C ATOM 1479 CD1 LEU A 96 18.572 -10.823 22.951 1.00 0.01 C ATOM 1480 CD2 LEU A 96 20.093 -12.318 21.618 1.00 0.01 C ATOM 0 H LEU A 96 17.235 -11.547 19.456 1.00 0.01 H new ATOM 0 HA LEU A 96 18.637 -13.942 20.204 1.00 0.01 H new ATOM 0 HB2 LEU A 96 16.626 -12.232 21.735 1.00 0.01 H new ATOM 0 HB3 LEU A 96 17.720 -13.399 22.451 1.00 0.01 H new ATOM 0 HG LEU A 96 18.610 -10.983 20.800 1.00 0.01 H new ATOM 0 HD11 LEU A 96 19.356 -10.066 22.986 1.00 0.01 H new ATOM 0 HD12 LEU A 96 17.597 -10.336 22.972 1.00 0.01 H new ATOM 0 HD13 LEU A 96 18.666 -11.483 23.813 1.00 0.01 H new ATOM 0 HD21 LEU A 96 20.872 -11.556 21.649 1.00 0.01 H new ATOM 0 HD22 LEU A 96 20.201 -12.982 22.475 1.00 0.01 H new ATOM 0 HD23 LEU A 96 20.186 -12.895 20.698 1.00 0.01 H new ATOM 1492 N GLU A 97 15.366 -14.089 19.900 1.00 0.01 N ATOM 1493 CA GLU A 97 14.210 -15.030 19.817 1.00 0.01 C ATOM 1494 C GLU A 97 13.377 -14.666 18.582 1.00 0.01 C ATOM 1495 O GLU A 97 12.337 -14.049 18.696 1.00 0.01 O ATOM 1496 CB GLU A 97 13.341 -14.872 21.067 1.00 0.01 C ATOM 1497 CG GLU A 97 14.194 -15.081 22.321 1.00 0.01 C ATOM 1498 CD GLU A 97 14.816 -16.479 22.298 1.00 0.01 C ATOM 1499 OE1 GLU A 97 14.096 -17.422 22.010 1.00 0.01 O ATOM 1500 OE2 GLU A 97 16.001 -16.583 22.569 1.00 0.01 O ATOM 0 H GLU A 97 15.144 -13.121 19.668 1.00 0.01 H new ATOM 0 HA GLU A 97 14.566 -16.058 19.746 1.00 0.01 H new ATOM 0 HB2 GLU A 97 12.890 -13.880 21.084 1.00 0.01 H new ATOM 0 HB3 GLU A 97 12.524 -15.594 21.047 1.00 0.01 H new ATOM 0 HG2 GLU A 97 14.978 -14.325 22.369 1.00 0.01 H new ATOM 0 HG3 GLU A 97 13.580 -14.961 23.214 1.00 0.01 H new ATOM 1507 N PRO A 98 13.834 -15.026 17.403 1.00 0.01 N ATOM 1508 CA PRO A 98 13.093 -14.691 16.158 1.00 0.01 C ATOM 1509 C PRO A 98 11.742 -15.415 16.082 1.00 0.01 C ATOM 1510 O PRO A 98 11.664 -16.622 16.198 1.00 0.01 O ATOM 1511 CB PRO A 98 14.065 -15.147 15.046 1.00 0.00 C ATOM 1512 CG PRO A 98 15.350 -15.683 15.714 1.00 0.01 C ATOM 1513 CD PRO A 98 15.102 -15.785 17.230 1.00 0.01 C ATOM 0 HA PRO A 98 12.830 -13.636 16.085 1.00 0.01 H new ATOM 0 HB2 PRO A 98 13.604 -15.922 14.433 1.00 0.00 H new ATOM 0 HB3 PRO A 98 14.301 -14.315 14.383 1.00 0.00 H new ATOM 0 HG2 PRO A 98 15.611 -16.659 15.306 1.00 0.01 H new ATOM 0 HG3 PRO A 98 16.189 -15.018 15.511 1.00 0.01 H new ATOM 0 HD2 PRO A 98 15.002 -16.820 17.556 1.00 0.01 H new ATOM 0 HD3 PRO A 98 15.918 -15.347 17.805 1.00 0.01 H new ATOM 1521 N THR A 99 10.684 -14.674 15.893 1.00 0.01 N ATOM 1522 CA THR A 99 9.320 -15.278 15.806 1.00 0.01 C ATOM 1523 C THR A 99 8.618 -14.725 14.570 1.00 0.01 C ATOM 1524 O THR A 99 9.091 -13.801 13.948 1.00 0.01 O ATOM 1525 CB THR A 99 8.512 -14.904 17.049 1.00 0.00 C ATOM 1526 OG1 THR A 99 8.513 -13.492 17.204 1.00 0.01 O ATOM 1527 CG2 THR A 99 9.132 -15.556 18.285 1.00 0.00 C ATOM 0 H THR A 99 10.706 -13.659 15.793 1.00 0.01 H new ATOM 0 HA THR A 99 9.401 -16.363 15.741 1.00 0.01 H new ATOM 0 HB THR A 99 7.487 -15.258 16.934 1.00 0.00 H new ATOM 0 HG1 THR A 99 7.589 -13.165 17.231 1.00 0.01 H new ATOM 0 HG21 THR A 99 8.553 -15.286 19.168 1.00 0.00 H new ATOM 0 HG22 THR A 99 9.128 -16.639 18.165 1.00 0.00 H new ATOM 0 HG23 THR A 99 10.158 -15.208 18.404 1.00 0.00 H new ATOM 1535 N ILE A 100 7.492 -15.275 14.215 1.00 0.00 N ATOM 1536 CA ILE A 100 6.765 -14.766 13.020 1.00 0.01 C ATOM 1537 C ILE A 100 6.195 -13.382 13.341 1.00 0.01 C ATOM 1538 O ILE A 100 5.845 -12.621 12.461 1.00 0.01 O ATOM 1539 CB ILE A 100 5.633 -15.737 12.656 1.00 0.00 C ATOM 1540 CG1 ILE A 100 5.040 -15.358 11.289 1.00 0.01 C ATOM 1541 CG2 ILE A 100 4.534 -15.678 13.721 1.00 0.01 C ATOM 1542 CD1 ILE A 100 6.069 -15.584 10.169 1.00 0.01 C ATOM 0 H ILE A 100 7.044 -16.053 14.699 1.00 0.00 H new ATOM 0 HA ILE A 100 7.445 -14.689 12.172 1.00 0.01 H new ATOM 0 HB ILE A 100 6.036 -16.748 12.608 1.00 0.00 H new ATOM 0 HG12 ILE A 100 4.148 -15.954 11.096 1.00 0.01 H new ATOM 0 HG13 ILE A 100 4.729 -14.313 11.299 1.00 0.01 H new ATOM 0 HG21 ILE A 100 3.734 -16.369 13.457 1.00 0.01 H new ATOM 0 HG22 ILE A 100 4.950 -15.957 14.689 1.00 0.01 H new ATOM 0 HG23 ILE A 100 4.135 -14.665 13.776 1.00 0.01 H new ATOM 0 HD11 ILE A 100 5.629 -15.310 9.210 1.00 0.01 H new ATOM 0 HD12 ILE A 100 6.949 -14.968 10.354 1.00 0.01 H new ATOM 0 HD13 ILE A 100 6.359 -16.634 10.148 1.00 0.01 H new ATOM 1554 N THR A 101 6.102 -13.047 14.602 1.00 0.00 N ATOM 1555 CA THR A 101 5.553 -11.714 14.987 1.00 0.01 C ATOM 1556 C THR A 101 6.693 -10.690 15.077 1.00 0.01 C ATOM 1557 O THR A 101 6.489 -9.549 15.441 1.00 0.01 O ATOM 1558 CB THR A 101 4.865 -11.820 16.352 1.00 0.01 C ATOM 1559 OG1 THR A 101 5.811 -12.247 17.321 1.00 0.00 O ATOM 1560 CG2 THR A 101 3.716 -12.826 16.275 1.00 0.01 C ATOM 0 H THR A 101 6.383 -13.641 15.382 1.00 0.00 H new ATOM 0 HA THR A 101 4.833 -11.392 14.234 1.00 0.01 H new ATOM 0 HB THR A 101 4.467 -10.846 16.635 1.00 0.01 H new ATOM 0 HG1 THR A 101 5.375 -12.315 18.196 1.00 0.00 H new ATOM 0 HG21 THR A 101 3.230 -12.898 17.248 1.00 0.01 H new ATOM 0 HG22 THR A 101 2.992 -12.495 15.531 1.00 0.01 H new ATOM 0 HG23 THR A 101 4.106 -13.803 15.991 1.00 0.01 H new ATOM 1568 N CYS A 102 7.891 -11.098 14.763 1.00 0.00 N ATOM 1569 CA CYS A 102 9.055 -10.164 14.842 1.00 0.00 C ATOM 1570 C CYS A 102 8.869 -8.966 13.899 1.00 0.01 C ATOM 1571 O CYS A 102 8.941 -7.827 14.314 1.00 0.01 O ATOM 1572 CB CYS A 102 10.330 -10.920 14.451 1.00 0.00 C ATOM 1573 SG CYS A 102 11.682 -9.746 14.169 1.00 0.01 S ATOM 0 H CYS A 102 8.118 -12.043 14.453 1.00 0.00 H new ATOM 0 HA CYS A 102 9.131 -9.790 15.863 1.00 0.00 H new ATOM 0 HB2 CYS A 102 10.604 -11.621 15.240 1.00 0.00 H new ATOM 0 HB3 CYS A 102 10.153 -11.507 13.550 1.00 0.00 H new ATOM 0 HG CYS A 102 11.674 -8.842 15.103 1.00 0.01 H new ATOM 1579 N PHE A 103 8.663 -9.207 12.628 1.00 0.00 N ATOM 1580 CA PHE A 103 8.511 -8.072 11.663 1.00 0.01 C ATOM 1581 C PHE A 103 7.031 -7.701 11.484 1.00 0.01 C ATOM 1582 O PHE A 103 6.709 -6.742 10.812 1.00 0.00 O ATOM 1583 CB PHE A 103 9.110 -8.484 10.308 1.00 0.00 C ATOM 1584 CG PHE A 103 10.623 -8.362 10.350 1.00 0.00 C ATOM 1585 CD1 PHE A 103 11.390 -9.313 11.039 1.00 0.01 C ATOM 1586 CD2 PHE A 103 11.258 -7.298 9.696 1.00 0.00 C ATOM 1587 CE1 PHE A 103 12.788 -9.194 11.074 1.00 0.01 C ATOM 1588 CE2 PHE A 103 12.652 -7.181 9.730 1.00 0.01 C ATOM 1589 CZ PHE A 103 13.417 -8.127 10.419 1.00 0.00 C ATOM 0 H PHE A 103 8.593 -10.138 12.217 1.00 0.00 H new ATOM 0 HA PHE A 103 9.036 -7.201 12.055 1.00 0.01 H new ATOM 0 HB2 PHE A 103 8.826 -9.510 10.072 1.00 0.00 H new ATOM 0 HB3 PHE A 103 8.708 -7.852 9.516 1.00 0.00 H new ATOM 0 HD1 PHE A 103 10.905 -10.136 11.542 1.00 0.01 H new ATOM 0 HD2 PHE A 103 10.669 -6.565 9.164 1.00 0.00 H new ATOM 0 HE1 PHE A 103 13.379 -9.925 11.606 1.00 0.01 H new ATOM 0 HE2 PHE A 103 13.137 -6.360 9.224 1.00 0.01 H new ATOM 0 HZ PHE A 103 14.493 -8.035 10.446 1.00 0.00 H new ATOM 1599 N ASP A 104 6.124 -8.431 12.080 1.00 0.01 N ATOM 1600 CA ASP A 104 4.682 -8.072 11.922 1.00 0.01 C ATOM 1601 C ASP A 104 4.420 -6.761 12.660 1.00 0.00 C ATOM 1602 O ASP A 104 3.698 -5.903 12.192 1.00 0.01 O ATOM 1603 CB ASP A 104 3.795 -9.160 12.524 1.00 0.01 C ATOM 1604 CG ASP A 104 3.870 -10.421 11.661 1.00 0.01 C ATOM 1605 OD1 ASP A 104 4.301 -10.314 10.525 1.00 0.01 O ATOM 1606 OD2 ASP A 104 3.493 -11.472 12.150 1.00 0.00 O ATOM 0 H ASP A 104 6.314 -9.248 12.661 1.00 0.01 H new ATOM 0 HA ASP A 104 4.453 -7.971 10.861 1.00 0.01 H new ATOM 0 HB2 ASP A 104 4.117 -9.384 13.541 1.00 0.01 H new ATOM 0 HB3 ASP A 104 2.764 -8.810 12.585 1.00 0.01 H new ATOM 1611 N GLU A 105 5.010 -6.598 13.813 1.00 0.00 N ATOM 1612 CA GLU A 105 4.799 -5.343 14.581 1.00 0.00 C ATOM 1613 C GLU A 105 5.371 -4.179 13.779 1.00 0.00 C ATOM 1614 O GLU A 105 4.824 -3.095 13.761 1.00 0.01 O ATOM 1615 CB GLU A 105 5.496 -5.447 15.943 1.00 0.00 C ATOM 1616 CG GLU A 105 7.009 -5.603 15.751 1.00 0.00 C ATOM 1617 CD GLU A 105 7.677 -5.780 17.116 1.00 0.01 C ATOM 1618 OE1 GLU A 105 7.019 -5.536 18.114 1.00 0.01 O ATOM 1619 OE2 GLU A 105 8.837 -6.158 17.140 1.00 0.00 O ATOM 0 H GLU A 105 5.628 -7.280 14.254 1.00 0.00 H new ATOM 0 HA GLU A 105 3.735 -5.180 14.750 1.00 0.00 H new ATOM 0 HB2 GLU A 105 5.287 -4.557 16.536 1.00 0.00 H new ATOM 0 HB3 GLU A 105 5.102 -6.299 16.497 1.00 0.00 H new ATOM 0 HG2 GLU A 105 7.220 -6.464 15.116 1.00 0.00 H new ATOM 0 HG3 GLU A 105 7.415 -4.727 15.246 1.00 0.00 H new ATOM 1626 N ALA A 106 6.462 -4.399 13.100 1.00 0.00 N ATOM 1627 CA ALA A 106 7.051 -3.306 12.286 1.00 0.00 C ATOM 1628 C ALA A 106 6.160 -3.086 11.062 1.00 0.00 C ATOM 1629 O ALA A 106 5.756 -1.979 10.773 1.00 0.00 O ATOM 1630 CB ALA A 106 8.468 -3.694 11.852 1.00 0.00 C ATOM 0 H ALA A 106 6.967 -5.285 13.075 1.00 0.00 H new ATOM 0 HA ALA A 106 7.110 -2.386 12.868 1.00 0.00 H new ATOM 0 HB1 ALA A 106 8.898 -2.890 11.255 1.00 0.00 H new ATOM 0 HB2 ALA A 106 9.086 -3.861 12.734 1.00 0.00 H new ATOM 0 HB3 ALA A 106 8.429 -4.607 11.258 1.00 0.00 H new ATOM 1636 N GLN A 107 5.827 -4.136 10.355 1.00 0.00 N ATOM 1637 CA GLN A 107 4.937 -3.978 9.168 1.00 0.00 C ATOM 1638 C GLN A 107 3.611 -3.385 9.643 1.00 0.00 C ATOM 1639 O GLN A 107 3.035 -2.527 9.005 1.00 0.00 O ATOM 1640 CB GLN A 107 4.674 -5.338 8.524 1.00 0.00 C ATOM 1641 CG GLN A 107 3.974 -5.134 7.178 1.00 0.00 C ATOM 1642 CD GLN A 107 3.457 -6.479 6.666 1.00 0.00 C ATOM 1643 OE1 GLN A 107 2.654 -7.116 7.316 1.00 0.00 O ATOM 1644 NE2 GLN A 107 3.894 -6.947 5.528 1.00 0.00 N ATOM 0 H GLN A 107 6.131 -5.090 10.548 1.00 0.00 H new ATOM 0 HA GLN A 107 5.412 -3.327 8.434 1.00 0.00 H new ATOM 0 HB2 GLN A 107 5.613 -5.873 8.381 1.00 0.00 H new ATOM 0 HB3 GLN A 107 4.055 -5.950 9.180 1.00 0.00 H new ATOM 0 HG2 GLN A 107 3.147 -4.432 7.288 1.00 0.00 H new ATOM 0 HG3 GLN A 107 4.667 -4.700 6.457 1.00 0.00 H new ATOM 0 HE21 GLN A 107 4.569 -6.412 4.982 1.00 0.00 H new ATOM 0 HE22 GLN A 107 3.560 -7.848 5.185 1.00 0.00 H new ATOM 1653 N LYS A 108 3.138 -3.835 10.774 1.00 0.00 N ATOM 1654 CA LYS A 108 1.861 -3.296 11.318 1.00 0.00 C ATOM 1655 C LYS A 108 2.037 -1.799 11.535 1.00 0.00 C ATOM 1656 O LYS A 108 1.178 -1.004 11.210 1.00 0.00 O ATOM 1657 CB LYS A 108 1.568 -3.972 12.661 1.00 0.00 C ATOM 1658 CG LYS A 108 0.270 -3.425 13.263 1.00 0.00 C ATOM 1659 CD LYS A 108 0.016 -4.107 14.611 1.00 0.01 C ATOM 1660 CE LYS A 108 -1.043 -3.324 15.387 1.00 0.00 C ATOM 1661 NZ LYS A 108 -0.464 -2.029 15.846 1.00 0.00 N ATOM 0 H LYS A 108 3.583 -4.554 11.345 1.00 0.00 H new ATOM 0 HA LYS A 108 1.038 -3.485 10.629 1.00 0.00 H new ATOM 0 HB2 LYS A 108 1.486 -5.050 12.522 1.00 0.00 H new ATOM 0 HB3 LYS A 108 2.396 -3.801 13.349 1.00 0.00 H new ATOM 0 HG2 LYS A 108 0.343 -2.346 13.396 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -0.565 -3.608 12.586 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -0.317 -5.133 14.454 1.00 0.01 H new ATOM 0 HD3 LYS A 108 0.941 -4.156 15.186 1.00 0.01 H new ATOM 0 HE2 LYS A 108 -1.913 -3.143 14.755 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -1.386 -3.905 16.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -1.161 -1.269 15.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -0.219 -2.096 16.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 0.392 -1.817 15.295 1.00 0.00 H new ATOM 1675 N LYS A 109 3.157 -1.412 12.075 1.00 0.01 N ATOM 1676 CA LYS A 109 3.405 0.030 12.303 1.00 0.00 C ATOM 1677 C LYS A 109 3.502 0.716 10.938 1.00 0.00 C ATOM 1678 O LYS A 109 3.049 1.830 10.761 1.00 0.00 O ATOM 1679 CB LYS A 109 4.700 0.207 13.096 1.00 0.00 C ATOM 1680 CG LYS A 109 4.798 1.640 13.644 1.00 0.00 C ATOM 1681 CD LYS A 109 3.758 1.867 14.762 1.00 0.01 C ATOM 1682 CE LYS A 109 4.253 2.958 15.715 1.00 0.00 C ATOM 1683 NZ LYS A 109 5.523 2.513 16.356 1.00 0.01 N ATOM 0 H LYS A 109 3.910 -2.035 12.367 1.00 0.01 H new ATOM 0 HA LYS A 109 2.594 0.477 12.878 1.00 0.00 H new ATOM 0 HB2 LYS A 109 4.731 -0.507 13.919 1.00 0.00 H new ATOM 0 HB3 LYS A 109 5.557 -0.005 12.457 1.00 0.00 H new ATOM 0 HG2 LYS A 109 5.801 1.819 14.031 1.00 0.00 H new ATOM 0 HG3 LYS A 109 4.635 2.355 12.838 1.00 0.00 H new ATOM 0 HD2 LYS A 109 2.801 2.157 14.328 1.00 0.01 H new ATOM 0 HD3 LYS A 109 3.592 0.940 15.311 1.00 0.01 H new ATOM 0 HE2 LYS A 109 4.414 3.888 15.169 1.00 0.00 H new ATOM 0 HE3 LYS A 109 3.500 3.161 16.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 5.800 3.196 17.090 1.00 0.01 H new ATOM 0 HZ2 LYS A 109 5.384 1.577 16.789 1.00 0.01 H new ATOM 0 HZ3 LYS A 109 6.273 2.454 15.637 1.00 0.01 H new ATOM 1697 N ILE A 110 4.058 0.047 9.958 1.00 0.00 N ATOM 1698 CA ILE A 110 4.138 0.660 8.603 1.00 0.00 C ATOM 1699 C ILE A 110 2.705 0.811 8.099 1.00 0.00 C ATOM 1700 O ILE A 110 2.344 1.812 7.519 1.00 0.00 O ATOM 1701 CB ILE A 110 4.939 -0.244 7.653 1.00 0.00 C ATOM 1702 CG1 ILE A 110 6.431 -0.252 8.045 1.00 0.00 C ATOM 1703 CG2 ILE A 110 4.787 0.248 6.210 1.00 0.00 C ATOM 1704 CD1 ILE A 110 7.042 1.160 7.983 1.00 0.00 C ATOM 0 H ILE A 110 4.456 -0.889 10.039 1.00 0.00 H new ATOM 0 HA ILE A 110 4.643 1.625 8.644 1.00 0.00 H new ATOM 0 HB ILE A 110 4.550 -1.259 7.731 1.00 0.00 H new ATOM 0 HG12 ILE A 110 6.541 -0.652 9.053 1.00 0.00 H new ATOM 0 HG13 ILE A 110 6.980 -0.916 7.377 1.00 0.00 H new ATOM 0 HG21 ILE A 110 5.358 -0.398 5.543 1.00 0.00 H new ATOM 0 HG22 ILE A 110 3.735 0.224 5.926 1.00 0.00 H new ATOM 0 HG23 ILE A 110 5.160 1.269 6.133 1.00 0.00 H new ATOM 0 HD11 ILE A 110 8.094 1.114 8.266 1.00 0.00 H new ATOM 0 HD12 ILE A 110 6.956 1.550 6.969 1.00 0.00 H new ATOM 0 HD13 ILE A 110 6.510 1.817 8.671 1.00 0.00 H new ATOM 1716 N PHE A 111 1.873 -0.167 8.354 1.00 0.00 N ATOM 1717 CA PHE A 111 0.452 -0.060 7.927 1.00 0.00 C ATOM 1718 C PHE A 111 -0.131 1.179 8.616 1.00 0.00 C ATOM 1719 O PHE A 111 -0.776 2.004 8.008 1.00 0.00 O ATOM 1720 CB PHE A 111 -0.315 -1.326 8.387 1.00 0.00 C ATOM 1721 CG PHE A 111 -0.484 -2.302 7.241 1.00 0.00 C ATOM 1722 CD1 PHE A 111 0.568 -2.527 6.348 1.00 0.00 C ATOM 1723 CD2 PHE A 111 -1.700 -2.982 7.077 1.00 0.00 C ATOM 1724 CE1 PHE A 111 0.405 -3.428 5.292 1.00 0.00 C ATOM 1725 CE2 PHE A 111 -1.861 -3.880 6.019 1.00 0.00 C ATOM 1726 CZ PHE A 111 -0.812 -4.103 5.129 1.00 0.00 C ATOM 0 H PHE A 111 2.119 -1.031 8.838 1.00 0.00 H new ATOM 0 HA PHE A 111 0.368 0.024 6.844 1.00 0.00 H new ATOM 0 HB2 PHE A 111 0.225 -1.807 9.203 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -1.293 -1.042 8.776 1.00 0.00 H new ATOM 0 HD1 PHE A 111 1.505 -2.005 6.474 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -2.512 -2.811 7.769 1.00 0.00 H new ATOM 0 HE1 PHE A 111 1.217 -3.604 4.602 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -2.798 -4.401 5.891 1.00 0.00 H new ATOM 0 HZ PHE A 111 -0.937 -4.798 4.312 1.00 0.00 H new ATOM 1736 N ASN A 112 0.109 1.311 9.889 1.00 0.00 N ATOM 1737 CA ASN A 112 -0.407 2.492 10.628 1.00 0.00 C ATOM 1738 C ASN A 112 0.251 3.755 10.067 1.00 0.00 C ATOM 1739 O ASN A 112 -0.374 4.784 9.915 1.00 0.00 O ATOM 1740 CB ASN A 112 -0.042 2.351 12.105 1.00 0.00 C ATOM 1741 CG ASN A 112 -0.851 1.210 12.720 1.00 0.00 C ATOM 1742 OD1 ASN A 112 -1.970 0.959 12.320 1.00 0.01 O ATOM 1743 ND2 ASN A 112 -0.320 0.495 13.672 1.00 0.00 N ATOM 0 H ASN A 112 0.643 0.648 10.451 1.00 0.00 H new ATOM 0 HA ASN A 112 -1.489 2.558 10.519 1.00 0.00 H new ATOM 0 HB2 ASN A 112 1.025 2.153 12.210 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -0.247 3.283 12.632 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -0.844 -0.277 14.083 1.00 0.00 H new ATOM 0 HD22 ASN A 112 0.620 0.708 14.006 1.00 0.00 H new ATOM 1750 N LEU A 113 1.518 3.679 9.767 1.00 0.00 N ATOM 1751 CA LEU A 113 2.233 4.868 9.227 1.00 0.00 C ATOM 1752 C LEU A 113 1.593 5.292 7.904 1.00 0.00 C ATOM 1753 O LEU A 113 1.105 6.396 7.763 1.00 0.00 O ATOM 1754 CB LEU A 113 3.705 4.490 9.000 1.00 0.00 C ATOM 1755 CG LEU A 113 4.608 5.737 9.010 1.00 0.00 C ATOM 1756 CD1 LEU A 113 4.097 6.765 7.995 1.00 0.00 C ATOM 1757 CD2 LEU A 113 4.650 6.370 10.417 1.00 0.00 C ATOM 0 H LEU A 113 2.090 2.841 9.873 1.00 0.00 H new ATOM 0 HA LEU A 113 2.169 5.698 9.930 1.00 0.00 H new ATOM 0 HB2 LEU A 113 4.029 3.797 9.776 1.00 0.00 H new ATOM 0 HB3 LEU A 113 3.807 3.971 8.047 1.00 0.00 H new ATOM 0 HG LEU A 113 5.617 5.431 8.736 1.00 0.00 H new ATOM 0 HD11 LEU A 113 4.743 7.643 8.010 1.00 0.00 H new ATOM 0 HD12 LEU A 113 4.105 6.326 6.997 1.00 0.00 H new ATOM 0 HD13 LEU A 113 3.080 7.058 8.255 1.00 0.00 H new ATOM 0 HD21 LEU A 113 5.294 7.249 10.401 1.00 0.00 H new ATOM 0 HD22 LEU A 113 3.643 6.663 10.715 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.043 5.646 11.130 1.00 0.00 H new ATOM 1769 N MET A 114 1.591 4.422 6.934 1.00 0.00 N ATOM 1770 CA MET A 114 0.983 4.776 5.624 1.00 0.00 C ATOM 1771 C MET A 114 -0.528 4.949 5.797 1.00 0.00 C ATOM 1772 O MET A 114 -1.125 5.837 5.233 1.00 0.00 O ATOM 1773 CB MET A 114 1.281 3.661 4.611 1.00 0.00 C ATOM 1774 CG MET A 114 0.626 2.345 5.059 1.00 0.00 C ATOM 1775 SD MET A 114 1.639 0.940 4.520 1.00 0.00 S ATOM 1776 CE MET A 114 0.929 0.728 2.869 1.00 0.00 C ATOM 0 H MET A 114 1.984 3.482 6.992 1.00 0.00 H new ATOM 0 HA MET A 114 1.405 5.711 5.257 1.00 0.00 H new ATOM 0 HB2 MET A 114 0.907 3.945 3.627 1.00 0.00 H new ATOM 0 HB3 MET A 114 2.358 3.525 4.516 1.00 0.00 H new ATOM 0 HG2 MET A 114 0.518 2.333 6.144 1.00 0.00 H new ATOM 0 HG3 MET A 114 -0.376 2.265 4.638 1.00 0.00 H new ATOM 0 HE1 MET A 114 1.727 0.536 2.152 1.00 0.00 H new ATOM 0 HE2 MET A 114 0.237 -0.114 2.876 1.00 0.00 H new ATOM 0 HE3 MET A 114 0.395 1.634 2.583 1.00 0.00 H new ATOM 1786 N GLU A 115 -1.160 4.113 6.573 1.00 0.00 N ATOM 1787 CA GLU A 115 -2.633 4.261 6.757 1.00 0.00 C ATOM 1788 C GLU A 115 -2.943 5.623 7.392 1.00 0.00 C ATOM 1789 O GLU A 115 -3.827 6.333 6.969 1.00 0.00 O ATOM 1790 CB GLU A 115 -3.171 3.145 7.656 1.00 0.00 C ATOM 1791 CG GLU A 115 -4.686 3.298 7.808 1.00 0.01 C ATOM 1792 CD GLU A 115 -5.242 2.115 8.600 1.00 0.00 C ATOM 1793 OE1 GLU A 115 -4.471 1.224 8.916 1.00 0.01 O ATOM 1794 OE2 GLU A 115 -6.430 2.120 8.878 1.00 0.00 O ATOM 0 H GLU A 115 -0.728 3.342 7.083 1.00 0.00 H new ATOM 0 HA GLU A 115 -3.115 4.195 5.782 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -2.934 2.172 7.226 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -2.691 3.187 8.633 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -4.918 4.232 8.319 1.00 0.01 H new ATOM 0 HG3 GLU A 115 -5.158 3.346 6.826 1.00 0.01 H new ATOM 1801 N LYS A 116 -2.241 5.988 8.418 1.00 0.01 N ATOM 1802 CA LYS A 116 -2.526 7.293 9.075 1.00 0.00 C ATOM 1803 C LYS A 116 -2.107 8.466 8.183 1.00 0.01 C ATOM 1804 O LYS A 116 -2.741 9.501 8.182 1.00 0.00 O ATOM 1805 CB LYS A 116 -1.778 7.370 10.404 1.00 0.00 C ATOM 1806 CG LYS A 116 -2.420 6.390 11.388 1.00 0.00 C ATOM 1807 CD LYS A 116 -1.691 6.444 12.730 1.00 0.00 C ATOM 1808 CE LYS A 116 -2.349 5.458 13.695 1.00 0.00 C ATOM 1809 NZ LYS A 116 -3.785 5.813 13.862 1.00 0.00 N ATOM 0 H LYS A 116 -1.484 5.445 8.833 1.00 0.01 H new ATOM 0 HA LYS A 116 -3.600 7.361 9.247 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -0.726 7.125 10.260 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -1.818 8.384 10.801 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -3.472 6.638 11.526 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -2.381 5.378 10.984 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -0.638 6.194 12.597 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -1.730 7.454 13.139 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -2.256 4.441 13.313 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -1.842 5.483 14.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -4.152 5.374 14.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -3.882 6.846 13.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -4.326 5.467 13.044 1.00 0.00 H new ATOM 1823 N ASP A 117 -1.024 8.333 7.454 1.00 0.00 N ATOM 1824 CA ASP A 117 -0.545 9.472 6.601 1.00 0.00 C ATOM 1825 C ASP A 117 -0.882 9.272 5.120 1.00 0.00 C ATOM 1826 O ASP A 117 -1.219 10.214 4.433 1.00 0.00 O ATOM 1827 CB ASP A 117 0.974 9.582 6.742 1.00 0.00 C ATOM 1828 CG ASP A 117 1.322 10.084 8.144 1.00 0.00 C ATOM 1829 OD1 ASP A 117 0.502 10.774 8.725 1.00 0.00 O ATOM 1830 OD2 ASP A 117 2.406 9.774 8.610 1.00 0.00 O ATOM 0 H ASP A 117 -0.452 7.490 7.411 1.00 0.00 H new ATOM 0 HA ASP A 117 -1.048 10.377 6.940 1.00 0.00 H new ATOM 0 HB2 ASP A 117 1.437 8.611 6.567 1.00 0.00 H new ATOM 0 HB3 ASP A 117 1.371 10.265 5.991 1.00 0.00 H new ATOM 1835 N SER A 118 -0.755 8.086 4.596 1.00 0.00 N ATOM 1836 CA SER A 118 -1.034 7.908 3.139 1.00 0.00 C ATOM 1837 C SER A 118 -2.538 7.833 2.855 1.00 0.00 C ATOM 1838 O SER A 118 -3.024 8.520 1.994 1.00 0.01 O ATOM 1839 CB SER A 118 -0.363 6.633 2.629 1.00 0.00 C ATOM 1840 OG SER A 118 -1.172 5.508 2.941 1.00 0.00 O ATOM 0 H SER A 118 -0.476 7.244 5.100 1.00 0.00 H new ATOM 0 HA SER A 118 -0.629 8.777 2.620 1.00 0.00 H new ATOM 0 HB2 SER A 118 -0.212 6.696 1.551 1.00 0.00 H new ATOM 0 HB3 SER A 118 0.622 6.522 3.083 1.00 0.00 H new ATOM 0 HG SER A 118 -1.501 5.586 3.861 1.00 0.00 H new ATOM 1846 N TYR A 119 -3.279 7.007 3.551 1.00 0.01 N ATOM 1847 CA TYR A 119 -4.750 6.902 3.260 1.00 0.00 C ATOM 1848 C TYR A 119 -5.421 8.276 3.342 1.00 0.01 C ATOM 1849 O TYR A 119 -6.154 8.665 2.455 1.00 0.01 O ATOM 1850 CB TYR A 119 -5.415 5.935 4.267 1.00 0.00 C ATOM 1851 CG TYR A 119 -5.876 4.673 3.574 1.00 0.00 C ATOM 1852 CD1 TYR A 119 -4.991 3.970 2.751 1.00 0.01 C ATOM 1853 CD2 TYR A 119 -7.182 4.211 3.755 1.00 0.01 C ATOM 1854 CE1 TYR A 119 -5.415 2.806 2.107 1.00 0.01 C ATOM 1855 CE2 TYR A 119 -7.604 3.045 3.110 1.00 0.01 C ATOM 1856 CZ TYR A 119 -6.717 2.345 2.287 1.00 0.00 C ATOM 1857 OH TYR A 119 -7.128 1.197 1.646 1.00 0.00 O ATOM 0 H TYR A 119 -2.938 6.405 4.301 1.00 0.01 H new ATOM 0 HA TYR A 119 -4.874 6.517 2.248 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -4.708 5.684 5.058 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -6.264 6.425 4.743 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -3.981 4.327 2.614 1.00 0.01 H new ATOM 0 HD2 TYR A 119 -7.864 4.754 4.392 1.00 0.01 H new ATOM 0 HE1 TYR A 119 -4.733 2.263 1.469 1.00 0.01 H new ATOM 0 HE2 TYR A 119 -8.613 2.686 3.247 1.00 0.01 H new ATOM 0 HH TYR A 119 -8.103 1.209 1.546 1.00 0.00 H new ATOM 1867 N ARG A 120 -5.197 9.010 4.390 1.00 0.00 N ATOM 1868 CA ARG A 120 -5.857 10.338 4.487 1.00 0.01 C ATOM 1869 C ARG A 120 -5.400 11.169 3.293 1.00 0.00 C ATOM 1870 O ARG A 120 -6.179 11.849 2.654 1.00 0.00 O ATOM 1871 CB ARG A 120 -5.424 11.029 5.785 1.00 0.00 C ATOM 1872 CG ARG A 120 -5.819 10.175 6.996 1.00 0.01 C ATOM 1873 CD ARG A 120 -7.307 10.347 7.313 1.00 0.00 C ATOM 1874 NE ARG A 120 -7.623 9.615 8.571 1.00 0.01 N ATOM 1875 CZ ARG A 120 -8.732 9.863 9.208 1.00 0.00 C ATOM 1876 NH1 ARG A 120 -9.561 10.757 8.744 1.00 0.00 N ATOM 1877 NH2 ARG A 120 -9.011 9.220 10.307 1.00 0.01 N ATOM 0 H ARG A 120 -4.595 8.755 5.173 1.00 0.00 H new ATOM 0 HA ARG A 120 -6.942 10.230 4.489 1.00 0.01 H new ATOM 0 HB2 ARG A 120 -4.346 11.188 5.779 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -5.891 12.012 5.856 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -5.603 9.126 6.794 1.00 0.01 H new ATOM 0 HG3 ARG A 120 -5.222 10.462 7.861 1.00 0.01 H new ATOM 0 HD2 ARG A 120 -7.549 11.404 7.422 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -7.913 9.964 6.492 1.00 0.00 H new ATOM 0 HE ARG A 120 -6.971 8.919 8.934 1.00 0.01 H new ATOM 0 HH11 ARG A 120 -9.340 11.260 7.884 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -10.430 10.953 9.241 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -8.361 8.522 10.669 1.00 0.01 H new ATOM 0 HH22 ARG A 120 -9.879 9.415 10.805 1.00 0.01 H new ATOM 1891 N ARG A 121 -4.144 11.086 2.966 1.00 0.00 N ATOM 1892 CA ARG A 121 -3.623 11.829 1.791 1.00 0.01 C ATOM 1893 C ARG A 121 -4.153 11.192 0.508 1.00 0.01 C ATOM 1894 O ARG A 121 -4.493 11.870 -0.436 1.00 0.01 O ATOM 1895 CB ARG A 121 -2.102 11.767 1.794 1.00 0.01 C ATOM 1896 CG ARG A 121 -1.551 12.669 2.895 1.00 0.00 C ATOM 1897 CD ARG A 121 -0.028 12.566 2.899 1.00 0.00 C ATOM 1898 NE ARG A 121 0.494 12.980 1.563 1.00 0.01 N ATOM 1899 CZ ARG A 121 1.765 13.222 1.402 1.00 0.01 C ATOM 1900 NH1 ARG A 121 2.583 13.112 2.413 1.00 0.00 N ATOM 1901 NH2 ARG A 121 2.219 13.575 0.229 1.00 0.01 N ATOM 0 H ARG A 121 -3.451 10.530 3.467 1.00 0.00 H new ATOM 0 HA ARG A 121 -3.950 12.868 1.842 1.00 0.01 H new ATOM 0 HB2 ARG A 121 -1.771 10.741 1.952 1.00 0.01 H new ATOM 0 HB3 ARG A 121 -1.714 12.081 0.825 1.00 0.01 H new ATOM 0 HG2 ARG A 121 -1.859 13.701 2.727 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -1.952 12.370 3.864 1.00 0.00 H new ATOM 0 HD2 ARG A 121 0.390 13.202 3.679 1.00 0.00 H new ATOM 0 HD3 ARG A 121 0.279 11.544 3.122 1.00 0.00 H new ATOM 0 HE ARG A 121 -0.145 13.074 0.774 1.00 0.01 H new ATOM 0 HH11 ARG A 121 2.228 12.837 3.329 1.00 0.00 H new ATOM 0 HH12 ARG A 121 3.577 13.301 2.287 1.00 0.00 H new ATOM 0 HH21 ARG A 121 1.579 13.661 -0.561 1.00 0.01 H new ATOM 0 HH22 ARG A 121 3.213 13.764 0.103 1.00 0.01 H new ATOM 1915 N PHE A 122 -4.210 9.886 0.460 1.00 0.01 N ATOM 1916 CA PHE A 122 -4.698 9.206 -0.769 1.00 0.01 C ATOM 1917 C PHE A 122 -6.121 9.675 -1.045 1.00 0.01 C ATOM 1918 O PHE A 122 -6.463 10.027 -2.146 1.00 0.01 O ATOM 1919 CB PHE A 122 -4.678 7.673 -0.548 1.00 0.00 C ATOM 1920 CG PHE A 122 -4.122 6.977 -1.763 1.00 0.01 C ATOM 1921 CD1 PHE A 122 -2.742 6.919 -1.942 1.00 0.01 C ATOM 1922 CD2 PHE A 122 -4.977 6.395 -2.701 1.00 0.00 C ATOM 1923 CE1 PHE A 122 -2.208 6.281 -3.061 1.00 0.01 C ATOM 1924 CE2 PHE A 122 -4.446 5.755 -3.825 1.00 0.00 C ATOM 1925 CZ PHE A 122 -3.059 5.698 -4.006 1.00 0.00 C ATOM 0 H PHE A 122 -3.939 9.264 1.221 1.00 0.01 H new ATOM 0 HA PHE A 122 -4.059 9.448 -1.618 1.00 0.01 H new ATOM 0 HB2 PHE A 122 -4.073 7.433 0.326 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -5.687 7.315 -0.345 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -2.084 7.369 -1.213 1.00 0.01 H new ATOM 0 HD2 PHE A 122 -6.047 6.439 -2.559 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -1.138 6.237 -3.198 1.00 0.01 H new ATOM 0 HE2 PHE A 122 -5.105 5.305 -4.553 1.00 0.00 H new ATOM 0 HZ PHE A 122 -2.647 5.205 -4.874 1.00 0.00 H new ATOM 1935 N LEU A 123 -6.946 9.694 -0.048 1.00 0.00 N ATOM 1936 CA LEU A 123 -8.340 10.150 -0.255 1.00 0.00 C ATOM 1937 C LEU A 123 -8.322 11.593 -0.762 1.00 0.01 C ATOM 1938 O LEU A 123 -9.112 11.977 -1.601 1.00 0.00 O ATOM 1939 CB LEU A 123 -9.104 10.065 1.069 1.00 0.00 C ATOM 1940 CG LEU A 123 -9.296 8.593 1.471 1.00 0.01 C ATOM 1941 CD1 LEU A 123 -9.863 8.530 2.893 1.00 0.00 C ATOM 1942 CD2 LEU A 123 -10.263 7.890 0.498 1.00 0.01 C ATOM 0 H LEU A 123 -6.716 9.413 0.905 1.00 0.00 H new ATOM 0 HA LEU A 123 -8.836 9.516 -0.990 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -8.557 10.595 1.849 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -10.074 10.553 0.971 1.00 0.00 H new ATOM 0 HG LEU A 123 -8.332 8.085 1.432 1.00 0.01 H new ATOM 0 HD11 LEU A 123 -10.001 7.489 3.184 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -9.169 9.010 3.583 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -10.822 9.046 2.925 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -10.387 6.849 0.797 1.00 0.01 H new ATOM 0 HD22 LEU A 123 -11.230 8.392 0.520 1.00 0.01 H new ATOM 0 HD23 LEU A 123 -9.856 7.931 -0.512 1.00 0.01 H new ATOM 1954 N LYS A 124 -7.432 12.403 -0.249 1.00 0.01 N ATOM 1955 CA LYS A 124 -7.363 13.828 -0.689 1.00 0.01 C ATOM 1956 C LYS A 124 -6.302 14.004 -1.786 1.00 0.01 C ATOM 1957 O LYS A 124 -6.041 15.105 -2.229 1.00 0.01 O ATOM 1958 CB LYS A 124 -6.999 14.698 0.515 1.00 0.01 C ATOM 1959 CG LYS A 124 -8.093 14.568 1.579 1.00 0.01 C ATOM 1960 CD LYS A 124 -7.733 15.437 2.785 1.00 0.01 C ATOM 1961 CE LYS A 124 -8.818 15.318 3.861 1.00 0.01 C ATOM 1962 NZ LYS A 124 -10.163 15.299 3.221 1.00 0.01 N ATOM 0 H LYS A 124 -6.747 12.137 0.459 1.00 0.01 H new ATOM 0 HA LYS A 124 -8.331 14.125 -1.093 1.00 0.01 H new ATOM 0 HB2 LYS A 124 -6.038 14.389 0.925 1.00 0.01 H new ATOM 0 HB3 LYS A 124 -6.895 15.739 0.209 1.00 0.01 H new ATOM 0 HG2 LYS A 124 -9.054 14.877 1.168 1.00 0.01 H new ATOM 0 HG3 LYS A 124 -8.197 13.527 1.885 1.00 0.01 H new ATOM 0 HD2 LYS A 124 -6.770 15.127 3.192 1.00 0.01 H new ATOM 0 HD3 LYS A 124 -7.629 16.477 2.476 1.00 0.01 H new ATOM 0 HE2 LYS A 124 -8.669 14.408 4.442 1.00 0.01 H new ATOM 0 HE3 LYS A 124 -8.747 16.155 4.556 1.00 0.01 H new ATOM 0 HZ1 LYS A 124 -10.885 15.557 3.923 1.00 0.01 H new ATOM 0 HZ2 LYS A 124 -10.184 15.981 2.436 1.00 0.01 H new ATOM 0 HZ3 LYS A 124 -10.360 14.345 2.856 1.00 0.01 H new ATOM 1976 N SER A 125 -5.681 12.941 -2.227 1.00 0.00 N ATOM 1977 CA SER A 125 -4.638 13.086 -3.289 1.00 0.01 C ATOM 1978 C SER A 125 -5.303 13.428 -4.628 1.00 0.01 C ATOM 1979 O SER A 125 -6.417 13.030 -4.897 1.00 0.01 O ATOM 1980 CB SER A 125 -3.860 11.776 -3.430 1.00 0.01 C ATOM 1981 OG SER A 125 -4.750 10.746 -3.837 1.00 0.01 O ATOM 0 H SER A 125 -5.847 11.988 -1.903 1.00 0.00 H new ATOM 0 HA SER A 125 -3.955 13.888 -3.009 1.00 0.01 H new ATOM 0 HB2 SER A 125 -3.060 11.891 -4.161 1.00 0.01 H new ATOM 0 HB3 SER A 125 -3.391 11.514 -2.482 1.00 0.01 H new ATOM 0 HG SER A 125 -5.421 10.598 -3.138 1.00 0.01 H new ATOM 1987 N ARG A 126 -4.624 14.162 -5.468 1.00 0.01 N ATOM 1988 CA ARG A 126 -5.213 14.534 -6.786 1.00 0.01 C ATOM 1989 C ARG A 126 -5.462 13.271 -7.616 1.00 0.00 C ATOM 1990 O ARG A 126 -6.482 13.134 -8.264 1.00 0.00 O ATOM 1991 CB ARG A 126 -4.239 15.454 -7.533 1.00 0.01 C ATOM 1992 CG ARG A 126 -4.878 15.984 -8.832 1.00 0.01 C ATOM 1993 CD ARG A 126 -5.760 17.212 -8.540 1.00 0.01 C ATOM 1994 NE ARG A 126 -6.901 17.237 -9.508 1.00 0.00 N ATOM 1995 CZ ARG A 126 -6.699 17.095 -10.790 1.00 0.01 C ATOM 1996 NH1 ARG A 126 -5.491 17.154 -11.280 1.00 0.01 N ATOM 1997 NH2 ARG A 126 -7.715 16.953 -11.595 1.00 0.01 N ATOM 0 H ARG A 126 -3.685 14.521 -5.297 1.00 0.01 H new ATOM 0 HA ARG A 126 -6.159 15.051 -6.628 1.00 0.01 H new ATOM 0 HB2 ARG A 126 -3.957 16.290 -6.893 1.00 0.01 H new ATOM 0 HB3 ARG A 126 -3.324 14.910 -7.768 1.00 0.01 H new ATOM 0 HG2 ARG A 126 -4.098 16.251 -9.545 1.00 0.01 H new ATOM 0 HG3 ARG A 126 -5.478 15.200 -9.295 1.00 0.01 H new ATOM 0 HD2 ARG A 126 -6.135 17.171 -7.517 1.00 0.01 H new ATOM 0 HD3 ARG A 126 -5.173 18.126 -8.627 1.00 0.01 H new ATOM 0 HE ARG A 126 -7.851 17.367 -9.161 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -4.696 17.312 -10.660 1.00 0.01 H new ATOM 0 HH12 ARG A 126 -5.341 17.042 -12.283 1.00 0.01 H new ATOM 0 HH21 ARG A 126 -8.665 16.953 -11.223 1.00 0.01 H new ATOM 0 HH22 ARG A 126 -7.560 16.842 -12.597 1.00 0.01 H new ATOM 2011 N PHE A 127 -4.539 12.351 -7.608 1.00 0.01 N ATOM 2012 CA PHE A 127 -4.724 11.107 -8.404 1.00 0.01 C ATOM 2013 C PHE A 127 -5.976 10.379 -7.922 1.00 0.01 C ATOM 2014 O PHE A 127 -6.795 9.938 -8.703 1.00 0.00 O ATOM 2015 CB PHE A 127 -3.507 10.200 -8.209 1.00 0.01 C ATOM 2016 CG PHE A 127 -2.343 10.725 -9.011 1.00 0.00 C ATOM 2017 CD1 PHE A 127 -1.470 11.661 -8.448 1.00 0.00 C ATOM 2018 CD2 PHE A 127 -2.136 10.270 -10.318 1.00 0.01 C ATOM 2019 CE1 PHE A 127 -0.387 12.143 -9.191 1.00 0.00 C ATOM 2020 CE2 PHE A 127 -1.054 10.751 -11.062 1.00 0.01 C ATOM 2021 CZ PHE A 127 -0.179 11.688 -10.498 1.00 0.00 C ATOM 0 H PHE A 127 -3.665 12.407 -7.085 1.00 0.01 H new ATOM 0 HA PHE A 127 -4.831 11.359 -9.459 1.00 0.01 H new ATOM 0 HB2 PHE A 127 -3.241 10.155 -7.153 1.00 0.01 H new ATOM 0 HB3 PHE A 127 -3.746 9.183 -8.521 1.00 0.01 H new ATOM 0 HD1 PHE A 127 -1.632 12.012 -7.439 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -2.812 9.548 -10.752 1.00 0.01 H new ATOM 0 HE1 PHE A 127 0.288 12.866 -8.756 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -0.893 10.400 -12.071 1.00 0.01 H new ATOM 0 HZ PHE A 127 0.657 12.060 -11.072 1.00 0.00 H new ATOM 2031 N TYR A 128 -6.133 10.254 -6.638 1.00 0.01 N ATOM 2032 CA TYR A 128 -7.328 9.557 -6.099 1.00 0.01 C ATOM 2033 C TYR A 128 -8.595 10.280 -6.550 1.00 0.01 C ATOM 2034 O TYR A 128 -9.543 9.671 -7.001 1.00 0.00 O ATOM 2035 CB TYR A 128 -7.258 9.564 -4.577 1.00 0.00 C ATOM 2036 CG TYR A 128 -8.464 8.863 -4.004 1.00 0.01 C ATOM 2037 CD1 TYR A 128 -8.468 7.468 -3.892 1.00 0.01 C ATOM 2038 CD2 TYR A 128 -9.579 9.603 -3.584 1.00 0.00 C ATOM 2039 CE1 TYR A 128 -9.585 6.810 -3.365 1.00 0.01 C ATOM 2040 CE2 TYR A 128 -10.696 8.944 -3.055 1.00 0.01 C ATOM 2041 CZ TYR A 128 -10.699 7.547 -2.945 1.00 0.01 C ATOM 2042 OH TYR A 128 -11.801 6.896 -2.428 1.00 0.01 O ATOM 0 H TYR A 128 -5.483 10.606 -5.936 1.00 0.01 H new ATOM 0 HA TYR A 128 -7.351 8.531 -6.468 1.00 0.01 H new ATOM 0 HB2 TYR A 128 -6.346 9.068 -4.244 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -7.215 10.590 -4.211 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -7.608 6.899 -4.213 1.00 0.01 H new ATOM 0 HD2 TYR A 128 -9.576 10.680 -3.668 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -9.588 5.733 -3.282 1.00 0.01 H new ATOM 0 HE2 TYR A 128 -11.555 9.513 -2.732 1.00 0.01 H new ATOM 0 HH TYR A 128 -12.485 7.554 -2.184 1.00 0.01 H new ATOM 2052 N LEU A 129 -8.620 11.574 -6.420 1.00 0.01 N ATOM 2053 CA LEU A 129 -9.833 12.331 -6.829 1.00 0.01 C ATOM 2054 C LEU A 129 -10.107 12.105 -8.318 1.00 0.01 C ATOM 2055 O LEU A 129 -11.203 11.746 -8.706 1.00 0.01 O ATOM 2056 CB LEU A 129 -9.603 13.822 -6.568 1.00 0.01 C ATOM 2057 CG LEU A 129 -9.530 14.077 -5.056 1.00 0.01 C ATOM 2058 CD1 LEU A 129 -9.064 15.517 -4.809 1.00 0.01 C ATOM 2059 CD2 LEU A 129 -10.908 13.849 -4.399 1.00 0.01 C ATOM 0 H LEU A 129 -7.856 12.139 -6.050 1.00 0.01 H new ATOM 0 HA LEU A 129 -10.692 11.985 -6.254 1.00 0.01 H new ATOM 0 HB2 LEU A 129 -8.679 14.147 -7.046 1.00 0.01 H new ATOM 0 HB3 LEU A 129 -10.411 14.407 -7.007 1.00 0.01 H new ATOM 0 HG LEU A 129 -8.820 13.380 -4.612 1.00 0.01 H new ATOM 0 HD11 LEU A 129 -9.011 15.703 -3.736 1.00 0.01 H new ATOM 0 HD12 LEU A 129 -8.079 15.662 -5.252 1.00 0.01 H new ATOM 0 HD13 LEU A 129 -9.771 16.211 -5.263 1.00 0.01 H new ATOM 0 HD21 LEU A 129 -10.835 14.035 -3.327 1.00 0.01 H new ATOM 0 HD22 LEU A 129 -11.637 14.531 -4.837 1.00 0.01 H new ATOM 0 HD23 LEU A 129 -11.226 12.820 -4.568 1.00 0.01 H new ATOM 2071 N ASP A 130 -9.127 12.298 -9.158 1.00 0.56 N ATOM 2072 CA ASP A 130 -9.347 12.078 -10.617 1.00 0.91 C ATOM 2073 C ASP A 130 -9.728 10.619 -10.851 1.00 1.05 C ATOM 2074 O ASP A 130 -10.609 10.313 -11.629 1.00 1.91 O ATOM 2075 CB ASP A 130 -8.066 12.404 -11.386 1.00 2.23 C ATOM 2076 CG ASP A 130 -7.824 13.913 -11.350 1.00 3.00 C ATOM 2077 OD1 ASP A 130 -8.786 14.641 -11.170 1.00 3.77 O ATOM 2078 OD2 ASP A 130 -6.684 14.314 -11.506 1.00 3.36 O ATOM 0 H ASP A 130 -8.187 12.597 -8.899 1.00 0.56 H new ATOM 0 HA ASP A 130 -10.149 12.727 -10.968 1.00 0.91 H new ATOM 0 HB2 ASP A 130 -7.220 11.878 -10.945 1.00 2.23 H new ATOM 0 HB3 ASP A 130 -8.151 12.062 -12.418 1.00 2.23 H new ATOM 2083 N LEU A 131 -9.077 9.716 -10.171 1.00 1.16 N ATOM 2084 CA LEU A 131 -9.409 8.277 -10.340 1.00 1.68 C ATOM 2085 C LEU A 131 -10.783 8.024 -9.725 1.00 2.00 C ATOM 2086 O LEU A 131 -11.542 7.198 -10.188 1.00 2.21 O ATOM 2087 CB LEU A 131 -8.370 7.412 -9.615 1.00 2.07 C ATOM 2088 CG LEU A 131 -7.010 7.473 -10.332 1.00 2.94 C ATOM 2089 CD1 LEU A 131 -5.943 6.867 -9.419 1.00 3.87 C ATOM 2090 CD2 LEU A 131 -7.047 6.668 -11.640 1.00 3.54 C ATOM 0 H LEU A 131 -8.330 9.914 -9.506 1.00 1.16 H new ATOM 0 HA LEU A 131 -9.410 8.022 -11.400 1.00 1.68 H new ATOM 0 HB2 LEU A 131 -8.259 7.755 -8.586 1.00 2.07 H new ATOM 0 HB3 LEU A 131 -8.717 6.380 -9.571 1.00 2.07 H new ATOM 0 HG LEU A 131 -6.782 8.514 -10.561 1.00 2.94 H new ATOM 0 HD11 LEU A 131 -4.974 6.905 -9.917 1.00 3.87 H new ATOM 0 HD12 LEU A 131 -5.895 7.434 -8.489 1.00 3.87 H new ATOM 0 HD13 LEU A 131 -6.198 5.830 -9.200 1.00 3.87 H new ATOM 0 HD21 LEU A 131 -6.075 6.725 -12.130 1.00 3.54 H new ATOM 0 HD22 LEU A 131 -7.282 5.627 -11.420 1.00 3.54 H new ATOM 0 HD23 LEU A 131 -7.811 7.080 -12.300 1.00 3.54 H new ATOM 2102 N THR A 132 -11.106 8.730 -8.669 1.00 2.68 N ATOM 2103 CA THR A 132 -12.425 8.533 -7.999 1.00 3.30 C ATOM 2104 C THR A 132 -13.418 9.593 -8.464 1.00 3.72 C ATOM 2105 O THR A 132 -13.865 10.429 -7.702 1.00 3.94 O ATOM 2106 CB THR A 132 -12.244 8.623 -6.482 1.00 3.80 C ATOM 2107 OG1 THR A 132 -11.790 9.925 -6.146 1.00 4.04 O ATOM 2108 CG2 THR A 132 -11.209 7.581 -6.004 1.00 4.63 C ATOM 0 H THR A 132 -10.508 9.437 -8.242 1.00 2.68 H new ATOM 0 HA THR A 132 -12.815 7.550 -8.263 1.00 3.30 H new ATOM 0 HB THR A 132 -13.198 8.422 -5.995 1.00 3.80 H new ATOM 0 HG1 THR A 132 -10.816 9.915 -6.041 1.00 4.04 H new ATOM 0 HG21 THR A 132 -11.090 7.656 -4.923 1.00 4.63 H new ATOM 0 HG22 THR A 132 -11.554 6.580 -6.263 1.00 4.63 H new ATOM 0 HG23 THR A 132 -10.251 7.771 -6.489 1.00 4.63 H new ATOM 2116 N ASN A 133 -13.788 9.535 -9.708 1.00 4.23 N ATOM 2117 CA ASN A 133 -14.783 10.498 -10.249 1.00 4.82 C ATOM 2118 C ASN A 133 -16.171 10.001 -9.825 1.00 5.34 C ATOM 2119 O ASN A 133 -16.331 8.824 -9.568 1.00 5.43 O ATOM 2120 CB ASN A 133 -14.659 10.510 -11.780 1.00 5.42 C ATOM 2121 CG ASN A 133 -13.488 11.405 -12.192 1.00 5.90 C ATOM 2122 OD1 ASN A 133 -13.356 11.760 -13.346 1.00 6.06 O ATOM 2123 ND2 ASN A 133 -12.627 11.786 -11.288 1.00 6.48 N ATOM 0 H ASN A 133 -13.440 8.853 -10.382 1.00 4.23 H new ATOM 0 HA ASN A 133 -14.621 11.509 -9.875 1.00 4.82 H new ATOM 0 HB2 ASN A 133 -14.504 9.497 -12.151 1.00 5.42 H new ATOM 0 HB3 ASN A 133 -15.584 10.875 -12.227 1.00 5.42 H new ATOM 0 HD21 ASN A 133 -11.842 12.383 -11.550 1.00 6.48 H new ATOM 0 HD22 ASN A 133 -12.739 11.487 -10.319 1.00 6.48 H new TER 2130 ASN A 133