USER MOD reduce.3.24.130724 H: found=0, std=0, add=939, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 937 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 67 HIS :FLIP no HE2:sc= -5.77! F(o=-7.1,f=-5.2!) USER MOD Set 1.2: A 112 GLN :FLIP amide:sc= 0.533 F(o=-7.1,f=-5.2) USER MOD Single : A 1 GLY N :NH3+ -107:sc= 0.0327 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.129 K(o=-0.13,f=-2.8) USER MOD Single : A 11 LYS NZ :NH3+ -133:sc= 0.907 (180deg=-0.919) USER MOD Single : A 12 ASN : amide:sc= -0.197 X(o=-0.2,f=-0.45) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl -116:sc= -2.76! (180deg=-4.4!) USER MOD Single : A 19 LYS NZ :NH3+ -173:sc= -5.88! (180deg=-6.06!) USER MOD Single : A 27 HIS : no HD1:sc= -0.704 K(o=-0.7,f=-1.7) USER MOD Single : A 28 GLN : amide:sc= -0.125 X(o=-0.13,f=-0.00041) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot 170:sc= -0.284 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.506 USER MOD Single : A 40 CYS SG : rot 180:sc= -0.155 USER MOD Single : A 42 TYR OH : rot 59:sc= 0.597 USER MOD Single : A 45 LYS NZ :NH3+ 152:sc= 0.574 (180deg=0.145) USER MOD Single : A 47 HIS : no HE2:sc= -3.03 K(o=-3,f=-5.9!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 CYS SG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.0241 X(o=-0.024,f=-0.022) USER MOD Single : A 72 CYS SG : rot 160:sc= -0.294 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 1:sc= 0.397 USER MOD Single : A 77 HIS : no HD1:sc= -0.404 K(o=-0.4,f=-1.5) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HD1:sc= -0.0588 X(o=-0.059,f=-0.01) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -154:sc= -0.167 (180deg=-0.658) USER MOD Single : A 91 ASN :FLIP amide:sc= 0.896 F(o=0,f=0.9) USER MOD Single : A 93 GLN : amide:sc=-0.00461 X(o=-0.0046,f=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.434 USER MOD Single : A 95 TYR OH : rot 125:sc= 0.0163 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 CYS SG : rot 119:sc= 0.804 USER MOD Single : A 100 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0548) USER MOD Single : A 102 GLN : amide:sc= -0.072 X(o=-0.072,f=-0.091) USER MOD Single : A 106 LYS NZ :NH3+ -144:sc= -0.422 (180deg=-1.47!) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -0.239 X(o=-0.24,f=-0.5) USER MOD Single : A 113 ASN :FLIP amide:sc= -2.69! C(o=-4.2!,f=-2.7!) USER MOD Single : A 115 THR OG1 : rot 180:sc=-0.00922 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 24:sc= 0.0124 USER MOD Single : A 125 SER OG : rot 180:sc= -0.0919 USER MOD Single : A 126 SER OG : rot 180:sc= -0.0591 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.808 -14.861 16.073 1.00 0.00 N ATOM 2 CA GLY A 1 17.674 -13.741 15.754 1.00 0.00 C ATOM 3 C GLY A 1 17.495 -13.257 14.328 1.00 0.00 C ATOM 4 O GLY A 1 17.146 -14.036 13.441 1.00 0.00 O ATOM 0 H1 GLY A 1 16.043 -14.541 16.701 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.399 -15.244 15.197 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.360 -15.602 16.551 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.469 -12.920 16.441 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.713 -14.034 15.907 1.00 0.00 H new ATOM 8 N SER A 2 17.733 -11.968 14.108 1.00 0.00 N ATOM 9 CA SER A 2 17.591 -11.381 12.781 1.00 0.00 C ATOM 10 C SER A 2 18.044 -12.360 11.702 1.00 0.00 C ATOM 11 O SER A 2 17.296 -12.667 10.773 1.00 0.00 O ATOM 12 CB SER A 2 18.402 -10.087 12.683 1.00 0.00 C ATOM 13 OG SER A 2 17.827 -9.064 13.478 1.00 0.00 O ATOM 0 H SER A 2 18.025 -11.311 14.831 1.00 0.00 H new ATOM 0 HA SER A 2 16.537 -11.154 12.623 1.00 0.00 H new ATOM 0 HB2 SER A 2 19.427 -10.271 13.006 1.00 0.00 H new ATOM 0 HB3 SER A 2 18.449 -9.761 11.644 1.00 0.00 H new ATOM 0 HG SER A 2 18.364 -8.248 13.400 1.00 0.00 H new ATOM 19 N SER A 3 19.274 -12.847 11.832 1.00 0.00 N ATOM 20 CA SER A 3 19.829 -13.789 10.867 1.00 0.00 C ATOM 21 C SER A 3 19.032 -15.089 10.856 1.00 0.00 C ATOM 22 O SER A 3 18.473 -15.496 11.873 1.00 0.00 O ATOM 23 CB SER A 3 21.296 -14.079 11.191 1.00 0.00 C ATOM 24 OG SER A 3 21.845 -15.013 10.278 1.00 0.00 O ATOM 0 H SER A 3 19.905 -12.605 12.596 1.00 0.00 H new ATOM 0 HA SER A 3 19.766 -13.337 9.877 1.00 0.00 H new ATOM 0 HB2 SER A 3 21.869 -13.152 11.157 1.00 0.00 H new ATOM 0 HB3 SER A 3 21.378 -14.467 12.206 1.00 0.00 H new ATOM 0 HG SER A 3 22.783 -15.180 10.506 1.00 0.00 H new ATOM 30 N GLY A 4 18.985 -15.738 9.696 1.00 0.00 N ATOM 31 CA GLY A 4 18.254 -16.985 9.573 1.00 0.00 C ATOM 32 C GLY A 4 16.785 -16.769 9.265 1.00 0.00 C ATOM 33 O GLY A 4 16.000 -16.438 10.153 1.00 0.00 O ATOM 0 H GLY A 4 19.440 -15.422 8.840 1.00 0.00 H new ATOM 0 HA2 GLY A 4 18.702 -17.589 8.784 1.00 0.00 H new ATOM 0 HA3 GLY A 4 18.348 -17.551 10.500 1.00 0.00 H new ATOM 37 N SER A 5 16.413 -16.955 8.003 1.00 0.00 N ATOM 38 CA SER A 5 15.030 -16.773 7.578 1.00 0.00 C ATOM 39 C SER A 5 14.807 -17.358 6.187 1.00 0.00 C ATOM 40 O SER A 5 15.640 -17.200 5.294 1.00 0.00 O ATOM 41 CB SER A 5 14.664 -15.287 7.584 1.00 0.00 C ATOM 42 OG SER A 5 15.447 -14.566 6.648 1.00 0.00 O ATOM 0 H SER A 5 17.050 -17.232 7.256 1.00 0.00 H new ATOM 0 HA SER A 5 14.387 -17.301 8.282 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.607 -15.169 7.347 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.815 -14.876 8.582 1.00 0.00 H new ATOM 0 HG SER A 5 15.193 -13.620 6.669 1.00 0.00 H new ATOM 48 N SER A 6 13.677 -18.035 6.011 1.00 0.00 N ATOM 49 CA SER A 6 13.344 -18.648 4.731 1.00 0.00 C ATOM 50 C SER A 6 12.575 -17.673 3.845 1.00 0.00 C ATOM 51 O SER A 6 11.906 -16.765 4.337 1.00 0.00 O ATOM 52 CB SER A 6 12.519 -19.918 4.948 1.00 0.00 C ATOM 53 OG SER A 6 13.291 -20.926 5.578 1.00 0.00 O ATOM 0 H SER A 6 12.976 -18.173 6.739 1.00 0.00 H new ATOM 0 HA SER A 6 14.275 -18.910 4.229 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.646 -19.688 5.559 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.150 -20.284 3.990 1.00 0.00 H new ATOM 0 HG SER A 6 12.741 -21.727 5.707 1.00 0.00 H new ATOM 59 N GLY A 7 12.675 -17.868 2.534 1.00 0.00 N ATOM 60 CA GLY A 7 11.984 -16.999 1.599 1.00 0.00 C ATOM 61 C GLY A 7 11.836 -17.624 0.226 1.00 0.00 C ATOM 62 O GLY A 7 12.569 -18.542 -0.143 1.00 0.00 O ATOM 0 H GLY A 7 13.222 -18.613 2.102 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.997 -16.758 1.993 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.529 -16.060 1.510 1.00 0.00 H new ATOM 66 N PRO A 8 10.867 -17.124 -0.554 1.00 0.00 N ATOM 67 CA PRO A 8 10.602 -17.626 -1.906 1.00 0.00 C ATOM 68 C PRO A 8 11.712 -17.266 -2.887 1.00 0.00 C ATOM 69 O PRO A 8 12.714 -16.657 -2.509 1.00 0.00 O ATOM 70 CB PRO A 8 9.297 -16.926 -2.295 1.00 0.00 C ATOM 71 CG PRO A 8 9.275 -15.683 -1.473 1.00 0.00 C ATOM 72 CD PRO A 8 9.956 -16.031 -0.178 1.00 0.00 C ATOM 0 HA PRO A 8 10.543 -18.714 -1.932 1.00 0.00 H new ATOM 0 HB2 PRO A 8 9.273 -16.697 -3.360 1.00 0.00 H new ATOM 0 HB3 PRO A 8 8.432 -17.555 -2.085 1.00 0.00 H new ATOM 0 HG2 PRO A 8 9.794 -14.870 -1.981 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.252 -15.348 -1.299 1.00 0.00 H new ATOM 0 HD2 PRO A 8 10.498 -15.179 0.232 1.00 0.00 H new ATOM 0 HD3 PRO A 8 9.240 -16.348 0.580 1.00 0.00 H new ATOM 80 N TYR A 9 11.529 -17.645 -4.146 1.00 0.00 N ATOM 81 CA TYR A 9 12.517 -17.363 -5.181 1.00 0.00 C ATOM 82 C TYR A 9 12.034 -16.251 -6.107 1.00 0.00 C ATOM 83 O TYR A 9 12.721 -15.249 -6.304 1.00 0.00 O ATOM 84 CB TYR A 9 12.811 -18.626 -5.992 1.00 0.00 C ATOM 85 CG TYR A 9 13.488 -19.715 -5.192 1.00 0.00 C ATOM 86 CD1 TYR A 9 14.752 -19.521 -4.648 1.00 0.00 C ATOM 87 CD2 TYR A 9 12.865 -20.939 -4.981 1.00 0.00 C ATOM 88 CE1 TYR A 9 15.375 -20.514 -3.917 1.00 0.00 C ATOM 89 CE2 TYR A 9 13.479 -21.937 -4.250 1.00 0.00 C ATOM 90 CZ TYR A 9 14.734 -21.720 -3.720 1.00 0.00 C ATOM 91 OH TYR A 9 15.351 -22.712 -2.993 1.00 0.00 O ATOM 0 H TYR A 9 10.705 -18.149 -4.475 1.00 0.00 H new ATOM 0 HA TYR A 9 13.433 -17.031 -4.692 1.00 0.00 H new ATOM 0 HB2 TYR A 9 11.876 -19.013 -6.398 1.00 0.00 H new ATOM 0 HB3 TYR A 9 13.443 -18.364 -6.841 1.00 0.00 H new ATOM 0 HD1 TYR A 9 15.256 -18.578 -4.799 1.00 0.00 H new ATOM 0 HD2 TYR A 9 11.883 -21.113 -5.396 1.00 0.00 H new ATOM 0 HE1 TYR A 9 16.358 -20.347 -3.502 1.00 0.00 H new ATOM 0 HE2 TYR A 9 12.980 -22.882 -4.094 1.00 0.00 H new ATOM 0 HH TYR A 9 14.765 -23.496 -2.947 1.00 0.00 H new ATOM 101 N ASN A 10 10.845 -16.435 -6.673 1.00 0.00 N ATOM 102 CA ASN A 10 10.268 -15.449 -7.579 1.00 0.00 C ATOM 103 C ASN A 10 9.216 -14.605 -6.865 1.00 0.00 C ATOM 104 O ASN A 10 8.479 -15.102 -6.013 1.00 0.00 O ATOM 105 CB ASN A 10 9.646 -16.142 -8.792 1.00 0.00 C ATOM 106 CG ASN A 10 9.223 -15.158 -9.866 1.00 0.00 C ATOM 107 OD1 ASN A 10 9.688 -14.019 -9.898 1.00 0.00 O ATOM 108 ND2 ASN A 10 8.337 -15.596 -10.753 1.00 0.00 N ATOM 0 H ASN A 10 10.263 -17.258 -6.520 1.00 0.00 H new ATOM 0 HA ASN A 10 11.068 -14.791 -7.917 1.00 0.00 H new ATOM 0 HB2 ASN A 10 10.363 -16.847 -9.211 1.00 0.00 H new ATOM 0 HB3 ASN A 10 8.780 -16.721 -8.472 1.00 0.00 H new ATOM 0 HD21 ASN A 10 8.015 -14.980 -11.499 1.00 0.00 H new ATOM 0 HD22 ASN A 10 7.978 -16.549 -10.688 1.00 0.00 H new ATOM 115 N LYS A 11 9.150 -13.327 -7.220 1.00 0.00 N ATOM 116 CA LYS A 11 8.187 -12.413 -6.617 1.00 0.00 C ATOM 117 C LYS A 11 8.075 -11.127 -7.429 1.00 0.00 C ATOM 118 O LYS A 11 9.018 -10.729 -8.112 1.00 0.00 O ATOM 119 CB LYS A 11 8.594 -12.087 -5.178 1.00 0.00 C ATOM 120 CG LYS A 11 9.848 -11.236 -5.079 1.00 0.00 C ATOM 121 CD LYS A 11 11.105 -12.088 -5.116 1.00 0.00 C ATOM 122 CE LYS A 11 11.402 -12.703 -3.757 1.00 0.00 C ATOM 123 NZ LYS A 11 12.319 -13.871 -3.864 1.00 0.00 N ATOM 0 H LYS A 11 9.753 -12.900 -7.923 1.00 0.00 H new ATOM 0 HA LYS A 11 7.213 -12.903 -6.610 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.772 -11.567 -4.686 1.00 0.00 H new ATOM 0 HB3 LYS A 11 8.753 -13.018 -4.634 1.00 0.00 H new ATOM 0 HG2 LYS A 11 9.869 -10.520 -5.901 1.00 0.00 H new ATOM 0 HG3 LYS A 11 9.825 -10.659 -4.154 1.00 0.00 H new ATOM 0 HD2 LYS A 11 10.988 -12.879 -5.857 1.00 0.00 H new ATOM 0 HD3 LYS A 11 11.950 -11.477 -5.433 1.00 0.00 H new ATOM 0 HE2 LYS A 11 11.848 -11.950 -3.107 1.00 0.00 H new ATOM 0 HE3 LYS A 11 10.469 -13.016 -3.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 11.944 -14.660 -3.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 12.395 -14.163 -4.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 13.260 -13.608 -3.508 1.00 0.00 H new ATOM 137 N ASN A 12 6.917 -10.480 -7.347 1.00 0.00 N ATOM 138 CA ASN A 12 6.683 -9.237 -8.074 1.00 0.00 C ATOM 139 C ASN A 12 7.677 -8.162 -7.647 1.00 0.00 C ATOM 140 O ASN A 12 8.085 -7.324 -8.451 1.00 0.00 O ATOM 141 CB ASN A 12 5.252 -8.747 -7.840 1.00 0.00 C ATOM 142 CG ASN A 12 4.974 -7.426 -8.530 1.00 0.00 C ATOM 143 OD1 ASN A 12 5.032 -7.329 -9.756 1.00 0.00 O ATOM 144 ND2 ASN A 12 4.670 -6.400 -7.744 1.00 0.00 N ATOM 0 H ASN A 12 6.126 -10.795 -6.785 1.00 0.00 H new ATOM 0 HA ASN A 12 6.823 -9.434 -9.137 1.00 0.00 H new ATOM 0 HB2 ASN A 12 4.550 -9.498 -8.202 1.00 0.00 H new ATOM 0 HB3 ASN A 12 5.078 -8.638 -6.769 1.00 0.00 H new ATOM 0 HD21 ASN A 12 4.473 -5.486 -8.152 1.00 0.00 H new ATOM 0 HD22 ASN A 12 4.633 -6.526 -6.732 1.00 0.00 H new ATOM 151 N GLY A 13 8.064 -8.192 -6.376 1.00 0.00 N ATOM 152 CA GLY A 13 9.008 -7.216 -5.864 1.00 0.00 C ATOM 153 C GLY A 13 8.779 -6.900 -4.399 1.00 0.00 C ATOM 154 O GLY A 13 9.712 -6.542 -3.680 1.00 0.00 O ATOM 0 H GLY A 13 7.741 -8.875 -5.691 1.00 0.00 H new ATOM 0 HA2 GLY A 13 10.022 -7.592 -5.997 1.00 0.00 H new ATOM 0 HA3 GLY A 13 8.929 -6.298 -6.447 1.00 0.00 H new ATOM 158 N PHE A 14 7.533 -7.032 -3.955 1.00 0.00 N ATOM 159 CA PHE A 14 7.184 -6.755 -2.567 1.00 0.00 C ATOM 160 C PHE A 14 7.978 -7.648 -1.618 1.00 0.00 C ATOM 161 O PHE A 14 8.189 -8.830 -1.889 1.00 0.00 O ATOM 162 CB PHE A 14 5.684 -6.963 -2.345 1.00 0.00 C ATOM 163 CG PHE A 14 4.831 -5.913 -2.998 1.00 0.00 C ATOM 164 CD1 PHE A 14 4.480 -6.019 -4.334 1.00 0.00 C ATOM 165 CD2 PHE A 14 4.380 -4.820 -2.275 1.00 0.00 C ATOM 166 CE1 PHE A 14 3.694 -5.054 -4.937 1.00 0.00 C ATOM 167 CE2 PHE A 14 3.594 -3.853 -2.872 1.00 0.00 C ATOM 168 CZ PHE A 14 3.252 -3.970 -4.206 1.00 0.00 C ATOM 0 H PHE A 14 6.749 -7.329 -4.536 1.00 0.00 H new ATOM 0 HA PHE A 14 7.435 -5.716 -2.356 1.00 0.00 H new ATOM 0 HB2 PHE A 14 5.400 -7.942 -2.731 1.00 0.00 H new ATOM 0 HB3 PHE A 14 5.481 -6.971 -1.274 1.00 0.00 H new ATOM 0 HD1 PHE A 14 4.824 -6.865 -4.911 1.00 0.00 H new ATOM 0 HD2 PHE A 14 4.646 -4.723 -1.233 1.00 0.00 H new ATOM 0 HE1 PHE A 14 3.426 -5.149 -5.979 1.00 0.00 H new ATOM 0 HE2 PHE A 14 3.247 -3.007 -2.297 1.00 0.00 H new ATOM 0 HZ PHE A 14 2.640 -3.214 -4.676 1.00 0.00 H new ATOM 178 N LYS A 15 8.415 -7.074 -0.502 1.00 0.00 N ATOM 179 CA LYS A 15 9.186 -7.816 0.489 1.00 0.00 C ATOM 180 C LYS A 15 8.562 -7.681 1.875 1.00 0.00 C ATOM 181 O LYS A 15 8.063 -6.617 2.241 1.00 0.00 O ATOM 182 CB LYS A 15 10.632 -7.316 0.519 1.00 0.00 C ATOM 183 CG LYS A 15 11.299 -7.301 -0.846 1.00 0.00 C ATOM 184 CD LYS A 15 11.700 -8.699 -1.286 1.00 0.00 C ATOM 185 CE LYS A 15 12.059 -8.737 -2.763 1.00 0.00 C ATOM 186 NZ LYS A 15 13.489 -8.393 -2.995 1.00 0.00 N ATOM 0 H LYS A 15 8.248 -6.097 -0.261 1.00 0.00 H new ATOM 0 HA LYS A 15 9.178 -8.869 0.206 1.00 0.00 H new ATOM 0 HB2 LYS A 15 10.651 -6.308 0.934 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.212 -7.948 1.191 1.00 0.00 H new ATOM 0 HG2 LYS A 15 10.619 -6.869 -1.580 1.00 0.00 H new ATOM 0 HG3 LYS A 15 12.181 -6.662 -0.814 1.00 0.00 H new ATOM 0 HD2 LYS A 15 12.551 -9.038 -0.695 1.00 0.00 H new ATOM 0 HD3 LYS A 15 10.881 -9.392 -1.092 1.00 0.00 H new ATOM 0 HE2 LYS A 15 11.855 -9.731 -3.161 1.00 0.00 H new ATOM 0 HE3 LYS A 15 11.424 -8.039 -3.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 13.694 -8.430 -4.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 13.678 -7.434 -2.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 14.095 -9.074 -2.495 1.00 0.00 H new ATOM 200 N VAL A 16 8.595 -8.767 2.641 1.00 0.00 N ATOM 201 CA VAL A 16 8.035 -8.769 3.988 1.00 0.00 C ATOM 202 C VAL A 16 8.639 -7.655 4.836 1.00 0.00 C ATOM 203 O VAL A 16 9.849 -7.610 5.049 1.00 0.00 O ATOM 204 CB VAL A 16 8.269 -10.119 4.691 1.00 0.00 C ATOM 205 CG1 VAL A 16 7.859 -10.038 6.153 1.00 0.00 C ATOM 206 CG2 VAL A 16 7.512 -11.229 3.977 1.00 0.00 C ATOM 0 H VAL A 16 9.003 -9.656 2.352 1.00 0.00 H new ATOM 0 HA VAL A 16 6.963 -8.603 3.885 1.00 0.00 H new ATOM 0 HB VAL A 16 9.333 -10.351 4.650 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.032 -11.001 6.633 1.00 0.00 H new ATOM 0 HG12 VAL A 16 8.450 -9.271 6.655 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.801 -9.783 6.221 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.688 -12.176 4.487 1.00 0.00 H new ATOM 0 HG22 VAL A 16 6.445 -11.006 3.985 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.859 -11.302 2.946 1.00 0.00 H new ATOM 216 N GLY A 17 7.785 -6.757 5.319 1.00 0.00 N ATOM 217 CA GLY A 17 8.253 -5.655 6.139 1.00 0.00 C ATOM 218 C GLY A 17 7.837 -4.305 5.589 1.00 0.00 C ATOM 219 O GLY A 17 7.642 -3.353 6.344 1.00 0.00 O ATOM 0 H GLY A 17 6.778 -6.773 5.157 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.863 -5.768 7.150 1.00 0.00 H new ATOM 0 HA3 GLY A 17 9.340 -5.695 6.210 1.00 0.00 H new ATOM 223 N MET A 18 7.702 -4.222 4.269 1.00 0.00 N ATOM 224 CA MET A 18 7.307 -2.978 3.619 1.00 0.00 C ATOM 225 C MET A 18 5.821 -2.705 3.826 1.00 0.00 C ATOM 226 O MET A 18 4.968 -3.426 3.307 1.00 0.00 O ATOM 227 CB MET A 18 7.623 -3.037 2.123 1.00 0.00 C ATOM 228 CG MET A 18 9.105 -3.197 1.821 1.00 0.00 C ATOM 229 SD MET A 18 9.538 -2.646 0.160 1.00 0.00 S ATOM 230 CE MET A 18 8.648 -3.839 -0.836 1.00 0.00 C ATOM 0 H MET A 18 7.860 -5.001 3.630 1.00 0.00 H new ATOM 0 HA MET A 18 7.874 -2.164 4.071 1.00 0.00 H new ATOM 0 HB2 MET A 18 7.078 -3.869 1.677 1.00 0.00 H new ATOM 0 HB3 MET A 18 7.260 -2.126 1.647 1.00 0.00 H new ATOM 0 HG2 MET A 18 9.684 -2.630 2.550 1.00 0.00 H new ATOM 0 HG3 MET A 18 9.385 -4.244 1.937 1.00 0.00 H new ATOM 0 HE1 MET A 18 9.358 -4.440 -1.405 1.00 0.00 H new ATOM 0 HE2 MET A 18 8.061 -4.489 -0.187 1.00 0.00 H new ATOM 0 HE3 MET A 18 7.983 -3.316 -1.523 1.00 0.00 H new ATOM 240 N LYS A 19 5.516 -1.659 4.586 1.00 0.00 N ATOM 241 CA LYS A 19 4.133 -1.289 4.861 1.00 0.00 C ATOM 242 C LYS A 19 3.524 -0.541 3.680 1.00 0.00 C ATOM 243 O LYS A 19 4.207 0.227 3.000 1.00 0.00 O ATOM 244 CB LYS A 19 4.056 -0.423 6.121 1.00 0.00 C ATOM 245 CG LYS A 19 4.650 -1.085 7.352 1.00 0.00 C ATOM 246 CD LYS A 19 4.584 -0.171 8.564 1.00 0.00 C ATOM 247 CE LYS A 19 5.733 -0.435 9.524 1.00 0.00 C ATOM 248 NZ LYS A 19 6.945 0.355 9.169 1.00 0.00 N ATOM 0 H LYS A 19 6.209 -1.052 5.023 1.00 0.00 H new ATOM 0 HA LYS A 19 3.564 -2.205 5.021 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.576 0.517 5.938 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.013 -0.177 6.319 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.114 -2.010 7.563 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.687 -1.356 7.156 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.612 0.869 8.239 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.636 -0.318 9.081 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.422 -0.187 10.539 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.977 -1.497 9.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.740 0.061 9.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.187 0.190 8.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.755 1.367 9.316 1.00 0.00 H new ATOM 262 N LEU A 20 2.238 -0.769 3.440 1.00 0.00 N ATOM 263 CA LEU A 20 1.536 -0.115 2.341 1.00 0.00 C ATOM 264 C LEU A 20 0.057 0.061 2.667 1.00 0.00 C ATOM 265 O LEU A 20 -0.389 -0.265 3.767 1.00 0.00 O ATOM 266 CB LEU A 20 1.694 -0.928 1.055 1.00 0.00 C ATOM 267 CG LEU A 20 0.961 -2.270 1.015 1.00 0.00 C ATOM 268 CD1 LEU A 20 0.578 -2.626 -0.413 1.00 0.00 C ATOM 269 CD2 LEU A 20 1.822 -3.365 1.627 1.00 0.00 C ATOM 0 H LEU A 20 1.659 -1.402 3.992 1.00 0.00 H new ATOM 0 HA LEU A 20 1.976 0.872 2.197 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.345 -0.321 0.220 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.756 -1.112 0.893 1.00 0.00 H new ATOM 0 HG LEU A 20 0.047 -2.182 1.603 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.058 -3.584 -0.422 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.076 -1.854 -0.818 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.478 -2.696 -1.024 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.285 -4.313 1.590 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.752 -3.453 1.066 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.046 -3.115 2.664 1.00 0.00 H new ATOM 281 N GLU A 21 -0.699 0.577 1.703 1.00 0.00 N ATOM 282 CA GLU A 21 -2.129 0.795 1.888 1.00 0.00 C ATOM 283 C GLU A 21 -2.936 0.028 0.844 1.00 0.00 C ATOM 284 O GLU A 21 -2.385 -0.482 -0.130 1.00 0.00 O ATOM 285 CB GLU A 21 -2.455 2.288 1.805 1.00 0.00 C ATOM 286 CG GLU A 21 -1.833 3.109 2.922 1.00 0.00 C ATOM 287 CD GLU A 21 -1.877 4.599 2.643 1.00 0.00 C ATOM 288 OE1 GLU A 21 -1.477 5.008 1.534 1.00 0.00 O ATOM 289 OE2 GLU A 21 -2.313 5.356 3.536 1.00 0.00 O ATOM 0 H GLU A 21 -0.345 0.852 0.787 1.00 0.00 H new ATOM 0 HA GLU A 21 -2.402 0.425 2.876 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.110 2.674 0.846 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.537 2.417 1.830 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.357 2.902 3.855 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.797 2.800 3.062 1.00 0.00 H new ATOM 296 N GLY A 22 -4.246 -0.049 1.057 1.00 0.00 N ATOM 297 CA GLY A 22 -5.108 -0.756 0.128 1.00 0.00 C ATOM 298 C GLY A 22 -6.553 -0.785 0.585 1.00 0.00 C ATOM 299 O GLY A 22 -6.872 -0.341 1.688 1.00 0.00 O ATOM 0 H GLY A 22 -4.726 0.365 1.856 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -5.049 -0.280 -0.851 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.747 -1.778 0.008 1.00 0.00 H new ATOM 303 N VAL A 23 -7.431 -1.308 -0.266 1.00 0.00 N ATOM 304 CA VAL A 23 -8.850 -1.393 0.056 1.00 0.00 C ATOM 305 C VAL A 23 -9.182 -2.720 0.730 1.00 0.00 C ATOM 306 O VAL A 23 -8.525 -3.732 0.489 1.00 0.00 O ATOM 307 CB VAL A 23 -9.722 -1.238 -1.204 1.00 0.00 C ATOM 308 CG1 VAL A 23 -11.130 -1.751 -0.946 1.00 0.00 C ATOM 309 CG2 VAL A 23 -9.749 0.214 -1.656 1.00 0.00 C ATOM 0 H VAL A 23 -7.184 -1.679 -1.183 1.00 0.00 H new ATOM 0 HA VAL A 23 -9.068 -0.575 0.743 1.00 0.00 H new ATOM 0 HB VAL A 23 -9.285 -1.836 -2.004 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -11.731 -1.633 -1.848 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -11.089 -2.805 -0.673 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -11.581 -1.183 -0.132 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -10.369 0.306 -2.547 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -10.162 0.835 -0.861 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.735 0.543 -1.884 1.00 0.00 H new ATOM 319 N ASP A 24 -10.207 -2.707 1.576 1.00 0.00 N ATOM 320 CA ASP A 24 -10.628 -3.910 2.285 1.00 0.00 C ATOM 321 C ASP A 24 -11.666 -4.681 1.476 1.00 0.00 C ATOM 322 O ASP A 24 -12.563 -4.105 0.861 1.00 0.00 O ATOM 323 CB ASP A 24 -11.200 -3.546 3.656 1.00 0.00 C ATOM 324 CG ASP A 24 -11.129 -4.699 4.638 1.00 0.00 C ATOM 325 OD1 ASP A 24 -11.972 -5.614 4.539 1.00 0.00 O ATOM 326 OD2 ASP A 24 -10.230 -4.686 5.505 1.00 0.00 O ATOM 0 H ASP A 24 -10.761 -1.877 1.787 1.00 0.00 H new ATOM 0 HA ASP A 24 -9.754 -4.546 2.422 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -10.653 -2.694 4.060 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -12.238 -3.233 3.542 1.00 0.00 H new ATOM 331 N PRO A 25 -11.542 -6.017 1.474 1.00 0.00 N ATOM 332 CA PRO A 25 -12.460 -6.896 0.745 1.00 0.00 C ATOM 333 C PRO A 25 -13.851 -6.928 1.369 1.00 0.00 C ATOM 334 O PRO A 25 -14.789 -7.471 0.786 1.00 0.00 O ATOM 335 CB PRO A 25 -11.795 -8.271 0.851 1.00 0.00 C ATOM 336 CG PRO A 25 -10.967 -8.196 2.088 1.00 0.00 C ATOM 337 CD PRO A 25 -10.496 -6.771 2.186 1.00 0.00 C ATOM 0 HA PRO A 25 -12.616 -6.561 -0.280 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -12.538 -9.066 0.919 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -11.181 -8.483 -0.024 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -11.550 -8.475 2.965 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -10.123 -8.883 2.035 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -10.404 -6.449 3.223 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.518 -6.638 1.722 1.00 0.00 H new ATOM 345 N GLU A 26 -13.976 -6.343 2.555 1.00 0.00 N ATOM 346 CA GLU A 26 -15.254 -6.305 3.257 1.00 0.00 C ATOM 347 C GLU A 26 -16.075 -5.093 2.827 1.00 0.00 C ATOM 348 O GLU A 26 -17.306 -5.134 2.820 1.00 0.00 O ATOM 349 CB GLU A 26 -15.029 -6.272 4.770 1.00 0.00 C ATOM 350 CG GLU A 26 -14.498 -7.579 5.336 1.00 0.00 C ATOM 351 CD GLU A 26 -14.574 -7.633 6.849 1.00 0.00 C ATOM 352 OE1 GLU A 26 -15.667 -7.382 7.398 1.00 0.00 O ATOM 353 OE2 GLU A 26 -13.540 -7.925 7.485 1.00 0.00 O ATOM 0 H GLU A 26 -13.209 -5.889 3.050 1.00 0.00 H new ATOM 0 HA GLU A 26 -15.808 -7.207 2.999 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -14.328 -5.472 5.007 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -15.970 -6.028 5.263 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -15.067 -8.409 4.918 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -13.462 -7.712 5.023 1.00 0.00 H new ATOM 360 N HIS A 27 -15.385 -4.015 2.470 1.00 0.00 N ATOM 361 CA HIS A 27 -16.050 -2.790 2.039 1.00 0.00 C ATOM 362 C HIS A 27 -15.152 -1.984 1.105 1.00 0.00 C ATOM 363 O HIS A 27 -14.065 -1.556 1.493 1.00 0.00 O ATOM 364 CB HIS A 27 -16.439 -1.942 3.250 1.00 0.00 C ATOM 365 CG HIS A 27 -17.656 -2.442 3.965 1.00 0.00 C ATOM 366 ND1 HIS A 27 -17.604 -3.378 4.976 1.00 0.00 N ATOM 367 CD2 HIS A 27 -18.964 -2.128 3.812 1.00 0.00 C ATOM 368 CE1 HIS A 27 -18.827 -3.621 5.412 1.00 0.00 C ATOM 369 NE2 HIS A 27 -19.671 -2.874 4.722 1.00 0.00 N ATOM 0 H HIS A 27 -14.366 -3.964 2.470 1.00 0.00 H new ATOM 0 HA HIS A 27 -16.953 -3.068 1.495 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -15.603 -1.915 3.948 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -16.615 -0.917 2.924 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -19.375 -1.422 3.105 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -19.092 -4.312 6.198 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -20.683 -2.855 4.846 1.00 0.00 H new ATOM 378 N GLN A 28 -15.614 -1.782 -0.125 1.00 0.00 N ATOM 379 CA GLN A 28 -14.851 -1.029 -1.112 1.00 0.00 C ATOM 380 C GLN A 28 -14.791 0.450 -0.742 1.00 0.00 C ATOM 381 O GLN A 28 -15.532 0.913 0.125 1.00 0.00 O ATOM 382 CB GLN A 28 -15.470 -1.194 -2.501 1.00 0.00 C ATOM 383 CG GLN A 28 -15.274 -2.581 -3.093 1.00 0.00 C ATOM 384 CD GLN A 28 -13.996 -2.694 -3.902 1.00 0.00 C ATOM 385 OE1 GLN A 28 -13.123 -3.506 -3.593 1.00 0.00 O ATOM 386 NE2 GLN A 28 -13.881 -1.880 -4.944 1.00 0.00 N ATOM 0 H GLN A 28 -16.512 -2.129 -0.461 1.00 0.00 H new ATOM 0 HA GLN A 28 -13.835 -1.423 -1.125 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -16.537 -0.981 -2.442 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -15.034 -0.456 -3.174 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -15.257 -3.316 -2.289 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -16.125 -2.824 -3.729 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -14.630 -1.223 -5.163 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -13.044 -1.912 -5.526 1.00 0.00 H new ATOM 395 N SER A 29 -13.905 1.186 -1.406 1.00 0.00 N ATOM 396 CA SER A 29 -13.746 2.611 -1.143 1.00 0.00 C ATOM 397 C SER A 29 -13.281 2.851 0.290 1.00 0.00 C ATOM 398 O SER A 29 -13.530 3.910 0.866 1.00 0.00 O ATOM 399 CB SER A 29 -15.063 3.347 -1.394 1.00 0.00 C ATOM 400 OG SER A 29 -15.503 3.165 -2.729 1.00 0.00 O ATOM 0 H SER A 29 -13.287 0.819 -2.130 1.00 0.00 H new ATOM 0 HA SER A 29 -12.986 2.998 -1.822 1.00 0.00 H new ATOM 0 HB2 SER A 29 -15.824 2.982 -0.704 1.00 0.00 H new ATOM 0 HB3 SER A 29 -14.933 4.410 -1.192 1.00 0.00 H new ATOM 0 HG SER A 29 -16.347 3.644 -2.863 1.00 0.00 H new ATOM 406 N VAL A 30 -12.603 1.860 0.859 1.00 0.00 N ATOM 407 CA VAL A 30 -12.101 1.962 2.224 1.00 0.00 C ATOM 408 C VAL A 30 -10.617 1.619 2.292 1.00 0.00 C ATOM 409 O VAL A 30 -10.241 0.447 2.312 1.00 0.00 O ATOM 410 CB VAL A 30 -12.875 1.033 3.178 1.00 0.00 C ATOM 411 CG1 VAL A 30 -12.160 0.925 4.516 1.00 0.00 C ATOM 412 CG2 VAL A 30 -14.301 1.530 3.365 1.00 0.00 C ATOM 0 H VAL A 30 -12.389 0.977 0.396 1.00 0.00 H new ATOM 0 HA VAL A 30 -12.247 2.996 2.537 1.00 0.00 H new ATOM 0 HB VAL A 30 -12.916 0.038 2.734 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -12.722 0.265 5.177 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -11.160 0.520 4.362 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -12.085 1.913 4.969 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -14.833 0.862 4.042 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -14.284 2.535 3.786 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -14.809 1.550 2.401 1.00 0.00 H new ATOM 422 N TYR A 31 -9.779 2.648 2.327 1.00 0.00 N ATOM 423 CA TYR A 31 -8.335 2.456 2.390 1.00 0.00 C ATOM 424 C TYR A 31 -7.875 2.252 3.831 1.00 0.00 C ATOM 425 O TYR A 31 -8.212 3.037 4.719 1.00 0.00 O ATOM 426 CB TYR A 31 -7.612 3.657 1.777 1.00 0.00 C ATOM 427 CG TYR A 31 -8.082 3.998 0.382 1.00 0.00 C ATOM 428 CD1 TYR A 31 -8.124 3.031 -0.615 1.00 0.00 C ATOM 429 CD2 TYR A 31 -8.485 5.289 0.060 1.00 0.00 C ATOM 430 CE1 TYR A 31 -8.551 3.339 -1.892 1.00 0.00 C ATOM 431 CE2 TYR A 31 -8.916 5.606 -1.214 1.00 0.00 C ATOM 432 CZ TYR A 31 -8.947 4.628 -2.187 1.00 0.00 C ATOM 433 OH TYR A 31 -9.375 4.938 -3.457 1.00 0.00 O ATOM 0 H TYR A 31 -10.074 3.624 2.313 1.00 0.00 H new ATOM 0 HA TYR A 31 -8.088 1.561 1.818 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -7.755 4.524 2.422 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -6.542 3.452 1.751 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -7.817 2.021 -0.387 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -8.461 6.057 0.819 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -8.575 2.575 -2.655 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -9.227 6.614 -1.447 1.00 0.00 H new ATOM 0 HH TYR A 31 -9.618 5.886 -3.498 1.00 0.00 H new ATOM 443 N CYS A 32 -7.102 1.195 4.054 1.00 0.00 N ATOM 444 CA CYS A 32 -6.595 0.887 5.386 1.00 0.00 C ATOM 445 C CYS A 32 -5.105 0.567 5.340 1.00 0.00 C ATOM 446 O CYS A 32 -4.600 0.053 4.341 1.00 0.00 O ATOM 447 CB CYS A 32 -7.363 -0.291 5.987 1.00 0.00 C ATOM 448 SG CYS A 32 -6.806 -0.770 7.639 1.00 0.00 S ATOM 0 H CYS A 32 -6.813 0.537 3.330 1.00 0.00 H new ATOM 0 HA CYS A 32 -6.740 1.765 6.015 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -8.422 -0.035 6.032 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -7.270 -1.149 5.321 1.00 0.00 H new ATOM 0 HG CYS A 32 -7.643 -1.624 8.149 1.00 0.00 H new ATOM 454 N VAL A 33 -4.404 0.875 6.427 1.00 0.00 N ATOM 455 CA VAL A 33 -2.971 0.622 6.510 1.00 0.00 C ATOM 456 C VAL A 33 -2.682 -0.873 6.603 1.00 0.00 C ATOM 457 O VAL A 33 -3.075 -1.534 7.565 1.00 0.00 O ATOM 458 CB VAL A 33 -2.345 1.331 7.726 1.00 0.00 C ATOM 459 CG1 VAL A 33 -3.095 0.970 8.999 1.00 0.00 C ATOM 460 CG2 VAL A 33 -0.871 0.977 7.848 1.00 0.00 C ATOM 0 H VAL A 33 -4.806 1.300 7.262 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.526 1.020 5.598 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.426 2.408 7.578 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.639 1.480 9.847 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.136 1.278 8.908 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.048 -0.108 9.156 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.445 1.487 8.712 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.765 -0.101 7.973 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.346 1.291 6.946 1.00 0.00 H new ATOM 470 N LEU A 34 -1.992 -1.399 5.597 1.00 0.00 N ATOM 471 CA LEU A 34 -1.649 -2.817 5.565 1.00 0.00 C ATOM 472 C LEU A 34 -0.136 -3.011 5.558 1.00 0.00 C ATOM 473 O LEU A 34 0.619 -2.084 5.262 1.00 0.00 O ATOM 474 CB LEU A 34 -2.265 -3.483 4.333 1.00 0.00 C ATOM 475 CG LEU A 34 -3.739 -3.171 4.069 1.00 0.00 C ATOM 476 CD1 LEU A 34 -4.038 -3.232 2.579 1.00 0.00 C ATOM 477 CD2 LEU A 34 -4.633 -4.136 4.834 1.00 0.00 C ATOM 0 H LEU A 34 -1.659 -0.866 4.794 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.053 -3.284 6.463 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.689 -3.185 3.457 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.155 -4.563 4.435 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.946 -2.160 4.419 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.091 -3.007 2.410 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.422 -2.502 2.054 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.815 -4.231 2.204 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.678 -3.900 4.635 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.424 -5.157 4.514 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.438 -4.044 5.902 1.00 0.00 H new ATOM 489 N THR A 35 0.302 -4.223 5.885 1.00 0.00 N ATOM 490 CA THR A 35 1.724 -4.540 5.915 1.00 0.00 C ATOM 491 C THR A 35 1.995 -5.911 5.308 1.00 0.00 C ATOM 492 O THR A 35 1.270 -6.871 5.569 1.00 0.00 O ATOM 493 CB THR A 35 2.275 -4.509 7.353 1.00 0.00 C ATOM 494 OG1 THR A 35 2.133 -3.195 7.905 1.00 0.00 O ATOM 495 CG2 THR A 35 3.740 -4.920 7.380 1.00 0.00 C ATOM 0 H THR A 35 -0.309 -5.002 6.133 1.00 0.00 H new ATOM 0 HA THR A 35 2.231 -3.778 5.323 1.00 0.00 H new ATOM 0 HB THR A 35 1.703 -5.218 7.952 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.484 -3.185 8.820 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.107 -4.891 8.406 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.841 -5.932 6.987 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.322 -4.233 6.766 1.00 0.00 H new ATOM 503 N VAL A 36 3.045 -5.997 4.497 1.00 0.00 N ATOM 504 CA VAL A 36 3.413 -7.253 3.854 1.00 0.00 C ATOM 505 C VAL A 36 3.942 -8.257 4.871 1.00 0.00 C ATOM 506 O VAL A 36 4.996 -8.050 5.472 1.00 0.00 O ATOM 507 CB VAL A 36 4.478 -7.033 2.763 1.00 0.00 C ATOM 508 CG1 VAL A 36 4.778 -8.337 2.039 1.00 0.00 C ATOM 509 CG2 VAL A 36 4.024 -5.962 1.783 1.00 0.00 C ATOM 0 H VAL A 36 3.655 -5.212 4.270 1.00 0.00 H new ATOM 0 HA VAL A 36 2.508 -7.650 3.394 1.00 0.00 H new ATOM 0 HB VAL A 36 5.396 -6.690 3.240 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.532 -8.162 1.272 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.150 -9.072 2.753 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.867 -8.712 1.573 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.789 -5.820 1.019 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.092 -6.273 1.310 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.865 -5.025 2.316 1.00 0.00 H new ATOM 519 N ALA A 37 3.204 -9.346 5.059 1.00 0.00 N ATOM 520 CA ALA A 37 3.600 -10.384 6.002 1.00 0.00 C ATOM 521 C ALA A 37 4.243 -11.564 5.281 1.00 0.00 C ATOM 522 O ALA A 37 5.102 -12.248 5.836 1.00 0.00 O ATOM 523 CB ALA A 37 2.398 -10.849 6.811 1.00 0.00 C ATOM 0 H ALA A 37 2.328 -9.532 4.570 1.00 0.00 H new ATOM 0 HA ALA A 37 4.339 -9.960 6.682 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.709 -11.624 7.511 1.00 0.00 H new ATOM 0 HB2 ALA A 37 1.983 -10.006 7.364 1.00 0.00 H new ATOM 0 HB3 ALA A 37 1.640 -11.250 6.138 1.00 0.00 H new ATOM 529 N GLU A 38 3.821 -11.797 4.042 1.00 0.00 N ATOM 530 CA GLU A 38 4.355 -12.896 3.247 1.00 0.00 C ATOM 531 C GLU A 38 4.206 -12.611 1.756 1.00 0.00 C ATOM 532 O GLU A 38 3.299 -11.891 1.337 1.00 0.00 O ATOM 533 CB GLU A 38 3.645 -14.204 3.601 1.00 0.00 C ATOM 534 CG GLU A 38 4.501 -15.440 3.383 1.00 0.00 C ATOM 535 CD GLU A 38 3.686 -16.719 3.367 1.00 0.00 C ATOM 536 OE1 GLU A 38 2.945 -16.961 4.343 1.00 0.00 O ATOM 537 OE2 GLU A 38 3.788 -17.477 2.380 1.00 0.00 O ATOM 0 H GLU A 38 3.111 -11.239 3.567 1.00 0.00 H new ATOM 0 HA GLU A 38 5.416 -12.994 3.476 1.00 0.00 H new ATOM 0 HB2 GLU A 38 3.334 -14.168 4.645 1.00 0.00 H new ATOM 0 HB3 GLU A 38 2.739 -14.290 3.001 1.00 0.00 H new ATOM 0 HG2 GLU A 38 5.038 -15.344 2.439 1.00 0.00 H new ATOM 0 HG3 GLU A 38 5.251 -15.501 4.171 1.00 0.00 H new ATOM 544 N VAL A 39 5.104 -13.180 0.958 1.00 0.00 N ATOM 545 CA VAL A 39 5.074 -12.989 -0.487 1.00 0.00 C ATOM 546 C VAL A 39 5.314 -14.304 -1.221 1.00 0.00 C ATOM 547 O VAL A 39 6.094 -15.144 -0.771 1.00 0.00 O ATOM 548 CB VAL A 39 6.128 -11.961 -0.940 1.00 0.00 C ATOM 549 CG1 VAL A 39 6.054 -11.748 -2.444 1.00 0.00 C ATOM 550 CG2 VAL A 39 5.942 -10.646 -0.197 1.00 0.00 C ATOM 0 H VAL A 39 5.862 -13.777 1.288 1.00 0.00 H new ATOM 0 HA VAL A 39 4.081 -12.614 -0.735 1.00 0.00 H new ATOM 0 HB VAL A 39 7.117 -12.351 -0.701 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.806 -11.019 -2.746 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.240 -12.693 -2.955 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.064 -11.380 -2.711 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.695 -9.931 -0.529 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.948 -10.249 -0.403 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.050 -10.815 0.874 1.00 0.00 H new ATOM 560 N CYS A 40 4.640 -14.475 -2.353 1.00 0.00 N ATOM 561 CA CYS A 40 4.780 -15.688 -3.150 1.00 0.00 C ATOM 562 C CYS A 40 4.034 -15.558 -4.474 1.00 0.00 C ATOM 563 O CYS A 40 3.175 -14.691 -4.632 1.00 0.00 O ATOM 564 CB CYS A 40 4.256 -16.897 -2.373 1.00 0.00 C ATOM 565 SG CYS A 40 4.844 -18.488 -3.000 1.00 0.00 S ATOM 0 H CYS A 40 3.991 -13.789 -2.739 1.00 0.00 H new ATOM 0 HA CYS A 40 5.839 -15.833 -3.363 1.00 0.00 H new ATOM 0 HB2 CYS A 40 4.550 -16.799 -1.328 1.00 0.00 H new ATOM 0 HB3 CYS A 40 3.166 -16.888 -2.400 1.00 0.00 H new ATOM 0 HG CYS A 40 4.349 -19.449 -2.278 1.00 0.00 H new ATOM 571 N GLY A 41 4.371 -16.424 -5.425 1.00 0.00 N ATOM 572 CA GLY A 41 3.725 -16.388 -6.724 1.00 0.00 C ATOM 573 C GLY A 41 3.374 -14.978 -7.158 1.00 0.00 C ATOM 574 O GLY A 41 4.116 -14.034 -6.883 1.00 0.00 O ATOM 0 H GLY A 41 5.080 -17.150 -5.319 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.383 -16.840 -7.466 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.818 -16.992 -6.692 1.00 0.00 H new ATOM 578 N TYR A 42 2.243 -14.835 -7.839 1.00 0.00 N ATOM 579 CA TYR A 42 1.798 -13.531 -8.315 1.00 0.00 C ATOM 580 C TYR A 42 0.816 -12.898 -7.334 1.00 0.00 C ATOM 581 O TYR A 42 -0.108 -12.189 -7.733 1.00 0.00 O ATOM 582 CB TYR A 42 1.145 -13.663 -9.692 1.00 0.00 C ATOM 583 CG TYR A 42 1.304 -12.434 -10.558 1.00 0.00 C ATOM 584 CD1 TYR A 42 0.395 -11.385 -10.484 1.00 0.00 C ATOM 585 CD2 TYR A 42 2.363 -12.321 -11.451 1.00 0.00 C ATOM 586 CE1 TYR A 42 0.536 -10.261 -11.274 1.00 0.00 C ATOM 587 CE2 TYR A 42 2.512 -11.199 -12.244 1.00 0.00 C ATOM 588 CZ TYR A 42 1.596 -10.172 -12.152 1.00 0.00 C ATOM 589 OH TYR A 42 1.740 -9.053 -12.939 1.00 0.00 O ATOM 0 H TYR A 42 1.618 -15.606 -8.074 1.00 0.00 H new ATOM 0 HA TYR A 42 2.672 -12.885 -8.394 1.00 0.00 H new ATOM 0 HB2 TYR A 42 1.577 -14.520 -10.209 1.00 0.00 H new ATOM 0 HB3 TYR A 42 0.083 -13.871 -9.563 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -0.436 -11.450 -9.797 1.00 0.00 H new ATOM 0 HD2 TYR A 42 3.082 -13.124 -11.526 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -0.180 -9.456 -11.205 1.00 0.00 H new ATOM 0 HE2 TYR A 42 3.341 -11.127 -12.932 1.00 0.00 H new ATOM 0 HH TYR A 42 1.815 -8.260 -12.369 1.00 0.00 H new ATOM 599 N ARG A 43 1.024 -13.160 -6.047 1.00 0.00 N ATOM 600 CA ARG A 43 0.158 -12.618 -5.007 1.00 0.00 C ATOM 601 C ARG A 43 0.943 -12.365 -3.724 1.00 0.00 C ATOM 602 O ARG A 43 1.828 -13.141 -3.363 1.00 0.00 O ATOM 603 CB ARG A 43 -1.002 -13.576 -4.729 1.00 0.00 C ATOM 604 CG ARG A 43 -2.186 -13.387 -5.663 1.00 0.00 C ATOM 605 CD ARG A 43 -3.270 -14.422 -5.405 1.00 0.00 C ATOM 606 NE ARG A 43 -2.868 -15.756 -5.840 1.00 0.00 N ATOM 607 CZ ARG A 43 -3.391 -16.877 -5.356 1.00 0.00 C ATOM 608 NH1 ARG A 43 -4.334 -16.823 -4.425 1.00 0.00 N ATOM 609 NH2 ARG A 43 -2.973 -18.054 -5.803 1.00 0.00 N ATOM 0 H ARG A 43 1.785 -13.744 -5.700 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.242 -11.668 -5.360 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -0.643 -14.602 -4.814 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.336 -13.440 -3.700 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.598 -12.386 -5.532 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.850 -13.460 -6.697 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -3.505 -14.443 -4.341 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -4.181 -14.130 -5.927 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.145 -15.832 -6.556 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -4.659 -15.920 -4.080 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -4.735 -17.685 -4.054 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -2.249 -18.099 -6.520 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -3.376 -18.914 -5.430 1.00 0.00 H new ATOM 623 N ILE A 44 0.612 -11.275 -3.039 1.00 0.00 N ATOM 624 CA ILE A 44 1.286 -10.921 -1.796 1.00 0.00 C ATOM 625 C ILE A 44 0.308 -10.905 -0.626 1.00 0.00 C ATOM 626 O ILE A 44 -0.829 -10.451 -0.759 1.00 0.00 O ATOM 627 CB ILE A 44 1.969 -9.545 -1.898 1.00 0.00 C ATOM 628 CG1 ILE A 44 0.942 -8.466 -2.247 1.00 0.00 C ATOM 629 CG2 ILE A 44 3.081 -9.581 -2.936 1.00 0.00 C ATOM 630 CD1 ILE A 44 1.494 -7.059 -2.171 1.00 0.00 C ATOM 0 H ILE A 44 -0.118 -10.622 -3.324 1.00 0.00 H new ATOM 0 HA ILE A 44 2.046 -11.683 -1.621 1.00 0.00 H new ATOM 0 HB ILE A 44 2.409 -9.302 -0.931 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.566 -8.646 -3.254 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.093 -8.551 -1.569 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.554 -8.601 -2.996 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.823 -10.325 -2.648 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.663 -9.843 -3.908 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.711 -6.346 -2.431 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.844 -6.860 -1.158 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.325 -6.956 -2.869 1.00 0.00 H new ATOM 642 N LYS A 45 0.757 -11.401 0.521 1.00 0.00 N ATOM 643 CA LYS A 45 -0.076 -11.442 1.717 1.00 0.00 C ATOM 644 C LYS A 45 -0.303 -10.038 2.269 1.00 0.00 C ATOM 645 O LYS A 45 0.635 -9.248 2.391 1.00 0.00 O ATOM 646 CB LYS A 45 0.573 -12.323 2.786 1.00 0.00 C ATOM 647 CG LYS A 45 -0.406 -12.836 3.828 1.00 0.00 C ATOM 648 CD LYS A 45 0.220 -13.913 4.698 1.00 0.00 C ATOM 649 CE LYS A 45 -0.653 -14.233 5.903 1.00 0.00 C ATOM 650 NZ LYS A 45 -0.354 -13.341 7.057 1.00 0.00 N ATOM 0 H LYS A 45 1.695 -11.781 0.648 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.042 -11.867 1.443 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.054 -13.173 2.302 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.358 -11.755 3.286 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.739 -12.009 4.455 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -1.290 -13.236 3.332 1.00 0.00 H new ATOM 0 HD2 LYS A 45 0.372 -14.816 4.107 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.203 -13.584 5.036 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.703 -14.131 5.628 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.499 -15.271 6.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.205 -13.238 7.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.412 -13.754 7.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -0.060 -12.407 6.707 1.00 0.00 H new ATOM 664 N LEU A 46 -1.552 -9.734 2.604 1.00 0.00 N ATOM 665 CA LEU A 46 -1.902 -8.425 3.145 1.00 0.00 C ATOM 666 C LEU A 46 -2.389 -8.545 4.586 1.00 0.00 C ATOM 667 O LEU A 46 -3.409 -9.178 4.857 1.00 0.00 O ATOM 668 CB LEU A 46 -2.981 -7.767 2.283 1.00 0.00 C ATOM 669 CG LEU A 46 -2.493 -7.079 1.008 1.00 0.00 C ATOM 670 CD1 LEU A 46 -1.558 -5.928 1.346 1.00 0.00 C ATOM 671 CD2 LEU A 46 -1.802 -8.079 0.093 1.00 0.00 C ATOM 0 H LEU A 46 -2.339 -10.376 2.511 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.007 -7.803 3.133 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.710 -8.528 2.005 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.505 -7.030 2.892 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.358 -6.674 0.483 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.221 -5.451 0.426 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.086 -5.199 1.961 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.696 -6.308 1.894 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.461 -7.571 -0.809 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.946 -8.514 0.610 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.503 -8.869 -0.178 1.00 0.00 H new ATOM 683 N HIS A 47 -1.653 -7.930 5.507 1.00 0.00 N ATOM 684 CA HIS A 47 -2.011 -7.965 6.920 1.00 0.00 C ATOM 685 C HIS A 47 -2.541 -6.610 7.380 1.00 0.00 C ATOM 686 O HIS A 47 -2.317 -5.590 6.727 1.00 0.00 O ATOM 687 CB HIS A 47 -0.802 -8.366 7.765 1.00 0.00 C ATOM 688 CG HIS A 47 -0.996 -8.143 9.233 1.00 0.00 C ATOM 689 ND1 HIS A 47 -1.949 -8.808 9.976 1.00 0.00 N ATOM 690 CD2 HIS A 47 -0.352 -7.324 10.097 1.00 0.00 C ATOM 691 CE1 HIS A 47 -1.883 -8.406 11.233 1.00 0.00 C ATOM 692 NE2 HIS A 47 -0.922 -7.506 11.333 1.00 0.00 N ATOM 0 H HIS A 47 -0.805 -7.402 5.300 1.00 0.00 H new ATOM 0 HA HIS A 47 -2.798 -8.707 7.051 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -0.582 -9.419 7.592 1.00 0.00 H new ATOM 0 HB3 HIS A 47 0.068 -7.800 7.432 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -2.602 -9.502 9.612 1.00 0.00 H new ATOM 0 HD2 HIS A 47 0.459 -6.652 9.859 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -2.509 -8.754 12.041 1.00 0.00 H new ATOM 701 N PHE A 48 -3.244 -6.606 8.508 1.00 0.00 N ATOM 702 CA PHE A 48 -3.807 -5.377 9.054 1.00 0.00 C ATOM 703 C PHE A 48 -3.094 -4.978 10.343 1.00 0.00 C ATOM 704 O PHE A 48 -2.849 -5.813 11.213 1.00 0.00 O ATOM 705 CB PHE A 48 -5.304 -5.550 9.319 1.00 0.00 C ATOM 706 CG PHE A 48 -6.139 -5.535 8.070 1.00 0.00 C ATOM 707 CD1 PHE A 48 -6.395 -6.707 7.377 1.00 0.00 C ATOM 708 CD2 PHE A 48 -6.668 -4.348 7.590 1.00 0.00 C ATOM 709 CE1 PHE A 48 -7.163 -6.696 6.228 1.00 0.00 C ATOM 710 CE2 PHE A 48 -7.438 -4.331 6.442 1.00 0.00 C ATOM 711 CZ PHE A 48 -7.685 -5.506 5.760 1.00 0.00 C ATOM 0 H PHE A 48 -3.437 -7.441 9.062 1.00 0.00 H new ATOM 0 HA PHE A 48 -3.664 -4.584 8.320 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.466 -6.492 9.843 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -5.642 -4.754 9.982 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -5.990 -7.640 7.739 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -6.477 -3.426 8.118 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -7.355 -7.617 5.697 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -7.846 -3.399 6.079 1.00 0.00 H new ATOM 0 HZ PHE A 48 -8.285 -5.494 4.862 1.00 0.00 H new ATOM 721 N ASP A 49 -2.764 -3.696 10.456 1.00 0.00 N ATOM 722 CA ASP A 49 -2.079 -3.185 11.638 1.00 0.00 C ATOM 723 C ASP A 49 -2.984 -3.256 12.864 1.00 0.00 C ATOM 724 O ASP A 49 -4.120 -2.784 12.837 1.00 0.00 O ATOM 725 CB ASP A 49 -1.625 -1.743 11.407 1.00 0.00 C ATOM 726 CG ASP A 49 -0.645 -1.268 12.461 1.00 0.00 C ATOM 727 OD1 ASP A 49 -0.530 -1.938 13.509 1.00 0.00 O ATOM 728 OD2 ASP A 49 0.007 -0.226 12.240 1.00 0.00 O ATOM 0 H ASP A 49 -2.960 -2.992 9.744 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.204 -3.809 11.818 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.162 -1.664 10.423 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.496 -1.087 11.403 1.00 0.00 H new ATOM 733 N GLY A 50 -2.473 -3.850 13.938 1.00 0.00 N ATOM 734 CA GLY A 50 -3.249 -3.973 15.158 1.00 0.00 C ATOM 735 C GLY A 50 -4.197 -5.155 15.125 1.00 0.00 C ATOM 736 O GLY A 50 -4.266 -5.932 16.078 1.00 0.00 O ATOM 0 H GLY A 50 -1.535 -4.248 13.985 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.573 -4.077 16.006 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.820 -3.058 15.316 1.00 0.00 H new ATOM 740 N TYR A 51 -4.932 -5.292 14.026 1.00 0.00 N ATOM 741 CA TYR A 51 -5.884 -6.385 13.875 1.00 0.00 C ATOM 742 C TYR A 51 -5.167 -7.731 13.840 1.00 0.00 C ATOM 743 O TYR A 51 -4.002 -7.817 13.452 1.00 0.00 O ATOM 744 CB TYR A 51 -6.707 -6.200 12.599 1.00 0.00 C ATOM 745 CG TYR A 51 -7.617 -4.993 12.636 1.00 0.00 C ATOM 746 CD1 TYR A 51 -7.144 -3.731 12.299 1.00 0.00 C ATOM 747 CD2 TYR A 51 -8.951 -5.115 13.006 1.00 0.00 C ATOM 748 CE1 TYR A 51 -7.972 -2.625 12.332 1.00 0.00 C ATOM 749 CE2 TYR A 51 -9.787 -4.015 13.041 1.00 0.00 C ATOM 750 CZ TYR A 51 -9.292 -2.773 12.703 1.00 0.00 C ATOM 751 OH TYR A 51 -10.121 -1.674 12.736 1.00 0.00 O ATOM 0 H TYR A 51 -4.886 -4.659 13.227 1.00 0.00 H new ATOM 0 HA TYR A 51 -6.553 -6.372 14.736 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -6.030 -6.108 11.750 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -7.309 -7.093 12.432 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -6.111 -3.612 12.006 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -9.341 -6.087 13.271 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -7.588 -1.651 12.069 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -10.821 -4.127 13.331 1.00 0.00 H new ATOM 0 HH TYR A 51 -11.019 -1.950 13.016 1.00 0.00 H new ATOM 761 N SER A 52 -5.873 -8.781 14.247 1.00 0.00 N ATOM 762 CA SER A 52 -5.305 -10.124 14.265 1.00 0.00 C ATOM 763 C SER A 52 -4.933 -10.576 12.856 1.00 0.00 C ATOM 764 O SER A 52 -5.520 -10.125 11.872 1.00 0.00 O ATOM 765 CB SER A 52 -6.295 -11.112 14.885 1.00 0.00 C ATOM 766 OG SER A 52 -6.128 -11.187 16.290 1.00 0.00 O ATOM 0 H SER A 52 -6.839 -8.728 14.569 1.00 0.00 H new ATOM 0 HA SER A 52 -4.399 -10.100 14.871 1.00 0.00 H new ATOM 0 HB2 SER A 52 -7.315 -10.804 14.653 1.00 0.00 H new ATOM 0 HB3 SER A 52 -6.152 -12.099 14.445 1.00 0.00 H new ATOM 0 HG SER A 52 -6.773 -11.824 16.663 1.00 0.00 H new ATOM 772 N ASP A 53 -3.953 -11.469 12.768 1.00 0.00 N ATOM 773 CA ASP A 53 -3.502 -11.984 11.480 1.00 0.00 C ATOM 774 C ASP A 53 -4.363 -13.162 11.034 1.00 0.00 C ATOM 775 O ASP A 53 -3.878 -14.086 10.380 1.00 0.00 O ATOM 776 CB ASP A 53 -2.036 -12.411 11.563 1.00 0.00 C ATOM 777 CG ASP A 53 -1.184 -11.412 12.322 1.00 0.00 C ATOM 778 OD1 ASP A 53 -1.443 -11.207 13.526 1.00 0.00 O ATOM 779 OD2 ASP A 53 -0.259 -10.836 11.711 1.00 0.00 O ATOM 0 H ASP A 53 -3.456 -11.851 13.573 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.599 -11.187 10.743 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -1.971 -13.384 12.050 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.638 -12.532 10.555 1.00 0.00 H new ATOM 784 N CYS A 54 -5.642 -13.122 11.392 1.00 0.00 N ATOM 785 CA CYS A 54 -6.570 -14.187 11.030 1.00 0.00 C ATOM 786 C CYS A 54 -7.337 -13.832 9.760 1.00 0.00 C ATOM 787 O CYS A 54 -7.621 -14.697 8.931 1.00 0.00 O ATOM 788 CB CYS A 54 -7.550 -14.449 12.175 1.00 0.00 C ATOM 789 SG CYS A 54 -8.595 -15.905 11.934 1.00 0.00 S ATOM 0 H CYS A 54 -6.059 -12.364 11.932 1.00 0.00 H new ATOM 0 HA CYS A 54 -5.991 -15.091 10.842 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -6.987 -14.568 13.101 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -8.188 -13.574 12.300 1.00 0.00 H new ATOM 0 HG CYS A 54 -9.388 -16.044 12.955 1.00 0.00 H new ATOM 795 N TYR A 55 -7.671 -12.554 9.615 1.00 0.00 N ATOM 796 CA TYR A 55 -8.409 -12.085 8.448 1.00 0.00 C ATOM 797 C TYR A 55 -7.455 -11.604 7.358 1.00 0.00 C ATOM 798 O TYR A 55 -7.730 -10.624 6.666 1.00 0.00 O ATOM 799 CB TYR A 55 -9.362 -10.955 8.842 1.00 0.00 C ATOM 800 CG TYR A 55 -10.139 -11.233 10.109 1.00 0.00 C ATOM 801 CD1 TYR A 55 -11.347 -11.918 10.071 1.00 0.00 C ATOM 802 CD2 TYR A 55 -9.664 -10.811 11.345 1.00 0.00 C ATOM 803 CE1 TYR A 55 -12.060 -12.173 11.226 1.00 0.00 C ATOM 804 CE2 TYR A 55 -10.370 -11.063 12.505 1.00 0.00 C ATOM 805 CZ TYR A 55 -11.568 -11.744 12.440 1.00 0.00 C ATOM 806 OH TYR A 55 -12.275 -11.997 13.593 1.00 0.00 O ATOM 0 H TYR A 55 -7.442 -11.825 10.291 1.00 0.00 H new ATOM 0 HA TYR A 55 -8.989 -12.920 8.056 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -8.790 -10.036 8.971 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -10.064 -10.781 8.026 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -11.735 -12.257 9.122 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -8.727 -10.277 11.399 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -12.998 -12.706 11.178 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -9.986 -10.729 13.458 1.00 0.00 H new ATOM 0 HH TYR A 55 -11.790 -11.629 14.361 1.00 0.00 H new ATOM 816 N ASP A 56 -6.334 -12.302 7.212 1.00 0.00 N ATOM 817 CA ASP A 56 -5.340 -11.948 6.206 1.00 0.00 C ATOM 818 C ASP A 56 -5.750 -12.468 4.831 1.00 0.00 C ATOM 819 O ASP A 56 -6.213 -13.600 4.697 1.00 0.00 O ATOM 820 CB ASP A 56 -3.971 -12.512 6.590 1.00 0.00 C ATOM 821 CG ASP A 56 -3.483 -11.987 7.926 1.00 0.00 C ATOM 822 OD1 ASP A 56 -3.752 -10.807 8.233 1.00 0.00 O ATOM 823 OD2 ASP A 56 -2.832 -12.755 8.664 1.00 0.00 O ATOM 0 H ASP A 56 -6.091 -13.116 7.777 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.277 -10.861 6.160 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -4.027 -13.600 6.629 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -3.246 -12.258 5.816 1.00 0.00 H new ATOM 828 N PHE A 57 -5.576 -11.632 3.812 1.00 0.00 N ATOM 829 CA PHE A 57 -5.930 -12.006 2.448 1.00 0.00 C ATOM 830 C PHE A 57 -4.791 -11.688 1.484 1.00 0.00 C ATOM 831 O PHE A 57 -3.866 -10.949 1.822 1.00 0.00 O ATOM 832 CB PHE A 57 -7.202 -11.276 2.010 1.00 0.00 C ATOM 833 CG PHE A 57 -7.141 -9.789 2.214 1.00 0.00 C ATOM 834 CD1 PHE A 57 -6.254 -9.013 1.485 1.00 0.00 C ATOM 835 CD2 PHE A 57 -7.969 -9.168 3.135 1.00 0.00 C ATOM 836 CE1 PHE A 57 -6.195 -7.644 1.669 1.00 0.00 C ATOM 837 CE2 PHE A 57 -7.915 -7.800 3.323 1.00 0.00 C ATOM 838 CZ PHE A 57 -7.026 -7.038 2.591 1.00 0.00 C ATOM 0 H PHE A 57 -5.192 -10.692 3.905 1.00 0.00 H new ATOM 0 HA PHE A 57 -6.111 -13.081 2.428 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -7.385 -11.483 0.956 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -8.050 -11.676 2.565 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -5.601 -9.483 0.765 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -8.664 -9.759 3.712 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -5.501 -7.050 1.093 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -8.568 -7.327 4.042 1.00 0.00 H new ATOM 0 HZ PHE A 57 -6.980 -5.969 2.739 1.00 0.00 H new ATOM 848 N TRP A 58 -4.865 -12.251 0.284 1.00 0.00 N ATOM 849 CA TRP A 58 -3.839 -12.029 -0.729 1.00 0.00 C ATOM 850 C TRP A 58 -4.413 -11.285 -1.930 1.00 0.00 C ATOM 851 O TRP A 58 -5.386 -11.729 -2.541 1.00 0.00 O ATOM 852 CB TRP A 58 -3.239 -13.362 -1.178 1.00 0.00 C ATOM 853 CG TRP A 58 -2.499 -14.077 -0.089 1.00 0.00 C ATOM 854 CD1 TRP A 58 -3.016 -14.533 1.090 1.00 0.00 C ATOM 855 CD2 TRP A 58 -1.109 -14.417 -0.078 1.00 0.00 C ATOM 856 NE1 TRP A 58 -2.030 -15.136 1.834 1.00 0.00 N ATOM 857 CE2 TRP A 58 -0.851 -15.078 1.139 1.00 0.00 C ATOM 858 CE3 TRP A 58 -0.056 -14.229 -0.977 1.00 0.00 C ATOM 859 CZ2 TRP A 58 0.415 -15.549 1.477 1.00 0.00 C ATOM 860 CZ3 TRP A 58 1.200 -14.696 -0.641 1.00 0.00 C ATOM 861 CH2 TRP A 58 1.427 -15.351 0.577 1.00 0.00 C ATOM 0 H TRP A 58 -5.624 -12.865 -0.012 1.00 0.00 H new ATOM 0 HA TRP A 58 -3.053 -11.416 -0.287 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -4.037 -14.005 -1.548 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -2.561 -13.184 -2.012 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -4.048 -14.434 1.393 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -2.156 -15.558 2.754 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -0.221 -13.727 -1.919 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 0.592 -16.053 2.416 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 2.021 -14.554 -1.328 1.00 0.00 H new ATOM 0 HH2 TRP A 58 2.420 -15.706 0.810 1.00 0.00 H new ATOM 872 N VAL A 59 -3.806 -10.151 -2.264 1.00 0.00 N ATOM 873 CA VAL A 59 -4.256 -9.346 -3.394 1.00 0.00 C ATOM 874 C VAL A 59 -3.295 -9.466 -4.572 1.00 0.00 C ATOM 875 O VAL A 59 -2.264 -10.130 -4.479 1.00 0.00 O ATOM 876 CB VAL A 59 -4.393 -7.862 -3.006 1.00 0.00 C ATOM 877 CG1 VAL A 59 -5.348 -7.702 -1.833 1.00 0.00 C ATOM 878 CG2 VAL A 59 -3.031 -7.269 -2.680 1.00 0.00 C ATOM 0 H VAL A 59 -3.001 -9.768 -1.768 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.234 -9.729 -3.686 1.00 0.00 H new ATOM 0 HB VAL A 59 -4.806 -7.319 -3.856 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.432 -6.647 -1.573 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.330 -8.087 -2.108 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.968 -8.257 -0.976 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -3.147 -6.220 -2.408 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -2.587 -7.813 -1.846 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.382 -7.348 -3.552 1.00 0.00 H new ATOM 888 N ASN A 60 -3.642 -8.818 -5.679 1.00 0.00 N ATOM 889 CA ASN A 60 -2.810 -8.851 -6.876 1.00 0.00 C ATOM 890 C ASN A 60 -1.545 -8.020 -6.683 1.00 0.00 C ATOM 891 O ASN A 60 -1.613 -6.825 -6.399 1.00 0.00 O ATOM 892 CB ASN A 60 -3.595 -8.333 -8.083 1.00 0.00 C ATOM 893 CG ASN A 60 -4.949 -9.002 -8.222 1.00 0.00 C ATOM 894 OD1 ASN A 60 -5.048 -10.136 -8.690 1.00 0.00 O ATOM 895 ND2 ASN A 60 -6.000 -8.300 -7.815 1.00 0.00 N ATOM 0 H ASN A 60 -4.493 -8.264 -5.772 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.519 -9.886 -7.057 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.733 -7.256 -7.988 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.015 -8.502 -8.990 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.937 -8.698 -7.884 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.871 -7.363 -7.433 1.00 0.00 H new ATOM 902 N ALA A 61 -0.392 -8.662 -6.840 1.00 0.00 N ATOM 903 CA ALA A 61 0.888 -7.982 -6.686 1.00 0.00 C ATOM 904 C ALA A 61 0.848 -6.589 -7.306 1.00 0.00 C ATOM 905 O ALA A 61 1.397 -5.637 -6.752 1.00 0.00 O ATOM 906 CB ALA A 61 2.003 -8.808 -7.311 1.00 0.00 C ATOM 0 H ALA A 61 -0.318 -9.652 -7.074 1.00 0.00 H new ATOM 0 HA ALA A 61 1.086 -7.871 -5.620 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.953 -8.288 -7.189 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.055 -9.780 -6.820 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.800 -8.949 -8.373 1.00 0.00 H new ATOM 912 N ASP A 62 0.195 -6.478 -8.457 1.00 0.00 N ATOM 913 CA ASP A 62 0.083 -5.201 -9.152 1.00 0.00 C ATOM 914 C ASP A 62 -1.359 -4.703 -9.146 1.00 0.00 C ATOM 915 O ASP A 62 -1.875 -4.251 -10.168 1.00 0.00 O ATOM 916 CB ASP A 62 0.583 -5.333 -10.592 1.00 0.00 C ATOM 917 CG ASP A 62 1.901 -6.078 -10.680 1.00 0.00 C ATOM 918 OD1 ASP A 62 1.882 -7.326 -10.631 1.00 0.00 O ATOM 919 OD2 ASP A 62 2.951 -5.413 -10.798 1.00 0.00 O ATOM 0 H ASP A 62 -0.265 -7.257 -8.929 1.00 0.00 H new ATOM 0 HA ASP A 62 0.702 -4.475 -8.626 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -0.166 -5.854 -11.188 1.00 0.00 H new ATOM 0 HB3 ASP A 62 0.700 -4.340 -11.026 1.00 0.00 H new ATOM 924 N ALA A 63 -2.006 -4.792 -7.988 1.00 0.00 N ATOM 925 CA ALA A 63 -3.388 -4.350 -7.849 1.00 0.00 C ATOM 926 C ALA A 63 -3.480 -2.828 -7.848 1.00 0.00 C ATOM 927 O ALA A 63 -2.477 -2.135 -7.673 1.00 0.00 O ATOM 928 CB ALA A 63 -3.998 -4.919 -6.576 1.00 0.00 C ATOM 0 H ALA A 63 -1.595 -5.166 -7.133 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.951 -4.721 -8.706 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -5.030 -4.581 -6.485 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -3.975 -6.008 -6.617 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -3.426 -4.576 -5.714 1.00 0.00 H new ATOM 934 N LEU A 64 -4.689 -2.313 -8.045 1.00 0.00 N ATOM 935 CA LEU A 64 -4.912 -0.872 -8.068 1.00 0.00 C ATOM 936 C LEU A 64 -5.386 -0.373 -6.706 1.00 0.00 C ATOM 937 O LEU A 64 -5.097 0.757 -6.313 1.00 0.00 O ATOM 938 CB LEU A 64 -5.941 -0.512 -9.142 1.00 0.00 C ATOM 939 CG LEU A 64 -5.662 -1.050 -10.545 1.00 0.00 C ATOM 940 CD1 LEU A 64 -6.898 -0.924 -11.421 1.00 0.00 C ATOM 941 CD2 LEU A 64 -4.484 -0.318 -11.173 1.00 0.00 C ATOM 0 H LEU A 64 -5.530 -2.872 -8.191 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.965 -0.386 -8.304 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.916 -0.879 -8.821 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.013 0.574 -9.199 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.406 -2.106 -10.463 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.680 -1.312 -12.416 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.716 -1.494 -10.980 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -7.186 0.125 -11.496 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.300 -0.714 -12.172 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.711 0.746 -11.241 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.596 -0.461 -10.557 1.00 0.00 H new ATOM 953 N ASP A 65 -6.113 -1.224 -5.991 1.00 0.00 N ATOM 954 CA ASP A 65 -6.624 -0.871 -4.671 1.00 0.00 C ATOM 955 C ASP A 65 -5.484 -0.493 -3.730 1.00 0.00 C ATOM 956 O ASP A 65 -5.639 0.372 -2.868 1.00 0.00 O ATOM 957 CB ASP A 65 -7.424 -2.034 -4.083 1.00 0.00 C ATOM 958 CG ASP A 65 -6.906 -3.383 -4.540 1.00 0.00 C ATOM 959 OD1 ASP A 65 -7.156 -3.751 -5.707 1.00 0.00 O ATOM 960 OD2 ASP A 65 -6.249 -4.070 -3.730 1.00 0.00 O ATOM 0 H ASP A 65 -6.362 -2.163 -6.303 1.00 0.00 H new ATOM 0 HA ASP A 65 -7.281 -0.008 -4.781 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.386 -1.983 -2.995 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -8.470 -1.933 -4.371 1.00 0.00 H new ATOM 965 N ILE A 66 -4.341 -1.149 -3.901 1.00 0.00 N ATOM 966 CA ILE A 66 -3.176 -0.882 -3.067 1.00 0.00 C ATOM 967 C ILE A 66 -2.470 0.398 -3.502 1.00 0.00 C ATOM 968 O ILE A 66 -2.548 0.798 -4.664 1.00 0.00 O ATOM 969 CB ILE A 66 -2.173 -2.049 -3.111 1.00 0.00 C ATOM 970 CG1 ILE A 66 -1.634 -2.234 -4.531 1.00 0.00 C ATOM 971 CG2 ILE A 66 -2.828 -3.330 -2.617 1.00 0.00 C ATOM 972 CD1 ILE A 66 -0.754 -3.454 -4.690 1.00 0.00 C ATOM 0 H ILE A 66 -4.197 -1.869 -4.609 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.539 -0.764 -2.046 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.337 -1.814 -2.452 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.473 -2.309 -5.222 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.066 -1.347 -4.814 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.106 -4.146 -2.654 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.168 -3.193 -1.590 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.681 -3.571 -3.252 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.408 -3.521 -5.722 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.105 -3.372 -4.024 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.324 -4.349 -4.439 1.00 0.00 H new ATOM 984 N HIS A 67 -1.779 1.035 -2.562 1.00 0.00 N ATOM 985 CA HIS A 67 -1.056 2.269 -2.849 1.00 0.00 C ATOM 986 C HIS A 67 0.134 2.432 -1.909 1.00 0.00 C ATOM 987 O HIS A 67 0.154 1.906 -0.796 1.00 0.00 O ATOM 988 CB HIS A 67 -1.990 3.473 -2.722 1.00 0.00 C ATOM 989 CG HIS A 67 -3.013 3.555 -3.812 1.00 0.00 C ATOM 990 ND1 HIS A 67 -4.290 3.108 -3.864 1.00 0.00 N flip ATOM 991 CD2 HIS A 67 -2.769 4.155 -5.030 1.00 0.00 C flip ATOM 992 CE1 HIS A 67 -4.789 3.443 -5.099 1.00 0.00 C flip ATOM 993 NE2 HIS A 67 -3.852 4.074 -5.783 1.00 0.00 N flip ATOM 0 H HIS A 67 -1.704 0.717 -1.596 1.00 0.00 H new ATOM 0 HA HIS A 67 -0.684 2.214 -3.872 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -2.500 3.427 -1.760 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -1.395 4.386 -2.724 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -4.789 2.614 -3.124 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -1.838 4.618 -5.322 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -5.786 3.226 -5.453 1.00 0.00 H new ATOM 1002 N PRO A 68 1.152 3.177 -2.366 1.00 0.00 N ATOM 1003 CA PRO A 68 2.365 3.426 -1.582 1.00 0.00 C ATOM 1004 C PRO A 68 2.106 4.337 -0.386 1.00 0.00 C ATOM 1005 O PRO A 68 1.299 5.264 -0.463 1.00 0.00 O ATOM 1006 CB PRO A 68 3.300 4.111 -2.582 1.00 0.00 C ATOM 1007 CG PRO A 68 2.391 4.742 -3.580 1.00 0.00 C ATOM 1008 CD PRO A 68 1.196 3.835 -3.683 1.00 0.00 C ATOM 0 HA PRO A 68 2.771 2.508 -1.158 1.00 0.00 H new ATOM 0 HB2 PRO A 68 3.927 4.855 -2.092 1.00 0.00 H new ATOM 0 HB3 PRO A 68 3.969 3.392 -3.055 1.00 0.00 H new ATOM 0 HG2 PRO A 68 2.096 5.742 -3.262 1.00 0.00 H new ATOM 0 HG3 PRO A 68 2.885 4.848 -4.546 1.00 0.00 H new ATOM 0 HD2 PRO A 68 0.283 4.395 -3.883 1.00 0.00 H new ATOM 0 HD3 PRO A 68 1.309 3.111 -4.490 1.00 0.00 H new ATOM 1016 N VAL A 69 2.795 4.067 0.718 1.00 0.00 N ATOM 1017 CA VAL A 69 2.640 4.864 1.929 1.00 0.00 C ATOM 1018 C VAL A 69 2.509 6.346 1.599 1.00 0.00 C ATOM 1019 O VAL A 69 3.159 6.849 0.684 1.00 0.00 O ATOM 1020 CB VAL A 69 3.830 4.665 2.887 1.00 0.00 C ATOM 1021 CG1 VAL A 69 3.689 5.562 4.107 1.00 0.00 C ATOM 1022 CG2 VAL A 69 3.944 3.205 3.299 1.00 0.00 C ATOM 0 H VAL A 69 3.466 3.303 0.799 1.00 0.00 H new ATOM 0 HA VAL A 69 1.728 4.523 2.418 1.00 0.00 H new ATOM 0 HB VAL A 69 4.745 4.944 2.365 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.539 5.408 4.772 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.661 6.605 3.791 1.00 0.00 H new ATOM 0 HG13 VAL A 69 2.767 5.317 4.634 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.790 3.083 3.976 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.028 2.897 3.804 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.096 2.588 2.413 1.00 0.00 H new ATOM 1032 N GLY A 70 1.663 7.042 2.353 1.00 0.00 N ATOM 1033 CA GLY A 70 1.463 8.461 2.126 1.00 0.00 C ATOM 1034 C GLY A 70 0.760 8.744 0.813 1.00 0.00 C ATOM 1035 O GLY A 70 1.027 9.755 0.163 1.00 0.00 O ATOM 0 H GLY A 70 1.113 6.648 3.117 1.00 0.00 H new ATOM 0 HA2 GLY A 70 0.878 8.878 2.945 1.00 0.00 H new ATOM 0 HA3 GLY A 70 2.428 8.967 2.134 1.00 0.00 H new ATOM 1039 N TRP A 71 -0.140 7.849 0.420 1.00 0.00 N ATOM 1040 CA TRP A 71 -0.882 8.007 -0.825 1.00 0.00 C ATOM 1041 C TRP A 71 -2.199 8.736 -0.586 1.00 0.00 C ATOM 1042 O TRP A 71 -2.525 9.695 -1.286 1.00 0.00 O ATOM 1043 CB TRP A 71 -1.148 6.642 -1.461 1.00 0.00 C ATOM 1044 CG TRP A 71 -2.150 6.690 -2.574 1.00 0.00 C ATOM 1045 CD1 TRP A 71 -1.888 6.841 -3.906 1.00 0.00 C ATOM 1046 CD2 TRP A 71 -3.573 6.589 -2.452 1.00 0.00 C ATOM 1047 NE1 TRP A 71 -3.063 6.840 -4.619 1.00 0.00 N ATOM 1048 CE2 TRP A 71 -4.111 6.686 -3.750 1.00 0.00 C ATOM 1049 CE3 TRP A 71 -4.445 6.424 -1.372 1.00 0.00 C ATOM 1050 CZ2 TRP A 71 -5.480 6.624 -3.995 1.00 0.00 C ATOM 1051 CZ3 TRP A 71 -5.803 6.364 -1.617 1.00 0.00 C ATOM 1052 CH2 TRP A 71 -6.310 6.463 -2.919 1.00 0.00 C ATOM 0 H TRP A 71 -0.373 7.007 0.946 1.00 0.00 H new ATOM 0 HA TRP A 71 -0.276 8.605 -1.506 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -0.210 6.238 -1.843 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -1.502 5.954 -0.693 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -0.903 6.946 -4.336 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -3.142 6.938 -5.631 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -4.064 6.345 -0.365 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -5.873 6.700 -4.998 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -6.486 6.239 -0.790 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -7.377 6.411 -3.077 1.00 0.00 H new ATOM 1063 N CYS A 72 -2.952 8.276 0.408 1.00 0.00 N ATOM 1064 CA CYS A 72 -4.236 8.885 0.739 1.00 0.00 C ATOM 1065 C CYS A 72 -4.184 10.398 0.554 1.00 0.00 C ATOM 1066 O CYS A 72 -5.046 10.982 -0.101 1.00 0.00 O ATOM 1067 CB CYS A 72 -4.627 8.547 2.179 1.00 0.00 C ATOM 1068 SG CYS A 72 -3.333 8.888 3.394 1.00 0.00 S ATOM 0 H CYS A 72 -2.696 7.484 0.998 1.00 0.00 H new ATOM 0 HA CYS A 72 -4.988 8.481 0.062 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -5.519 9.115 2.445 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -4.893 7.491 2.234 1.00 0.00 H new ATOM 0 HG CYS A 72 -3.863 8.984 4.577 1.00 0.00 H new ATOM 1074 N GLU A 73 -3.168 11.026 1.139 1.00 0.00 N ATOM 1075 CA GLU A 73 -3.006 12.471 1.040 1.00 0.00 C ATOM 1076 C GLU A 73 -2.643 12.882 -0.384 1.00 0.00 C ATOM 1077 O GLU A 73 -3.057 13.938 -0.863 1.00 0.00 O ATOM 1078 CB GLU A 73 -1.927 12.954 2.012 1.00 0.00 C ATOM 1079 CG GLU A 73 -2.151 14.370 2.516 1.00 0.00 C ATOM 1080 CD GLU A 73 -1.591 14.589 3.908 1.00 0.00 C ATOM 1081 OE1 GLU A 73 -1.751 13.690 4.759 1.00 0.00 O ATOM 1082 OE2 GLU A 73 -0.994 15.659 4.146 1.00 0.00 O ATOM 0 H GLU A 73 -2.446 10.557 1.686 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.956 12.936 1.303 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -1.888 12.276 2.865 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.956 12.902 1.519 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.686 15.075 1.826 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -3.219 14.585 2.520 1.00 0.00 H new ATOM 1089 N LYS A 74 -1.865 12.040 -1.057 1.00 0.00 N ATOM 1090 CA LYS A 74 -1.446 12.313 -2.426 1.00 0.00 C ATOM 1091 C LYS A 74 -2.646 12.639 -3.308 1.00 0.00 C ATOM 1092 O LYS A 74 -2.500 13.216 -4.386 1.00 0.00 O ATOM 1093 CB LYS A 74 -0.690 11.112 -2.999 1.00 0.00 C ATOM 1094 CG LYS A 74 -1.577 10.142 -3.761 1.00 0.00 C ATOM 1095 CD LYS A 74 -1.540 10.410 -5.256 1.00 0.00 C ATOM 1096 CE LYS A 74 -0.206 10.000 -5.862 1.00 0.00 C ATOM 1097 NZ LYS A 74 -0.112 10.377 -7.300 1.00 0.00 N ATOM 0 H LYS A 74 -1.512 11.162 -0.676 1.00 0.00 H new ATOM 0 HA LYS A 74 -0.783 13.178 -2.410 1.00 0.00 H new ATOM 0 HB2 LYS A 74 0.096 11.471 -3.663 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.200 10.579 -2.184 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -1.252 9.120 -3.565 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -2.602 10.225 -3.401 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.346 9.864 -5.745 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -1.715 11.470 -5.441 1.00 0.00 H new ATOM 0 HE2 LYS A 74 0.605 10.473 -5.309 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -0.076 8.923 -5.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 0.811 10.081 -7.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.871 9.906 -7.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -0.211 11.408 -7.396 1.00 0.00 H new ATOM 1111 N THR A 75 -3.835 12.268 -2.843 1.00 0.00 N ATOM 1112 CA THR A 75 -5.061 12.521 -3.590 1.00 0.00 C ATOM 1113 C THR A 75 -6.027 13.382 -2.784 1.00 0.00 C ATOM 1114 O THR A 75 -6.961 13.965 -3.334 1.00 0.00 O ATOM 1115 CB THR A 75 -5.764 11.206 -3.978 1.00 0.00 C ATOM 1116 OG1 THR A 75 -6.014 10.420 -2.808 1.00 0.00 O ATOM 1117 CG2 THR A 75 -4.918 10.409 -4.959 1.00 0.00 C ATOM 0 H THR A 75 -3.975 11.791 -1.952 1.00 0.00 H new ATOM 0 HA THR A 75 -4.775 13.053 -4.498 1.00 0.00 H new ATOM 0 HB THR A 75 -6.711 11.454 -4.457 1.00 0.00 H new ATOM 0 HG1 THR A 75 -5.698 10.903 -2.016 1.00 0.00 H new ATOM 0 HG21 THR A 75 -5.435 9.485 -5.218 1.00 0.00 H new ATOM 0 HG22 THR A 75 -4.754 10.999 -5.861 1.00 0.00 H new ATOM 0 HG23 THR A 75 -3.957 10.171 -4.502 1.00 0.00 H new ATOM 1125 N GLY A 76 -5.796 13.459 -1.477 1.00 0.00 N ATOM 1126 CA GLY A 76 -6.655 14.252 -0.617 1.00 0.00 C ATOM 1127 C GLY A 76 -7.775 13.436 -0.005 1.00 0.00 C ATOM 1128 O GLY A 76 -8.845 13.965 0.299 1.00 0.00 O ATOM 0 H GLY A 76 -5.029 12.986 -0.998 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -6.057 14.696 0.179 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -7.081 15.074 -1.192 1.00 0.00 H new ATOM 1132 N HIS A 77 -7.532 12.141 0.175 1.00 0.00 N ATOM 1133 CA HIS A 77 -8.530 11.249 0.755 1.00 0.00 C ATOM 1134 C HIS A 77 -8.285 11.056 2.248 1.00 0.00 C ATOM 1135 O HIS A 77 -7.253 11.471 2.777 1.00 0.00 O ATOM 1136 CB HIS A 77 -8.510 9.896 0.044 1.00 0.00 C ATOM 1137 CG HIS A 77 -9.790 9.129 0.178 1.00 0.00 C ATOM 1138 ND1 HIS A 77 -9.961 8.103 1.083 1.00 0.00 N ATOM 1139 CD2 HIS A 77 -10.965 9.245 -0.484 1.00 0.00 C ATOM 1140 CE1 HIS A 77 -11.185 7.620 0.971 1.00 0.00 C ATOM 1141 NE2 HIS A 77 -11.815 8.296 0.028 1.00 0.00 N ATOM 0 H HIS A 77 -6.653 11.686 -0.072 1.00 0.00 H new ATOM 0 HA HIS A 77 -9.510 11.706 0.622 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -8.300 10.054 -1.014 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -7.693 9.296 0.445 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -11.192 9.952 -1.268 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -11.600 6.810 1.552 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -12.777 8.139 -0.272 1.00 0.00 H new ATOM 1150 N LYS A 78 -9.240 10.425 2.923 1.00 0.00 N ATOM 1151 CA LYS A 78 -9.128 10.176 4.355 1.00 0.00 C ATOM 1152 C LYS A 78 -8.822 8.707 4.630 1.00 0.00 C ATOM 1153 O LYS A 78 -9.693 7.846 4.496 1.00 0.00 O ATOM 1154 CB LYS A 78 -10.422 10.580 5.066 1.00 0.00 C ATOM 1155 CG LYS A 78 -10.672 12.078 5.067 1.00 0.00 C ATOM 1156 CD LYS A 78 -10.014 12.753 6.259 1.00 0.00 C ATOM 1157 CE LYS A 78 -10.786 13.989 6.697 1.00 0.00 C ATOM 1158 NZ LYS A 78 -10.646 15.105 5.721 1.00 0.00 N ATOM 0 H LYS A 78 -10.101 10.077 2.501 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.305 10.778 4.740 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -11.263 10.080 4.585 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -10.387 10.225 6.096 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -10.288 12.512 4.144 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -11.745 12.269 5.087 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -9.952 12.049 7.089 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.993 13.033 6.002 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -11.840 13.737 6.812 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -10.428 14.314 7.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -11.186 15.928 6.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -9.643 15.363 5.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -11.011 14.804 4.795 1.00 0.00 H new ATOM 1172 N LEU A 79 -7.583 8.428 5.017 1.00 0.00 N ATOM 1173 CA LEU A 79 -7.162 7.063 5.312 1.00 0.00 C ATOM 1174 C LEU A 79 -7.789 6.569 6.612 1.00 0.00 C ATOM 1175 O LEU A 79 -7.972 7.339 7.556 1.00 0.00 O ATOM 1176 CB LEU A 79 -5.637 6.986 5.406 1.00 0.00 C ATOM 1177 CG LEU A 79 -5.072 5.816 6.211 1.00 0.00 C ATOM 1178 CD1 LEU A 79 -5.170 4.524 5.415 1.00 0.00 C ATOM 1179 CD2 LEU A 79 -3.630 6.090 6.611 1.00 0.00 C ATOM 0 H LEU A 79 -6.851 9.129 5.134 1.00 0.00 H new ATOM 0 HA LEU A 79 -7.502 6.421 4.499 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.233 6.934 4.395 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.273 7.914 5.847 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.665 5.705 7.119 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.763 3.702 6.004 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.215 4.320 5.180 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.603 4.623 4.490 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.245 5.246 7.183 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.024 6.228 5.716 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.587 6.992 7.221 1.00 0.00 H new ATOM 1191 N HIS A 80 -8.113 5.281 6.656 1.00 0.00 N ATOM 1192 CA HIS A 80 -8.717 4.684 7.842 1.00 0.00 C ATOM 1193 C HIS A 80 -7.652 4.052 8.733 1.00 0.00 C ATOM 1194 O HIS A 80 -7.022 3.056 8.378 1.00 0.00 O ATOM 1195 CB HIS A 80 -9.752 3.633 7.440 1.00 0.00 C ATOM 1196 CG HIS A 80 -10.861 4.178 6.594 1.00 0.00 C ATOM 1197 ND1 HIS A 80 -12.141 4.374 7.066 1.00 0.00 N ATOM 1198 CD2 HIS A 80 -10.875 4.570 5.298 1.00 0.00 C ATOM 1199 CE1 HIS A 80 -12.896 4.862 6.098 1.00 0.00 C ATOM 1200 NE2 HIS A 80 -12.151 4.991 5.014 1.00 0.00 N ATOM 0 H HIS A 80 -7.967 4.630 5.884 1.00 0.00 H new ATOM 0 HA HIS A 80 -9.214 5.475 8.404 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -9.252 2.831 6.897 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -10.177 3.190 8.341 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -10.039 4.554 4.615 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -13.943 5.113 6.179 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -12.472 5.346 4.113 1.00 0.00 H new ATOM 1209 N PRO A 81 -7.445 4.643 9.920 1.00 0.00 N ATOM 1210 CA PRO A 81 -6.457 4.155 10.886 1.00 0.00 C ATOM 1211 C PRO A 81 -6.865 2.824 11.510 1.00 0.00 C ATOM 1212 O PRO A 81 -8.018 2.402 11.431 1.00 0.00 O ATOM 1213 CB PRO A 81 -6.425 5.256 11.948 1.00 0.00 C ATOM 1214 CG PRO A 81 -7.761 5.909 11.857 1.00 0.00 C ATOM 1215 CD PRO A 81 -8.161 5.834 10.409 1.00 0.00 C ATOM 0 HA PRO A 81 -5.490 3.966 10.420 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -6.253 4.843 12.942 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -5.622 5.968 11.756 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -8.488 5.400 12.490 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -7.713 6.944 12.196 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -9.240 5.730 10.295 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -7.868 6.731 9.864 1.00 0.00 H new ATOM 1223 N PRO A 82 -5.897 2.147 12.146 1.00 0.00 N ATOM 1224 CA PRO A 82 -6.132 0.854 12.796 1.00 0.00 C ATOM 1225 C PRO A 82 -6.998 0.983 14.045 1.00 0.00 C ATOM 1226 O PRO A 82 -7.609 2.025 14.285 1.00 0.00 O ATOM 1227 CB PRO A 82 -4.724 0.383 13.168 1.00 0.00 C ATOM 1228 CG PRO A 82 -3.925 1.635 13.288 1.00 0.00 C ATOM 1229 CD PRO A 82 -4.500 2.590 12.279 1.00 0.00 C ATOM 0 HA PRO A 82 -6.670 0.163 12.147 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -4.728 -0.175 14.104 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -4.313 -0.277 12.405 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.991 2.045 14.296 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.870 1.446 13.089 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -4.437 3.623 12.622 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -3.970 2.537 11.328 1.00 0.00 H new ATOM 1237 N LYS A 83 -7.047 -0.082 14.837 1.00 0.00 N ATOM 1238 CA LYS A 83 -7.837 -0.089 16.063 1.00 0.00 C ATOM 1239 C LYS A 83 -7.254 0.876 17.091 1.00 0.00 C ATOM 1240 O LYS A 83 -6.085 0.774 17.459 1.00 0.00 O ATOM 1241 CB LYS A 83 -7.896 -1.501 16.649 1.00 0.00 C ATOM 1242 CG LYS A 83 -6.607 -1.932 17.328 1.00 0.00 C ATOM 1243 CD LYS A 83 -6.607 -1.570 18.803 1.00 0.00 C ATOM 1244 CE LYS A 83 -5.200 -1.593 19.382 1.00 0.00 C ATOM 1245 NZ LYS A 83 -5.189 -1.232 20.827 1.00 0.00 N ATOM 0 H LYS A 83 -6.549 -0.953 14.652 1.00 0.00 H new ATOM 0 HA LYS A 83 -8.847 0.237 15.816 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -8.712 -1.552 17.370 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -8.131 -2.207 15.852 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -6.478 -3.009 17.217 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -5.759 -1.457 16.836 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -7.040 -0.579 18.936 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -7.239 -2.270 19.351 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -4.770 -2.586 19.253 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -4.568 -0.898 18.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -4.213 -1.259 21.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -5.576 -0.274 20.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -5.771 -1.910 21.359 1.00 0.00 H new ATOM 1259 N GLY A 84 -8.079 1.811 17.553 1.00 0.00 N ATOM 1260 CA GLY A 84 -7.626 2.779 18.535 1.00 0.00 C ATOM 1261 C GLY A 84 -6.622 3.759 17.964 1.00 0.00 C ATOM 1262 O GLY A 84 -5.635 4.100 18.617 1.00 0.00 O ATOM 0 H GLY A 84 -9.052 1.915 17.265 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -8.485 3.328 18.922 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -7.177 2.254 19.378 1.00 0.00 H new ATOM 1266 N TYR A 85 -6.872 4.214 16.741 1.00 0.00 N ATOM 1267 CA TYR A 85 -5.979 5.158 16.079 1.00 0.00 C ATOM 1268 C TYR A 85 -6.767 6.143 15.221 1.00 0.00 C ATOM 1269 O TYR A 85 -7.808 5.801 14.658 1.00 0.00 O ATOM 1270 CB TYR A 85 -4.962 4.411 15.215 1.00 0.00 C ATOM 1271 CG TYR A 85 -3.713 4.005 15.964 1.00 0.00 C ATOM 1272 CD1 TYR A 85 -2.618 4.858 16.041 1.00 0.00 C ATOM 1273 CD2 TYR A 85 -3.626 2.770 16.593 1.00 0.00 C ATOM 1274 CE1 TYR A 85 -1.474 4.491 16.724 1.00 0.00 C ATOM 1275 CE2 TYR A 85 -2.487 2.396 17.279 1.00 0.00 C ATOM 1276 CZ TYR A 85 -1.414 3.260 17.342 1.00 0.00 C ATOM 1277 OH TYR A 85 -0.277 2.890 18.023 1.00 0.00 O ATOM 0 H TYR A 85 -7.686 3.944 16.188 1.00 0.00 H new ATOM 0 HA TYR A 85 -5.449 5.718 16.849 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -5.434 3.519 14.802 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -4.681 5.042 14.372 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -2.662 5.824 15.559 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -4.464 2.090 16.545 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -0.631 5.165 16.773 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -2.437 1.432 17.763 1.00 0.00 H new ATOM 0 HH TYR A 85 -0.399 1.994 18.401 1.00 0.00 H new ATOM 1287 N LYS A 86 -6.263 7.368 15.124 1.00 0.00 N ATOM 1288 CA LYS A 86 -6.916 8.405 14.333 1.00 0.00 C ATOM 1289 C LYS A 86 -6.098 8.736 13.089 1.00 0.00 C ATOM 1290 O LYS A 86 -4.933 8.355 12.982 1.00 0.00 O ATOM 1291 CB LYS A 86 -7.118 9.666 15.175 1.00 0.00 C ATOM 1292 CG LYS A 86 -8.174 10.606 14.620 1.00 0.00 C ATOM 1293 CD LYS A 86 -8.539 11.689 15.621 1.00 0.00 C ATOM 1294 CE LYS A 86 -9.668 11.244 16.537 1.00 0.00 C ATOM 1295 NZ LYS A 86 -10.925 10.984 15.783 1.00 0.00 N ATOM 0 H LYS A 86 -5.403 7.668 15.584 1.00 0.00 H new ATOM 0 HA LYS A 86 -7.889 8.028 14.017 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -7.398 9.375 16.187 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.170 10.200 15.247 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -7.807 11.066 13.703 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -9.066 10.038 14.356 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -7.664 11.944 16.218 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -8.836 12.593 15.089 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -9.370 10.340 17.068 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -9.848 12.011 17.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -11.742 11.117 16.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -10.993 11.645 14.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -10.920 10.008 15.425 1.00 0.00 H new ATOM 1309 N GLU A 87 -6.715 9.451 12.153 1.00 0.00 N ATOM 1310 CA GLU A 87 -6.043 9.834 10.917 1.00 0.00 C ATOM 1311 C GLU A 87 -4.967 10.883 11.186 1.00 0.00 C ATOM 1312 O GLU A 87 -3.819 10.729 10.770 1.00 0.00 O ATOM 1313 CB GLU A 87 -7.055 10.374 9.905 1.00 0.00 C ATOM 1314 CG GLU A 87 -7.858 11.557 10.419 1.00 0.00 C ATOM 1315 CD GLU A 87 -9.142 11.773 9.642 1.00 0.00 C ATOM 1316 OE1 GLU A 87 -9.829 10.775 9.342 1.00 0.00 O ATOM 1317 OE2 GLU A 87 -9.459 12.941 9.334 1.00 0.00 O ATOM 0 H GLU A 87 -7.679 9.776 12.227 1.00 0.00 H new ATOM 0 HA GLU A 87 -5.566 8.946 10.503 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -6.527 10.670 8.999 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -7.741 9.574 9.627 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.097 11.400 11.471 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.247 12.458 10.362 1.00 0.00 H new ATOM 1324 N GLU A 88 -5.349 11.948 11.884 1.00 0.00 N ATOM 1325 CA GLU A 88 -4.418 13.023 12.207 1.00 0.00 C ATOM 1326 C GLU A 88 -3.340 12.537 13.172 1.00 0.00 C ATOM 1327 O GLU A 88 -2.220 13.047 13.173 1.00 0.00 O ATOM 1328 CB GLU A 88 -5.166 14.210 12.817 1.00 0.00 C ATOM 1329 CG GLU A 88 -5.533 14.012 14.278 1.00 0.00 C ATOM 1330 CD GLU A 88 -5.935 15.307 14.958 1.00 0.00 C ATOM 1331 OE1 GLU A 88 -5.035 16.095 15.315 1.00 0.00 O ATOM 1332 OE2 GLU A 88 -7.151 15.531 15.133 1.00 0.00 O ATOM 0 H GLU A 88 -6.296 12.089 12.236 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.937 13.342 11.282 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -4.549 15.104 12.724 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.076 14.389 12.244 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -6.354 13.298 14.349 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -4.685 13.576 14.806 1.00 0.00 H new ATOM 1339 N GLU A 89 -3.688 11.549 13.990 1.00 0.00 N ATOM 1340 CA GLU A 89 -2.750 10.996 14.960 1.00 0.00 C ATOM 1341 C GLU A 89 -1.765 10.047 14.285 1.00 0.00 C ATOM 1342 O GLU A 89 -0.550 10.218 14.389 1.00 0.00 O ATOM 1343 CB GLU A 89 -3.505 10.260 16.070 1.00 0.00 C ATOM 1344 CG GLU A 89 -4.140 11.188 17.092 1.00 0.00 C ATOM 1345 CD GLU A 89 -3.179 12.249 17.593 1.00 0.00 C ATOM 1346 OE1 GLU A 89 -2.169 11.883 18.230 1.00 0.00 O ATOM 1347 OE2 GLU A 89 -3.438 13.446 17.347 1.00 0.00 O ATOM 0 H GLU A 89 -4.611 11.115 14.001 1.00 0.00 H new ATOM 0 HA GLU A 89 -2.190 11.823 15.397 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -4.282 9.641 15.621 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -2.817 9.586 16.581 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -5.010 11.672 16.647 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -4.499 10.601 17.937 1.00 0.00 H new ATOM 1354 N PHE A 90 -2.297 9.045 13.593 1.00 0.00 N ATOM 1355 CA PHE A 90 -1.466 8.066 12.901 1.00 0.00 C ATOM 1356 C PHE A 90 -0.542 8.750 11.898 1.00 0.00 C ATOM 1357 O PHE A 90 -0.957 9.099 10.794 1.00 0.00 O ATOM 1358 CB PHE A 90 -2.342 7.036 12.185 1.00 0.00 C ATOM 1359 CG PHE A 90 -1.562 5.909 11.572 1.00 0.00 C ATOM 1360 CD1 PHE A 90 -0.884 6.087 10.377 1.00 0.00 C ATOM 1361 CD2 PHE A 90 -1.506 4.670 12.191 1.00 0.00 C ATOM 1362 CE1 PHE A 90 -0.166 5.051 9.810 1.00 0.00 C ATOM 1363 CE2 PHE A 90 -0.789 3.630 11.630 1.00 0.00 C ATOM 1364 CZ PHE A 90 -0.117 3.822 10.438 1.00 0.00 C ATOM 0 H PHE A 90 -3.300 8.889 13.496 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.853 7.556 13.644 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -3.061 6.626 12.895 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -2.915 7.537 11.405 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -0.917 7.047 9.883 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -2.029 4.515 13.123 1.00 0.00 H new ATOM 0 HE1 PHE A 90 0.356 5.202 8.877 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -0.754 2.669 12.122 1.00 0.00 H new ATOM 0 HZ PHE A 90 0.446 3.012 9.998 1.00 0.00 H new ATOM 1374 N ASN A 91 0.713 8.939 12.291 1.00 0.00 N ATOM 1375 CA ASN A 91 1.697 9.582 11.428 1.00 0.00 C ATOM 1376 C ASN A 91 2.648 8.553 10.826 1.00 0.00 C ATOM 1377 O ASN A 91 3.586 8.101 11.483 1.00 0.00 O ATOM 1378 CB ASN A 91 2.490 10.629 12.213 1.00 0.00 C ATOM 1379 CG ASN A 91 1.837 11.997 12.176 1.00 0.00 C ATOM 1380 OD1 ASN A 91 2.416 12.908 11.403 1.00 0.00 O flip ATOM 1381 ND2 ASN A 91 0.824 12.232 12.835 1.00 0.00 N flip ATOM 0 H ASN A 91 1.073 8.656 13.202 1.00 0.00 H new ATOM 0 HA ASN A 91 1.163 10.075 10.616 1.00 0.00 H new ATOM 0 HB2 ASN A 91 2.589 10.304 13.249 1.00 0.00 H new ATOM 0 HB3 ASN A 91 3.498 10.699 11.804 1.00 0.00 H new ATOM 0 HD21 ASN A 91 0.413 11.501 13.416 1.00 0.00 H new ATOM 0 HD22 ASN A 91 0.396 13.157 12.800 1.00 0.00 H new ATOM 1388 N TRP A 92 2.401 8.187 9.573 1.00 0.00 N ATOM 1389 CA TRP A 92 3.236 7.212 8.883 1.00 0.00 C ATOM 1390 C TRP A 92 4.700 7.371 9.278 1.00 0.00 C ATOM 1391 O TRP A 92 5.261 6.520 9.966 1.00 0.00 O ATOM 1392 CB TRP A 92 3.085 7.361 7.368 1.00 0.00 C ATOM 1393 CG TRP A 92 1.993 6.510 6.793 1.00 0.00 C ATOM 1394 CD1 TRP A 92 0.786 6.937 6.317 1.00 0.00 C ATOM 1395 CD2 TRP A 92 2.009 5.087 6.636 1.00 0.00 C ATOM 1396 NE1 TRP A 92 0.050 5.864 5.873 1.00 0.00 N ATOM 1397 CE2 TRP A 92 0.779 4.718 6.057 1.00 0.00 C ATOM 1398 CE3 TRP A 92 2.942 4.089 6.926 1.00 0.00 C ATOM 1399 CZ2 TRP A 92 0.461 3.395 5.765 1.00 0.00 C ATOM 1400 CZ3 TRP A 92 2.625 2.776 6.636 1.00 0.00 C ATOM 1401 CH2 TRP A 92 1.394 2.438 6.060 1.00 0.00 C ATOM 0 H TRP A 92 1.629 8.551 9.015 1.00 0.00 H new ATOM 0 HA TRP A 92 2.906 6.216 9.178 1.00 0.00 H new ATOM 0 HB2 TRP A 92 2.884 8.406 7.131 1.00 0.00 H new ATOM 0 HB3 TRP A 92 4.029 7.101 6.889 1.00 0.00 H new ATOM 0 HD1 TRP A 92 0.458 7.966 6.293 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -0.887 5.913 5.472 1.00 0.00 H new ATOM 0 HE3 TRP A 92 3.895 4.339 7.369 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -0.488 3.133 5.321 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 3.339 1.997 6.857 1.00 0.00 H new ATOM 0 HH2 TRP A 92 1.177 1.402 5.844 1.00 0.00 H new ATOM 1412 N GLN A 93 5.311 8.466 8.838 1.00 0.00 N ATOM 1413 CA GLN A 93 6.710 8.736 9.147 1.00 0.00 C ATOM 1414 C GLN A 93 7.044 8.315 10.575 1.00 0.00 C ATOM 1415 O GLN A 93 8.029 7.617 10.814 1.00 0.00 O ATOM 1416 CB GLN A 93 7.020 10.221 8.955 1.00 0.00 C ATOM 1417 CG GLN A 93 5.974 11.144 9.559 1.00 0.00 C ATOM 1418 CD GLN A 93 6.058 12.557 9.015 1.00 0.00 C ATOM 1419 OE1 GLN A 93 6.454 13.484 9.722 1.00 0.00 O ATOM 1420 NE2 GLN A 93 5.685 12.729 7.752 1.00 0.00 N ATOM 0 H GLN A 93 4.860 9.180 8.267 1.00 0.00 H new ATOM 0 HA GLN A 93 7.325 8.152 8.462 1.00 0.00 H new ATOM 0 HB2 GLN A 93 7.989 10.442 9.402 1.00 0.00 H new ATOM 0 HB3 GLN A 93 7.106 10.431 7.889 1.00 0.00 H new ATOM 0 HG2 GLN A 93 4.981 10.741 9.360 1.00 0.00 H new ATOM 0 HG3 GLN A 93 6.098 11.168 10.642 1.00 0.00 H new ATOM 0 HE21 GLN A 93 5.363 11.932 7.202 1.00 0.00 H new ATOM 0 HE22 GLN A 93 5.720 13.658 7.332 1.00 0.00 H new ATOM 1429 N THR A 94 6.216 8.745 11.522 1.00 0.00 N ATOM 1430 CA THR A 94 6.423 8.415 12.926 1.00 0.00 C ATOM 1431 C THR A 94 6.352 6.909 13.153 1.00 0.00 C ATOM 1432 O THR A 94 7.145 6.348 13.908 1.00 0.00 O ATOM 1433 CB THR A 94 5.382 9.108 13.826 1.00 0.00 C ATOM 1434 OG1 THR A 94 5.218 10.473 13.424 1.00 0.00 O ATOM 1435 CG2 THR A 94 5.806 9.052 15.286 1.00 0.00 C ATOM 0 H THR A 94 5.395 9.323 11.341 1.00 0.00 H new ATOM 0 HA THR A 94 7.418 8.773 13.191 1.00 0.00 H new ATOM 0 HB THR A 94 4.434 8.581 13.719 1.00 0.00 H new ATOM 0 HG1 THR A 94 4.554 10.906 14.000 1.00 0.00 H new ATOM 0 HG21 THR A 94 5.056 9.548 15.902 1.00 0.00 H new ATOM 0 HG22 THR A 94 5.902 8.012 15.597 1.00 0.00 H new ATOM 0 HG23 THR A 94 6.765 9.557 15.406 1.00 0.00 H new ATOM 1443 N TYR A 95 5.398 6.261 12.494 1.00 0.00 N ATOM 1444 CA TYR A 95 5.223 4.819 12.626 1.00 0.00 C ATOM 1445 C TYR A 95 6.340 4.067 11.910 1.00 0.00 C ATOM 1446 O TYR A 95 6.584 2.890 12.178 1.00 0.00 O ATOM 1447 CB TYR A 95 3.865 4.396 12.062 1.00 0.00 C ATOM 1448 CG TYR A 95 3.633 2.903 12.101 1.00 0.00 C ATOM 1449 CD1 TYR A 95 4.176 2.121 13.113 1.00 0.00 C ATOM 1450 CD2 TYR A 95 2.869 2.273 11.125 1.00 0.00 C ATOM 1451 CE1 TYR A 95 3.967 0.756 13.151 1.00 0.00 C ATOM 1452 CE2 TYR A 95 2.653 0.909 11.157 1.00 0.00 C ATOM 1453 CZ TYR A 95 3.204 0.155 12.171 1.00 0.00 C ATOM 1454 OH TYR A 95 2.992 -1.204 12.207 1.00 0.00 O ATOM 0 H TYR A 95 4.734 6.711 11.863 1.00 0.00 H new ATOM 0 HA TYR A 95 5.263 4.569 13.686 1.00 0.00 H new ATOM 0 HB2 TYR A 95 3.076 4.893 12.626 1.00 0.00 H new ATOM 0 HB3 TYR A 95 3.786 4.741 11.031 1.00 0.00 H new ATOM 0 HD1 TYR A 95 4.772 2.588 13.883 1.00 0.00 H new ATOM 0 HD2 TYR A 95 2.437 2.860 10.328 1.00 0.00 H new ATOM 0 HE1 TYR A 95 4.398 0.163 13.943 1.00 0.00 H new ATOM 0 HE2 TYR A 95 2.056 0.436 10.392 1.00 0.00 H new ATOM 0 HH TYR A 95 2.029 -1.385 12.198 1.00 0.00 H new ATOM 1464 N LEU A 96 7.017 4.755 10.997 1.00 0.00 N ATOM 1465 CA LEU A 96 8.111 4.154 10.241 1.00 0.00 C ATOM 1466 C LEU A 96 9.446 4.380 10.942 1.00 0.00 C ATOM 1467 O LEU A 96 10.456 3.769 10.591 1.00 0.00 O ATOM 1468 CB LEU A 96 8.159 4.736 8.827 1.00 0.00 C ATOM 1469 CG LEU A 96 6.894 4.563 7.986 1.00 0.00 C ATOM 1470 CD1 LEU A 96 6.742 5.716 7.007 1.00 0.00 C ATOM 1471 CD2 LEU A 96 6.923 3.233 7.246 1.00 0.00 C ATOM 0 H LEU A 96 6.828 5.729 10.762 1.00 0.00 H new ATOM 0 HA LEU A 96 7.931 3.081 10.180 1.00 0.00 H new ATOM 0 HB2 LEU A 96 8.379 5.801 8.901 1.00 0.00 H new ATOM 0 HB3 LEU A 96 8.991 4.275 8.294 1.00 0.00 H new ATOM 0 HG LEU A 96 6.033 4.565 8.655 1.00 0.00 H new ATOM 0 HD11 LEU A 96 5.836 5.576 6.417 1.00 0.00 H new ATOM 0 HD12 LEU A 96 6.675 6.654 7.558 1.00 0.00 H new ATOM 0 HD13 LEU A 96 7.606 5.746 6.343 1.00 0.00 H new ATOM 0 HD21 LEU A 96 6.015 3.127 6.653 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.792 3.201 6.589 1.00 0.00 H new ATOM 0 HD23 LEU A 96 6.983 2.417 7.966 1.00 0.00 H new ATOM 1483 N LYS A 97 9.445 5.260 11.937 1.00 0.00 N ATOM 1484 CA LYS A 97 10.655 5.565 12.692 1.00 0.00 C ATOM 1485 C LYS A 97 10.731 4.723 13.962 1.00 0.00 C ATOM 1486 O LYS A 97 11.815 4.338 14.400 1.00 0.00 O ATOM 1487 CB LYS A 97 10.696 7.052 13.050 1.00 0.00 C ATOM 1488 CG LYS A 97 10.039 7.376 14.381 1.00 0.00 C ATOM 1489 CD LYS A 97 11.034 7.300 15.527 1.00 0.00 C ATOM 1490 CE LYS A 97 10.361 7.558 16.867 1.00 0.00 C ATOM 1491 NZ LYS A 97 10.096 9.007 17.084 1.00 0.00 N ATOM 0 H LYS A 97 8.619 5.775 12.240 1.00 0.00 H new ATOM 0 HA LYS A 97 11.514 5.324 12.066 1.00 0.00 H new ATOM 0 HB2 LYS A 97 11.734 7.382 13.077 1.00 0.00 H new ATOM 0 HB3 LYS A 97 10.201 7.620 12.262 1.00 0.00 H new ATOM 0 HG2 LYS A 97 9.605 8.375 14.340 1.00 0.00 H new ATOM 0 HG3 LYS A 97 9.220 6.680 14.562 1.00 0.00 H new ATOM 0 HD2 LYS A 97 11.504 6.316 15.538 1.00 0.00 H new ATOM 0 HD3 LYS A 97 11.828 8.031 15.370 1.00 0.00 H new ATOM 0 HE2 LYS A 97 9.422 7.006 16.914 1.00 0.00 H new ATOM 0 HE3 LYS A 97 10.994 7.180 17.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 9.637 9.141 18.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 10.994 9.531 17.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 9.471 9.362 16.332 1.00 0.00 H new ATOM 1505 N THR A 98 9.572 4.439 14.548 1.00 0.00 N ATOM 1506 CA THR A 98 9.507 3.642 15.767 1.00 0.00 C ATOM 1507 C THR A 98 9.749 2.166 15.473 1.00 0.00 C ATOM 1508 O THR A 98 10.188 1.414 16.343 1.00 0.00 O ATOM 1509 CB THR A 98 8.145 3.798 16.468 1.00 0.00 C ATOM 1510 OG1 THR A 98 8.190 3.194 17.766 1.00 0.00 O ATOM 1511 CG2 THR A 98 7.036 3.160 15.645 1.00 0.00 C ATOM 0 H THR A 98 8.665 4.749 14.198 1.00 0.00 H new ATOM 0 HA THR A 98 10.292 4.011 16.428 1.00 0.00 H new ATOM 0 HB THR A 98 7.934 4.862 16.570 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.321 3.299 18.206 1.00 0.00 H new ATOM 0 HG21 THR A 98 6.084 3.283 16.161 1.00 0.00 H new ATOM 0 HG22 THR A 98 6.985 3.641 14.668 1.00 0.00 H new ATOM 0 HG23 THR A 98 7.244 2.098 15.516 1.00 0.00 H new ATOM 1519 N CYS A 99 9.460 1.759 14.242 1.00 0.00 N ATOM 1520 CA CYS A 99 9.646 0.371 13.833 1.00 0.00 C ATOM 1521 C CYS A 99 10.905 0.218 12.985 1.00 0.00 C ATOM 1522 O CYS A 99 11.276 -0.891 12.599 1.00 0.00 O ATOM 1523 CB CYS A 99 8.427 -0.120 13.051 1.00 0.00 C ATOM 1524 SG CYS A 99 6.977 -0.455 14.077 1.00 0.00 S ATOM 0 H CYS A 99 9.096 2.370 13.510 1.00 0.00 H new ATOM 0 HA CYS A 99 9.760 -0.235 14.732 1.00 0.00 H new ATOM 0 HB2 CYS A 99 8.164 0.627 12.302 1.00 0.00 H new ATOM 0 HB3 CYS A 99 8.696 -1.029 12.513 1.00 0.00 H new ATOM 0 HG CYS A 99 5.997 0.316 13.708 1.00 0.00 H new ATOM 1530 N LYS A 100 11.557 1.339 12.697 1.00 0.00 N ATOM 1531 CA LYS A 100 12.775 1.332 11.894 1.00 0.00 C ATOM 1532 C LYS A 100 12.566 0.558 10.596 1.00 0.00 C ATOM 1533 O LYS A 100 13.425 -0.219 10.181 1.00 0.00 O ATOM 1534 CB LYS A 100 13.929 0.716 12.687 1.00 0.00 C ATOM 1535 CG LYS A 100 14.043 1.245 14.106 1.00 0.00 C ATOM 1536 CD LYS A 100 13.104 0.515 15.051 1.00 0.00 C ATOM 1537 CE LYS A 100 13.513 0.709 16.504 1.00 0.00 C ATOM 1538 NZ LYS A 100 13.566 2.150 16.877 1.00 0.00 N ATOM 0 H LYS A 100 11.263 2.265 13.008 1.00 0.00 H new ATOM 0 HA LYS A 100 13.023 2.364 11.645 1.00 0.00 H new ATOM 0 HB2 LYS A 100 13.799 -0.366 12.721 1.00 0.00 H new ATOM 0 HB3 LYS A 100 14.864 0.908 12.160 1.00 0.00 H new ATOM 0 HG2 LYS A 100 15.070 1.135 14.455 1.00 0.00 H new ATOM 0 HG3 LYS A 100 13.815 2.311 14.117 1.00 0.00 H new ATOM 0 HD2 LYS A 100 12.086 0.878 14.907 1.00 0.00 H new ATOM 0 HD3 LYS A 100 13.100 -0.548 14.812 1.00 0.00 H new ATOM 0 HE2 LYS A 100 12.806 0.192 17.153 1.00 0.00 H new ATOM 0 HE3 LYS A 100 14.490 0.255 16.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 13.681 2.238 17.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 14.371 2.603 16.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 12.683 2.617 16.586 1.00 0.00 H new ATOM 1552 N ALA A 101 11.420 0.777 9.960 1.00 0.00 N ATOM 1553 CA ALA A 101 11.100 0.103 8.708 1.00 0.00 C ATOM 1554 C ALA A 101 10.906 1.108 7.578 1.00 0.00 C ATOM 1555 O ALA A 101 10.437 2.223 7.801 1.00 0.00 O ATOM 1556 CB ALA A 101 9.855 -0.756 8.873 1.00 0.00 C ATOM 0 H ALA A 101 10.698 1.416 10.291 1.00 0.00 H new ATOM 0 HA ALA A 101 11.939 -0.541 8.446 1.00 0.00 H new ATOM 0 HB1 ALA A 101 9.628 -1.253 7.930 1.00 0.00 H new ATOM 0 HB2 ALA A 101 10.030 -1.505 9.645 1.00 0.00 H new ATOM 0 HB3 ALA A 101 9.014 -0.126 9.162 1.00 0.00 H new ATOM 1562 N GLN A 102 11.270 0.705 6.365 1.00 0.00 N ATOM 1563 CA GLN A 102 11.136 1.572 5.200 1.00 0.00 C ATOM 1564 C GLN A 102 9.803 1.338 4.497 1.00 0.00 C ATOM 1565 O GLN A 102 9.301 0.215 4.456 1.00 0.00 O ATOM 1566 CB GLN A 102 12.290 1.332 4.224 1.00 0.00 C ATOM 1567 CG GLN A 102 13.543 2.127 4.557 1.00 0.00 C ATOM 1568 CD GLN A 102 13.392 3.606 4.260 1.00 0.00 C ATOM 1569 OE1 GLN A 102 13.070 3.996 3.138 1.00 0.00 O ATOM 1570 NE2 GLN A 102 13.623 4.439 5.268 1.00 0.00 N ATOM 0 H GLN A 102 11.660 -0.216 6.163 1.00 0.00 H new ATOM 0 HA GLN A 102 11.168 2.606 5.543 1.00 0.00 H new ATOM 0 HB2 GLN A 102 12.535 0.270 4.217 1.00 0.00 H new ATOM 0 HB3 GLN A 102 11.963 1.590 3.217 1.00 0.00 H new ATOM 0 HG2 GLN A 102 13.783 1.995 5.612 1.00 0.00 H new ATOM 0 HG3 GLN A 102 14.383 1.730 3.987 1.00 0.00 H new ATOM 0 HE21 GLN A 102 13.888 4.072 6.182 1.00 0.00 H new ATOM 0 HE22 GLN A 102 13.536 5.446 5.128 1.00 0.00 H new ATOM 1579 N ALA A 103 9.236 2.405 3.945 1.00 0.00 N ATOM 1580 CA ALA A 103 7.962 2.315 3.243 1.00 0.00 C ATOM 1581 C ALA A 103 8.157 1.822 1.813 1.00 0.00 C ATOM 1582 O ALA A 103 9.119 2.195 1.144 1.00 0.00 O ATOM 1583 CB ALA A 103 7.261 3.666 3.245 1.00 0.00 C ATOM 0 H ALA A 103 9.639 3.342 3.970 1.00 0.00 H new ATOM 0 HA ALA A 103 7.337 1.592 3.768 1.00 0.00 H new ATOM 0 HB1 ALA A 103 6.311 3.584 2.717 1.00 0.00 H new ATOM 0 HB2 ALA A 103 7.079 3.980 4.273 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.890 4.403 2.746 1.00 0.00 H new ATOM 1589 N ALA A 104 7.238 0.980 1.352 1.00 0.00 N ATOM 1590 CA ALA A 104 7.309 0.436 0.002 1.00 0.00 C ATOM 1591 C ALA A 104 7.528 1.542 -1.025 1.00 0.00 C ATOM 1592 O ALA A 104 6.967 2.634 -0.926 1.00 0.00 O ATOM 1593 CB ALA A 104 6.042 -0.343 -0.321 1.00 0.00 C ATOM 0 H ALA A 104 6.435 0.660 1.894 1.00 0.00 H new ATOM 0 HA ALA A 104 8.161 -0.242 -0.045 1.00 0.00 H new ATOM 0 HB1 ALA A 104 6.109 -0.744 -1.333 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.929 -1.164 0.387 1.00 0.00 H new ATOM 0 HB3 ALA A 104 5.179 0.320 -0.250 1.00 0.00 H new ATOM 1599 N PRO A 105 8.363 1.257 -2.034 1.00 0.00 N ATOM 1600 CA PRO A 105 8.676 2.215 -3.099 1.00 0.00 C ATOM 1601 C PRO A 105 7.488 2.464 -4.022 1.00 0.00 C ATOM 1602 O PRO A 105 6.667 1.575 -4.247 1.00 0.00 O ATOM 1603 CB PRO A 105 9.815 1.537 -3.863 1.00 0.00 C ATOM 1604 CG PRO A 105 9.632 0.082 -3.605 1.00 0.00 C ATOM 1605 CD PRO A 105 9.067 -0.024 -2.215 1.00 0.00 C ATOM 0 HA PRO A 105 8.937 3.196 -2.701 1.00 0.00 H new ATOM 0 HB2 PRO A 105 9.764 1.759 -4.929 1.00 0.00 H new ATOM 0 HB3 PRO A 105 10.787 1.882 -3.512 1.00 0.00 H new ATOM 0 HG2 PRO A 105 8.956 -0.362 -4.336 1.00 0.00 H new ATOM 0 HG3 PRO A 105 10.580 -0.450 -3.683 1.00 0.00 H new ATOM 0 HD2 PRO A 105 8.389 -0.872 -2.121 1.00 0.00 H new ATOM 0 HD3 PRO A 105 9.852 -0.160 -1.471 1.00 0.00 H new ATOM 1613 N LYS A 106 7.404 3.677 -4.556 1.00 0.00 N ATOM 1614 CA LYS A 106 6.318 4.043 -5.457 1.00 0.00 C ATOM 1615 C LYS A 106 6.442 3.306 -6.787 1.00 0.00 C ATOM 1616 O LYS A 106 5.445 3.051 -7.462 1.00 0.00 O ATOM 1617 CB LYS A 106 6.314 5.555 -5.698 1.00 0.00 C ATOM 1618 CG LYS A 106 7.538 6.054 -6.447 1.00 0.00 C ATOM 1619 CD LYS A 106 7.855 7.498 -6.096 1.00 0.00 C ATOM 1620 CE LYS A 106 8.722 7.592 -4.850 1.00 0.00 C ATOM 1621 NZ LYS A 106 7.907 7.564 -3.604 1.00 0.00 N ATOM 0 H LYS A 106 8.076 4.424 -4.380 1.00 0.00 H new ATOM 0 HA LYS A 106 5.378 3.754 -4.988 1.00 0.00 H new ATOM 0 HB2 LYS A 106 5.420 5.823 -6.261 1.00 0.00 H new ATOM 0 HB3 LYS A 106 6.252 6.067 -4.738 1.00 0.00 H new ATOM 0 HG2 LYS A 106 8.394 5.424 -6.207 1.00 0.00 H new ATOM 0 HG3 LYS A 106 7.369 5.968 -7.520 1.00 0.00 H new ATOM 0 HD2 LYS A 106 8.367 7.973 -6.933 1.00 0.00 H new ATOM 0 HD3 LYS A 106 6.927 8.047 -5.937 1.00 0.00 H new ATOM 0 HE2 LYS A 106 9.432 6.765 -4.838 1.00 0.00 H new ATOM 0 HE3 LYS A 106 9.305 8.512 -4.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 8.337 8.191 -2.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 6.941 7.888 -3.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 7.873 6.593 -3.233 1.00 0.00 H new ATOM 1635 N SER A 107 7.673 2.966 -7.156 1.00 0.00 N ATOM 1636 CA SER A 107 7.928 2.260 -8.407 1.00 0.00 C ATOM 1637 C SER A 107 7.063 1.007 -8.509 1.00 0.00 C ATOM 1638 O SER A 107 6.511 0.703 -9.567 1.00 0.00 O ATOM 1639 CB SER A 107 9.407 1.883 -8.512 1.00 0.00 C ATOM 1640 OG SER A 107 9.812 1.096 -7.406 1.00 0.00 O ATOM 0 H SER A 107 8.509 3.168 -6.607 1.00 0.00 H new ATOM 0 HA SER A 107 7.671 2.926 -9.231 1.00 0.00 H new ATOM 0 HB2 SER A 107 9.581 1.333 -9.437 1.00 0.00 H new ATOM 0 HB3 SER A 107 10.014 2.787 -8.560 1.00 0.00 H new ATOM 0 HG SER A 107 10.760 0.867 -7.497 1.00 0.00 H new ATOM 1646 N LEU A 108 6.951 0.282 -7.401 1.00 0.00 N ATOM 1647 CA LEU A 108 6.154 -0.940 -7.364 1.00 0.00 C ATOM 1648 C LEU A 108 4.725 -0.672 -7.824 1.00 0.00 C ATOM 1649 O LEU A 108 4.017 -1.585 -8.250 1.00 0.00 O ATOM 1650 CB LEU A 108 6.145 -1.524 -5.950 1.00 0.00 C ATOM 1651 CG LEU A 108 7.425 -2.236 -5.511 1.00 0.00 C ATOM 1652 CD1 LEU A 108 7.510 -2.292 -3.993 1.00 0.00 C ATOM 1653 CD2 LEU A 108 7.486 -3.636 -6.102 1.00 0.00 C ATOM 0 H LEU A 108 7.401 0.519 -6.517 1.00 0.00 H new ATOM 0 HA LEU A 108 6.607 -1.660 -8.045 1.00 0.00 H new ATOM 0 HB2 LEU A 108 5.942 -0.717 -5.246 1.00 0.00 H new ATOM 0 HB3 LEU A 108 5.317 -2.229 -5.874 1.00 0.00 H new ATOM 0 HG LEU A 108 8.279 -1.669 -5.882 1.00 0.00 H new ATOM 0 HD11 LEU A 108 8.427 -2.802 -3.699 1.00 0.00 H new ATOM 0 HD12 LEU A 108 7.513 -1.279 -3.591 1.00 0.00 H new ATOM 0 HD13 LEU A 108 6.651 -2.835 -3.600 1.00 0.00 H new ATOM 0 HD21 LEU A 108 8.404 -4.128 -5.779 1.00 0.00 H new ATOM 0 HD22 LEU A 108 6.626 -4.213 -5.761 1.00 0.00 H new ATOM 0 HD23 LEU A 108 7.472 -3.573 -7.190 1.00 0.00 H new ATOM 1665 N PHE A 109 4.307 0.587 -7.738 1.00 0.00 N ATOM 1666 CA PHE A 109 2.962 0.976 -8.147 1.00 0.00 C ATOM 1667 C PHE A 109 3.008 1.881 -9.375 1.00 0.00 C ATOM 1668 O PHE A 109 2.414 2.959 -9.386 1.00 0.00 O ATOM 1669 CB PHE A 109 2.244 1.690 -7.000 1.00 0.00 C ATOM 1670 CG PHE A 109 2.380 0.989 -5.679 1.00 0.00 C ATOM 1671 CD1 PHE A 109 3.473 1.226 -4.862 1.00 0.00 C ATOM 1672 CD2 PHE A 109 1.413 0.092 -5.253 1.00 0.00 C ATOM 1673 CE1 PHE A 109 3.601 0.581 -3.646 1.00 0.00 C ATOM 1674 CE2 PHE A 109 1.534 -0.555 -4.038 1.00 0.00 C ATOM 1675 CZ PHE A 109 2.629 -0.310 -3.233 1.00 0.00 C ATOM 0 H PHE A 109 4.880 1.355 -7.389 1.00 0.00 H new ATOM 0 HA PHE A 109 2.411 0.071 -8.404 1.00 0.00 H new ATOM 0 HB2 PHE A 109 2.640 2.701 -6.908 1.00 0.00 H new ATOM 0 HB3 PHE A 109 1.186 1.783 -7.246 1.00 0.00 H new ATOM 0 HD1 PHE A 109 4.235 1.923 -5.179 1.00 0.00 H new ATOM 0 HD2 PHE A 109 0.554 -0.104 -5.878 1.00 0.00 H new ATOM 0 HE1 PHE A 109 4.460 0.773 -3.020 1.00 0.00 H new ATOM 0 HE2 PHE A 109 0.773 -1.252 -3.718 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.725 -0.814 -2.283 1.00 0.00 H new ATOM 1685 N GLU A 110 3.717 1.433 -10.407 1.00 0.00 N ATOM 1686 CA GLU A 110 3.841 2.202 -11.639 1.00 0.00 C ATOM 1687 C GLU A 110 2.595 2.045 -12.506 1.00 0.00 C ATOM 1688 O GLU A 110 2.022 3.028 -12.973 1.00 0.00 O ATOM 1689 CB GLU A 110 5.079 1.759 -12.421 1.00 0.00 C ATOM 1690 CG GLU A 110 6.329 2.556 -12.084 1.00 0.00 C ATOM 1691 CD GLU A 110 7.454 2.322 -13.073 1.00 0.00 C ATOM 1692 OE1 GLU A 110 7.711 1.148 -13.411 1.00 0.00 O ATOM 1693 OE2 GLU A 110 8.077 3.312 -13.509 1.00 0.00 O ATOM 0 H GLU A 110 4.214 0.542 -10.414 1.00 0.00 H new ATOM 0 HA GLU A 110 3.947 3.253 -11.372 1.00 0.00 H new ATOM 0 HB2 GLU A 110 5.266 0.704 -12.221 1.00 0.00 H new ATOM 0 HB3 GLU A 110 4.876 1.851 -13.488 1.00 0.00 H new ATOM 0 HG2 GLU A 110 6.084 3.618 -12.063 1.00 0.00 H new ATOM 0 HG3 GLU A 110 6.668 2.287 -11.084 1.00 0.00 H new ATOM 1700 N ASN A 111 2.182 0.799 -12.718 1.00 0.00 N ATOM 1701 CA ASN A 111 1.006 0.512 -13.530 1.00 0.00 C ATOM 1702 C ASN A 111 -0.076 1.565 -13.313 1.00 0.00 C ATOM 1703 O ASN A 111 -0.822 1.902 -14.232 1.00 0.00 O ATOM 1704 CB ASN A 111 0.456 -0.877 -13.196 1.00 0.00 C ATOM 1705 CG ASN A 111 1.538 -1.939 -13.185 1.00 0.00 C ATOM 1706 OD1 ASN A 111 1.958 -2.402 -12.124 1.00 0.00 O ATOM 1707 ND2 ASN A 111 1.995 -2.331 -14.369 1.00 0.00 N ATOM 0 H ASN A 111 2.645 -0.027 -12.339 1.00 0.00 H new ATOM 0 HA ASN A 111 1.305 0.535 -14.578 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -0.030 -0.848 -12.221 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -0.308 -1.148 -13.925 1.00 0.00 H new ATOM 0 HD21 ASN A 111 2.723 -3.043 -14.424 1.00 0.00 H new ATOM 0 HD22 ASN A 111 1.618 -1.920 -15.223 1.00 0.00 H new ATOM 1714 N GLN A 112 -0.155 2.081 -12.090 1.00 0.00 N ATOM 1715 CA GLN A 112 -1.146 3.096 -11.752 1.00 0.00 C ATOM 1716 C GLN A 112 -0.793 4.435 -12.391 1.00 0.00 C ATOM 1717 O GLN A 112 -1.520 4.934 -13.249 1.00 0.00 O ATOM 1718 CB GLN A 112 -1.248 3.253 -10.234 1.00 0.00 C ATOM 1719 CG GLN A 112 -1.798 2.023 -9.530 1.00 0.00 C ATOM 1720 CD GLN A 112 -2.498 2.360 -8.229 1.00 0.00 C ATOM 1721 OE1 GLN A 112 -1.790 2.202 -7.117 1.00 0.00 O flip ATOM 1722 NE2 GLN A 112 -3.664 2.758 -8.222 1.00 0.00 N flip ATOM 0 H GLN A 112 0.455 1.813 -11.318 1.00 0.00 H new ATOM 0 HA GLN A 112 -2.110 2.771 -12.142 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -0.260 3.479 -9.833 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -1.887 4.107 -10.008 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -2.497 1.512 -10.192 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -0.982 1.328 -9.330 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -4.172 2.865 -9.100 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -4.122 2.980 -7.338 1.00 0.00 H new ATOM 1731 N ASN A 113 0.327 5.011 -11.967 1.00 0.00 N ATOM 1732 CA ASN A 113 0.775 6.293 -12.498 1.00 0.00 C ATOM 1733 C ASN A 113 2.284 6.451 -12.336 1.00 0.00 C ATOM 1734 O ASN A 113 2.932 5.656 -11.656 1.00 0.00 O ATOM 1735 CB ASN A 113 0.052 7.442 -11.791 1.00 0.00 C ATOM 1736 CG ASN A 113 -1.396 7.113 -11.486 1.00 0.00 C ATOM 1737 OD1 ASN A 113 -1.619 6.374 -10.405 1.00 0.00 O flip ATOM 1738 ND2 ASN A 113 -2.303 7.519 -12.212 1.00 0.00 N flip ATOM 0 H ASN A 113 0.941 4.610 -11.258 1.00 0.00 H new ATOM 0 HA ASN A 113 0.536 6.321 -13.561 1.00 0.00 H new ATOM 0 HB2 ASN A 113 0.572 7.678 -10.862 1.00 0.00 H new ATOM 0 HB3 ASN A 113 0.095 8.334 -12.416 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -2.085 8.084 -13.033 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -3.273 7.290 -11.993 1.00 0.00 H new ATOM 1745 N ILE A 114 2.836 7.483 -12.966 1.00 0.00 N ATOM 1746 CA ILE A 114 4.268 7.746 -12.891 1.00 0.00 C ATOM 1747 C ILE A 114 4.576 8.817 -11.850 1.00 0.00 C ATOM 1748 O ILE A 114 3.825 9.781 -11.693 1.00 0.00 O ATOM 1749 CB ILE A 114 4.830 8.193 -14.253 1.00 0.00 C ATOM 1750 CG1 ILE A 114 4.431 7.198 -15.345 1.00 0.00 C ATOM 1751 CG2 ILE A 114 6.344 8.329 -14.182 1.00 0.00 C ATOM 1752 CD1 ILE A 114 4.686 5.755 -14.972 1.00 0.00 C ATOM 0 H ILE A 114 2.314 8.150 -13.534 1.00 0.00 H new ATOM 0 HA ILE A 114 4.746 6.811 -12.599 1.00 0.00 H new ATOM 0 HB ILE A 114 4.408 9.167 -14.502 1.00 0.00 H new ATOM 0 HG12 ILE A 114 3.372 7.324 -15.571 1.00 0.00 H new ATOM 0 HG13 ILE A 114 4.981 7.432 -16.256 1.00 0.00 H new ATOM 0 HG21 ILE A 114 6.727 8.646 -15.152 1.00 0.00 H new ATOM 0 HG22 ILE A 114 6.608 9.071 -13.428 1.00 0.00 H new ATOM 0 HG23 ILE A 114 6.783 7.368 -13.915 1.00 0.00 H new ATOM 0 HD11 ILE A 114 4.379 5.107 -15.793 1.00 0.00 H new ATOM 0 HD12 ILE A 114 5.749 5.612 -14.775 1.00 0.00 H new ATOM 0 HD13 ILE A 114 4.114 5.504 -14.079 1.00 0.00 H new ATOM 1764 N THR A 115 5.687 8.644 -11.142 1.00 0.00 N ATOM 1765 CA THR A 115 6.096 9.596 -10.117 1.00 0.00 C ATOM 1766 C THR A 115 7.559 9.400 -9.736 1.00 0.00 C ATOM 1767 O THR A 115 8.114 8.313 -9.903 1.00 0.00 O ATOM 1768 CB THR A 115 5.227 9.466 -8.851 1.00 0.00 C ATOM 1769 OG1 THR A 115 5.572 10.492 -7.913 1.00 0.00 O ATOM 1770 CG2 THR A 115 5.410 8.101 -8.207 1.00 0.00 C ATOM 0 H THR A 115 6.320 7.853 -11.260 1.00 0.00 H new ATOM 0 HA THR A 115 5.964 10.592 -10.540 1.00 0.00 H new ATOM 0 HB THR A 115 4.182 9.576 -9.141 1.00 0.00 H new ATOM 0 HG1 THR A 115 5.014 10.404 -7.112 1.00 0.00 H new ATOM 0 HG21 THR A 115 4.787 8.033 -7.315 1.00 0.00 H new ATOM 0 HG22 THR A 115 5.119 7.323 -8.913 1.00 0.00 H new ATOM 0 HG23 THR A 115 6.456 7.967 -7.930 1.00 0.00 H new ATOM 1778 N VAL A 116 8.180 10.458 -9.224 1.00 0.00 N ATOM 1779 CA VAL A 116 9.579 10.401 -8.819 1.00 0.00 C ATOM 1780 C VAL A 116 9.823 11.240 -7.569 1.00 0.00 C ATOM 1781 O VAL A 116 9.110 12.210 -7.311 1.00 0.00 O ATOM 1782 CB VAL A 116 10.510 10.892 -9.943 1.00 0.00 C ATOM 1783 CG1 VAL A 116 11.960 10.864 -9.486 1.00 0.00 C ATOM 1784 CG2 VAL A 116 10.321 10.051 -11.196 1.00 0.00 C ATOM 0 H VAL A 116 7.736 11.365 -9.080 1.00 0.00 H new ATOM 0 HA VAL A 116 9.804 9.357 -8.603 1.00 0.00 H new ATOM 0 HB VAL A 116 10.250 11.923 -10.182 1.00 0.00 H new ATOM 0 HG11 VAL A 116 12.603 11.214 -10.294 1.00 0.00 H new ATOM 0 HG12 VAL A 116 12.081 11.513 -8.619 1.00 0.00 H new ATOM 0 HG13 VAL A 116 12.237 9.845 -9.218 1.00 0.00 H new ATOM 0 HG21 VAL A 116 10.987 10.412 -11.980 1.00 0.00 H new ATOM 0 HG22 VAL A 116 10.553 9.010 -10.974 1.00 0.00 H new ATOM 0 HG23 VAL A 116 9.287 10.128 -11.533 1.00 0.00 H new ATOM 1794 N ILE A 117 10.836 10.860 -6.797 1.00 0.00 N ATOM 1795 CA ILE A 117 11.175 11.579 -5.575 1.00 0.00 C ATOM 1796 C ILE A 117 11.631 13.001 -5.882 1.00 0.00 C ATOM 1797 O ILE A 117 12.220 13.279 -6.927 1.00 0.00 O ATOM 1798 CB ILE A 117 12.283 10.856 -4.786 1.00 0.00 C ATOM 1799 CG1 ILE A 117 13.495 10.601 -5.684 1.00 0.00 C ATOM 1800 CG2 ILE A 117 11.758 9.548 -4.213 1.00 0.00 C ATOM 1801 CD1 ILE A 117 14.737 10.194 -4.922 1.00 0.00 C ATOM 0 H ILE A 117 11.436 10.059 -6.996 1.00 0.00 H new ATOM 0 HA ILE A 117 10.270 11.613 -4.968 1.00 0.00 H new ATOM 0 HB ILE A 117 12.595 11.494 -3.959 1.00 0.00 H new ATOM 0 HG12 ILE A 117 13.247 9.819 -6.402 1.00 0.00 H new ATOM 0 HG13 ILE A 117 13.709 11.504 -6.256 1.00 0.00 H new ATOM 0 HG21 ILE A 117 12.553 9.049 -3.658 1.00 0.00 H new ATOM 0 HG22 ILE A 117 10.922 9.753 -3.544 1.00 0.00 H new ATOM 0 HG23 ILE A 117 11.423 8.903 -5.026 1.00 0.00 H new ATOM 0 HD11 ILE A 117 15.556 10.030 -5.622 1.00 0.00 H new ATOM 0 HD12 ILE A 117 15.010 10.984 -4.223 1.00 0.00 H new ATOM 0 HD13 ILE A 117 14.541 9.274 -4.371 1.00 0.00 H new ATOM 1813 N PRO A 118 11.354 13.925 -4.950 1.00 0.00 N ATOM 1814 CA PRO A 118 11.728 15.335 -5.097 1.00 0.00 C ATOM 1815 C PRO A 118 13.235 15.547 -5.000 1.00 0.00 C ATOM 1816 O PRO A 118 13.845 15.276 -3.966 1.00 0.00 O ATOM 1817 CB PRO A 118 11.016 16.015 -3.925 1.00 0.00 C ATOM 1818 CG PRO A 118 10.849 14.940 -2.908 1.00 0.00 C ATOM 1819 CD PRO A 118 10.654 13.665 -3.681 1.00 0.00 C ATOM 0 HA PRO A 118 11.447 15.732 -6.072 1.00 0.00 H new ATOM 0 HB2 PRO A 118 11.604 16.844 -3.532 1.00 0.00 H new ATOM 0 HB3 PRO A 118 10.053 16.424 -4.230 1.00 0.00 H new ATOM 0 HG2 PRO A 118 11.724 14.875 -2.262 1.00 0.00 H new ATOM 0 HG3 PRO A 118 9.992 15.141 -2.265 1.00 0.00 H new ATOM 0 HD2 PRO A 118 11.078 12.808 -3.157 1.00 0.00 H new ATOM 0 HD3 PRO A 118 9.598 13.450 -3.842 1.00 0.00 H new ATOM 1827 N SER A 119 13.830 16.035 -6.084 1.00 0.00 N ATOM 1828 CA SER A 119 15.267 16.281 -6.122 1.00 0.00 C ATOM 1829 C SER A 119 15.595 17.444 -7.053 1.00 0.00 C ATOM 1830 O SER A 119 14.990 17.595 -8.113 1.00 0.00 O ATOM 1831 CB SER A 119 16.009 15.023 -6.579 1.00 0.00 C ATOM 1832 OG SER A 119 15.515 14.564 -7.825 1.00 0.00 O ATOM 0 H SER A 119 13.339 16.268 -6.947 1.00 0.00 H new ATOM 0 HA SER A 119 15.593 16.541 -5.115 1.00 0.00 H new ATOM 0 HB2 SER A 119 17.075 15.236 -6.663 1.00 0.00 H new ATOM 0 HB3 SER A 119 15.899 14.239 -5.829 1.00 0.00 H new ATOM 0 HG SER A 119 16.006 13.761 -8.096 1.00 0.00 H new ATOM 1838 N GLY A 120 16.558 18.266 -6.647 1.00 0.00 N ATOM 1839 CA GLY A 120 16.951 19.406 -7.455 1.00 0.00 C ATOM 1840 C GLY A 120 16.146 20.649 -7.131 1.00 0.00 C ATOM 1841 O GLY A 120 16.694 21.749 -7.056 1.00 0.00 O ATOM 0 H GLY A 120 17.073 18.163 -5.773 1.00 0.00 H new ATOM 0 HA2 GLY A 120 18.010 19.611 -7.298 1.00 0.00 H new ATOM 0 HA3 GLY A 120 16.827 19.161 -8.510 1.00 0.00 H new ATOM 1845 N PHE A 121 14.843 20.476 -6.941 1.00 0.00 N ATOM 1846 CA PHE A 121 13.961 21.594 -6.627 1.00 0.00 C ATOM 1847 C PHE A 121 14.143 22.040 -5.179 1.00 0.00 C ATOM 1848 O PHE A 121 14.370 23.218 -4.905 1.00 0.00 O ATOM 1849 CB PHE A 121 12.502 21.205 -6.873 1.00 0.00 C ATOM 1850 CG PHE A 121 11.519 22.062 -6.127 1.00 0.00 C ATOM 1851 CD1 PHE A 121 11.268 23.363 -6.529 1.00 0.00 C ATOM 1852 CD2 PHE A 121 10.846 21.565 -5.022 1.00 0.00 C ATOM 1853 CE1 PHE A 121 10.364 24.154 -5.845 1.00 0.00 C ATOM 1854 CE2 PHE A 121 9.941 22.350 -4.334 1.00 0.00 C ATOM 1855 CZ PHE A 121 9.700 23.647 -4.745 1.00 0.00 C ATOM 0 H PHE A 121 14.374 19.572 -6.999 1.00 0.00 H new ATOM 0 HA PHE A 121 14.223 22.426 -7.281 1.00 0.00 H new ATOM 0 HB2 PHE A 121 12.292 21.270 -7.941 1.00 0.00 H new ATOM 0 HB3 PHE A 121 12.358 20.164 -6.583 1.00 0.00 H new ATOM 0 HD1 PHE A 121 11.785 23.765 -7.388 1.00 0.00 H new ATOM 0 HD2 PHE A 121 11.031 20.552 -4.695 1.00 0.00 H new ATOM 0 HE1 PHE A 121 10.177 25.167 -6.170 1.00 0.00 H new ATOM 0 HE2 PHE A 121 9.422 21.950 -3.475 1.00 0.00 H new ATOM 0 HZ PHE A 121 8.994 24.263 -4.207 1.00 0.00 H new ATOM 1865 N SER A 122 14.040 21.089 -4.256 1.00 0.00 N ATOM 1866 CA SER A 122 14.188 21.383 -2.835 1.00 0.00 C ATOM 1867 C SER A 122 15.633 21.746 -2.504 1.00 0.00 C ATOM 1868 O SER A 122 16.543 21.507 -3.297 1.00 0.00 O ATOM 1869 CB SER A 122 13.746 20.184 -1.995 1.00 0.00 C ATOM 1870 OG SER A 122 12.339 20.021 -2.040 1.00 0.00 O ATOM 0 H SER A 122 13.855 20.108 -4.467 1.00 0.00 H new ATOM 0 HA SER A 122 13.553 22.237 -2.598 1.00 0.00 H new ATOM 0 HB2 SER A 122 14.232 19.280 -2.362 1.00 0.00 H new ATOM 0 HB3 SER A 122 14.067 20.321 -0.962 1.00 0.00 H new ATOM 0 HG SER A 122 11.988 20.434 -2.856 1.00 0.00 H new ATOM 1876 N GLY A 123 15.835 22.326 -1.324 1.00 0.00 N ATOM 1877 CA GLY A 123 17.170 22.713 -0.907 1.00 0.00 C ATOM 1878 C GLY A 123 17.309 22.782 0.601 1.00 0.00 C ATOM 1879 O GLY A 123 17.472 21.767 1.278 1.00 0.00 O ATOM 0 H GLY A 123 15.098 22.534 -0.650 1.00 0.00 H new ATOM 0 HA2 GLY A 123 17.892 21.999 -1.303 1.00 0.00 H new ATOM 0 HA3 GLY A 123 17.414 23.685 -1.336 1.00 0.00 H new ATOM 1883 N PRO A 124 17.247 24.005 1.149 1.00 0.00 N ATOM 1884 CA PRO A 124 17.366 24.232 2.592 1.00 0.00 C ATOM 1885 C PRO A 124 16.154 23.718 3.362 1.00 0.00 C ATOM 1886 O PRO A 124 15.043 23.675 2.833 1.00 0.00 O ATOM 1887 CB PRO A 124 17.463 25.756 2.704 1.00 0.00 C ATOM 1888 CG PRO A 124 16.784 26.270 1.482 1.00 0.00 C ATOM 1889 CD PRO A 124 17.054 25.259 0.402 1.00 0.00 C ATOM 0 HA PRO A 124 18.219 23.704 3.019 1.00 0.00 H new ATOM 0 HB2 PRO A 124 16.976 26.118 3.609 1.00 0.00 H new ATOM 0 HB3 PRO A 124 18.501 26.084 2.748 1.00 0.00 H new ATOM 0 HG2 PRO A 124 15.713 26.385 1.650 1.00 0.00 H new ATOM 0 HG3 PRO A 124 17.170 27.251 1.204 1.00 0.00 H new ATOM 0 HD2 PRO A 124 16.221 25.186 -0.297 1.00 0.00 H new ATOM 0 HD3 PRO A 124 17.938 25.520 -0.181 1.00 0.00 H new ATOM 1897 N SER A 125 16.375 23.329 4.613 1.00 0.00 N ATOM 1898 CA SER A 125 15.301 22.815 5.455 1.00 0.00 C ATOM 1899 C SER A 125 14.333 23.928 5.841 1.00 0.00 C ATOM 1900 O SER A 125 13.115 23.751 5.794 1.00 0.00 O ATOM 1901 CB SER A 125 15.878 22.165 6.715 1.00 0.00 C ATOM 1902 OG SER A 125 16.432 23.139 7.582 1.00 0.00 O ATOM 0 H SER A 125 17.288 23.360 5.066 1.00 0.00 H new ATOM 0 HA SER A 125 14.754 22.064 4.885 1.00 0.00 H new ATOM 0 HB2 SER A 125 15.095 21.614 7.235 1.00 0.00 H new ATOM 0 HB3 SER A 125 16.645 21.442 6.437 1.00 0.00 H new ATOM 0 HG SER A 125 16.792 22.699 8.380 1.00 0.00 H new ATOM 1908 N SER A 126 14.883 25.076 6.224 1.00 0.00 N ATOM 1909 CA SER A 126 14.069 26.218 6.622 1.00 0.00 C ATOM 1910 C SER A 126 13.441 26.890 5.404 1.00 0.00 C ATOM 1911 O SER A 126 12.257 27.221 5.406 1.00 0.00 O ATOM 1912 CB SER A 126 14.916 27.230 7.396 1.00 0.00 C ATOM 1913 OG SER A 126 15.947 27.761 6.582 1.00 0.00 O ATOM 0 H SER A 126 15.889 25.240 6.267 1.00 0.00 H new ATOM 0 HA SER A 126 13.269 25.854 7.267 1.00 0.00 H new ATOM 0 HB2 SER A 126 14.281 28.039 7.758 1.00 0.00 H new ATOM 0 HB3 SER A 126 15.351 26.750 8.272 1.00 0.00 H new ATOM 0 HG SER A 126 16.473 28.406 7.099 1.00 0.00 H new ATOM 1919 N GLY A 127 14.247 27.088 4.365 1.00 0.00 N ATOM 1920 CA GLY A 127 13.754 27.719 3.154 1.00 0.00 C ATOM 1921 C GLY A 127 14.813 28.555 2.464 1.00 0.00 C ATOM 1922 O GLY A 127 15.014 29.720 2.807 1.00 0.00 O ATOM 0 H GLY A 127 15.232 26.823 4.340 1.00 0.00 H new ATOM 0 HA2 GLY A 127 13.397 26.951 2.467 1.00 0.00 H new ATOM 0 HA3 GLY A 127 12.900 28.350 3.399 1.00 0.00 H new TER 1926 GLY A 127