USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 961 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 21 TYR OH : rot 180:sc= 0.618 USER MOD Set 1.2: A 110 SER OG : rot -22:sc= 0.686 USER MOD Set 2.1: A 77 ASN : amide:sc= 0.379 K(o=0.73,f=0.13) USER MOD Set 2.2: A 79 SER OG : rot 180:sc= 0.35 USER MOD Set 3.1: A 48 SER OG : rot 90:sc= 0.758 USER MOD Set 3.2: A 52 SER OG : rot -161:sc= 0.872 USER MOD Set 4.1: A 40 SER OG : rot -170:sc= 0.278 USER MOD Set 4.2: A 56 ASN : amide:sc= 0.298 K(o=0.58,f=-0.45) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 GLN : amide:sc= 0.905 K(o=0.91,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 152:sc= 1.24 (180deg=0.812) USER MOD Single : A 23 HIS : no HD1:sc= -0.192 X(o=-0.19,f=-0.055) USER MOD Single : A 27 TYR OH : rot 180:sc= 0.0378 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HE2:sc= -0.0798 K(o=-0.08,f=-0.85) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0.00346 USER MOD Single : A 49 SER OG : rot 180:sc= 0.25 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0.0027 USER MOD Single : A 61 LYS NZ :NH3+ -170:sc= 1.23 (180deg=1.01) USER MOD Single : A 72 CYS SG : rot 180:sc= 0 USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.0574 K(o=-0.057,f=-1.8!) USER MOD Single : A 82 HIS : no HE2:sc= 0.411 K(o=0.41,f=-1.7) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 2.16 K(o=2.2,f=-6.6!) USER MOD Single : A 94 SER OG : rot 66:sc= 1.32 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl -148:sc= -0.12 (180deg=-0.5) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 MET CE :methyl 166:sc= -0.188 (180deg=-0.801) USER MOD Single : A 105 LYS NZ :NH3+ 168:sc= 1.22 (180deg=1.15) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 170:sc= 0.0777 USER MOD Single : A 112 ASN : amide:sc= 0.881 K(o=0.88,f=-0.065) USER MOD Single : A 113 CYS SG : rot 180:sc= 0 USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=-0.0038) USER MOD Single : A 118 THR OG1 : rot 68:sc= 1.16 USER MOD Single : A 119 GLN : amide:sc= 0.599 K(o=0.6,f=0) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 SER OG : rot 19:sc= 0.707 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.877 -8.662 -10.263 1.00 0.00 N ATOM 2 CA MET A 1 7.865 -7.897 -11.045 1.00 0.00 C ATOM 3 C MET A 1 6.860 -7.201 -10.108 1.00 0.00 C ATOM 4 O MET A 1 7.068 -6.035 -9.773 1.00 0.00 O ATOM 5 CB MET A 1 7.207 -8.765 -12.147 1.00 0.00 C ATOM 6 CG MET A 1 6.243 -7.982 -13.060 1.00 0.00 C ATOM 7 SD MET A 1 6.949 -6.565 -13.958 1.00 0.00 S ATOM 8 CE MET A 1 7.983 -7.417 -15.182 1.00 0.00 C ATOM 0 H1 MET A 1 9.544 -9.123 -10.915 1.00 0.00 H new ATOM 0 H2 MET A 1 9.396 -8.013 -9.638 1.00 0.00 H new ATOM 0 H3 MET A 1 8.398 -9.385 -9.689 1.00 0.00 H new ATOM 0 HA MET A 1 8.375 -7.100 -11.586 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.989 -9.213 -12.759 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.663 -9.583 -11.676 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.825 -8.675 -13.790 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.413 -7.622 -12.452 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.484 -6.681 -15.811 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.729 -8.024 -14.669 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.358 -8.059 -15.803 1.00 0.00 H new ATOM 20 N ALA A 2 5.787 -7.877 -9.672 1.00 0.00 N ATOM 21 CA ALA A 2 4.757 -7.305 -8.789 1.00 0.00 C ATOM 22 C ALA A 2 5.189 -7.267 -7.309 1.00 0.00 C ATOM 23 O ALA A 2 6.048 -8.038 -6.874 1.00 0.00 O ATOM 24 CB ALA A 2 3.465 -8.114 -8.977 1.00 0.00 C ATOM 0 H ALA A 2 5.607 -8.849 -9.925 1.00 0.00 H new ATOM 0 HA ALA A 2 4.595 -6.264 -9.067 1.00 0.00 H new ATOM 0 HB1 ALA A 2 2.685 -7.709 -8.332 1.00 0.00 H new ATOM 0 HB2 ALA A 2 3.145 -8.052 -10.017 1.00 0.00 H new ATOM 0 HB3 ALA A 2 3.647 -9.156 -8.715 1.00 0.00 H new ATOM 30 N SER A 3 4.567 -6.385 -6.523 1.00 0.00 N ATOM 31 CA SER A 3 4.805 -6.240 -5.073 1.00 0.00 C ATOM 32 C SER A 3 3.754 -7.000 -4.226 1.00 0.00 C ATOM 33 O SER A 3 2.604 -7.143 -4.666 1.00 0.00 O ATOM 34 CB SER A 3 4.789 -4.749 -4.686 1.00 0.00 C ATOM 35 OG SER A 3 5.826 -4.036 -5.352 1.00 0.00 O ATOM 0 H SER A 3 3.867 -5.734 -6.879 1.00 0.00 H new ATOM 0 HA SER A 3 5.782 -6.675 -4.862 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.823 -4.314 -4.941 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.909 -4.649 -3.607 1.00 0.00 H new ATOM 0 HG SER A 3 5.794 -3.092 -5.091 1.00 0.00 H new ATOM 41 N PRO A 4 4.108 -7.465 -3.006 1.00 0.00 N ATOM 42 CA PRO A 4 3.187 -8.144 -2.094 1.00 0.00 C ATOM 43 C PRO A 4 2.239 -7.157 -1.388 1.00 0.00 C ATOM 44 O PRO A 4 2.498 -5.956 -1.317 1.00 0.00 O ATOM 45 CB PRO A 4 4.080 -8.883 -1.094 1.00 0.00 C ATOM 46 CG PRO A 4 5.298 -7.967 -0.994 1.00 0.00 C ATOM 47 CD PRO A 4 5.444 -7.432 -2.420 1.00 0.00 C ATOM 0 HA PRO A 4 2.530 -8.828 -2.631 1.00 0.00 H new ATOM 0 HB2 PRO A 4 3.589 -9.011 -0.129 1.00 0.00 H new ATOM 0 HB3 PRO A 4 4.349 -9.878 -1.449 1.00 0.00 H new ATOM 0 HG2 PRO A 4 5.140 -7.163 -0.275 1.00 0.00 H new ATOM 0 HG3 PRO A 4 6.187 -8.511 -0.674 1.00 0.00 H new ATOM 0 HD2 PRO A 4 5.842 -6.417 -2.416 1.00 0.00 H new ATOM 0 HD3 PRO A 4 6.137 -8.045 -2.997 1.00 0.00 H new ATOM 55 N HIS A 5 1.156 -7.688 -0.808 1.00 0.00 N ATOM 56 CA HIS A 5 0.134 -6.917 -0.077 1.00 0.00 C ATOM 57 C HIS A 5 0.494 -6.678 1.411 1.00 0.00 C ATOM 58 O HIS A 5 -0.381 -6.365 2.227 1.00 0.00 O ATOM 59 CB HIS A 5 -1.222 -7.635 -0.229 1.00 0.00 C ATOM 60 CG HIS A 5 -1.667 -7.796 -1.665 1.00 0.00 C ATOM 61 ND1 HIS A 5 -1.875 -8.988 -2.328 1.00 0.00 N ATOM 62 CD2 HIS A 5 -1.955 -6.789 -2.548 1.00 0.00 C ATOM 63 CE1 HIS A 5 -2.274 -8.702 -3.579 1.00 0.00 C ATOM 64 NE2 HIS A 5 -2.338 -7.370 -3.766 1.00 0.00 N ATOM 0 H HIS A 5 0.958 -8.688 -0.832 1.00 0.00 H new ATOM 0 HA HIS A 5 0.079 -5.920 -0.514 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -1.156 -8.620 0.234 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -1.982 -7.076 0.317 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -1.897 -5.730 -2.342 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -2.511 -9.440 -4.331 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -2.610 -6.883 -4.620 1.00 0.00 H new ATOM 72 N GLN A 6 1.760 -6.880 1.797 1.00 0.00 N ATOM 73 CA GLN A 6 2.231 -6.844 3.184 1.00 0.00 C ATOM 74 C GLN A 6 3.276 -5.729 3.395 1.00 0.00 C ATOM 75 O GLN A 6 4.454 -5.894 3.078 1.00 0.00 O ATOM 76 CB GLN A 6 2.800 -8.228 3.547 1.00 0.00 C ATOM 77 CG GLN A 6 3.215 -8.322 5.026 1.00 0.00 C ATOM 78 CD GLN A 6 3.878 -9.661 5.343 1.00 0.00 C ATOM 79 OE1 GLN A 6 5.088 -9.767 5.518 1.00 0.00 O ATOM 80 NE2 GLN A 6 3.128 -10.743 5.389 1.00 0.00 N ATOM 0 H GLN A 6 2.506 -7.079 1.131 1.00 0.00 H new ATOM 0 HA GLN A 6 1.396 -6.613 3.845 1.00 0.00 H new ATOM 0 HB2 GLN A 6 2.053 -8.992 3.333 1.00 0.00 H new ATOM 0 HB3 GLN A 6 3.663 -8.440 2.916 1.00 0.00 H new ATOM 0 HG2 GLN A 6 3.903 -7.510 5.263 1.00 0.00 H new ATOM 0 HG3 GLN A 6 2.337 -8.192 5.659 1.00 0.00 H new ATOM 0 HE21 GLN A 6 2.121 -10.672 5.246 1.00 0.00 H new ATOM 0 HE22 GLN A 6 3.555 -11.652 5.568 1.00 0.00 H new ATOM 89 N GLU A 7 2.833 -4.616 3.990 1.00 0.00 N ATOM 90 CA GLU A 7 3.649 -3.506 4.506 1.00 0.00 C ATOM 91 C GLU A 7 2.722 -2.565 5.299 1.00 0.00 C ATOM 92 O GLU A 7 1.934 -1.854 4.668 1.00 0.00 O ATOM 93 CB GLU A 7 4.388 -2.737 3.394 1.00 0.00 C ATOM 94 CG GLU A 7 5.308 -1.657 3.983 1.00 0.00 C ATOM 95 CD GLU A 7 6.024 -0.888 2.865 1.00 0.00 C ATOM 96 OE1 GLU A 7 5.363 -0.044 2.213 1.00 0.00 O ATOM 97 OE2 GLU A 7 7.235 -1.118 2.636 1.00 0.00 O ATOM 0 H GLU A 7 1.836 -4.454 4.134 1.00 0.00 H new ATOM 0 HA GLU A 7 4.429 -3.915 5.149 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.976 -3.433 2.796 1.00 0.00 H new ATOM 0 HB3 GLU A 7 3.663 -2.275 2.724 1.00 0.00 H new ATOM 0 HG2 GLU A 7 4.724 -0.966 4.590 1.00 0.00 H new ATOM 0 HG3 GLU A 7 6.043 -2.118 4.643 1.00 0.00 H new ATOM 104 N PRO A 8 2.765 -2.568 6.647 1.00 0.00 N ATOM 105 CA PRO A 8 1.919 -1.718 7.478 1.00 0.00 C ATOM 106 C PRO A 8 2.155 -0.223 7.246 1.00 0.00 C ATOM 107 O PRO A 8 3.287 0.262 7.299 1.00 0.00 O ATOM 108 CB PRO A 8 2.217 -2.103 8.929 1.00 0.00 C ATOM 109 CG PRO A 8 2.747 -3.527 8.821 1.00 0.00 C ATOM 110 CD PRO A 8 3.491 -3.508 7.489 1.00 0.00 C ATOM 0 HA PRO A 8 0.872 -1.878 7.222 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.952 -1.435 9.378 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.321 -2.055 9.549 1.00 0.00 H new ATOM 0 HG2 PRO A 8 3.408 -3.777 9.651 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.941 -4.260 8.824 1.00 0.00 H new ATOM 0 HD2 PRO A 8 4.526 -3.195 7.623 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.514 -4.500 7.039 1.00 0.00 H new ATOM 118 N LYS A 9 1.061 0.512 7.024 1.00 0.00 N ATOM 119 CA LYS A 9 1.027 1.981 6.997 1.00 0.00 C ATOM 120 C LYS A 9 0.335 2.468 8.283 1.00 0.00 C ATOM 121 O LYS A 9 -0.664 1.859 8.686 1.00 0.00 O ATOM 122 CB LYS A 9 0.235 2.483 5.775 1.00 0.00 C ATOM 123 CG LYS A 9 1.051 2.629 4.489 1.00 0.00 C ATOM 124 CD LYS A 9 1.634 1.300 3.998 1.00 0.00 C ATOM 125 CE LYS A 9 2.001 1.471 2.516 1.00 0.00 C ATOM 126 NZ LYS A 9 2.604 0.247 1.931 1.00 0.00 N ATOM 0 H LYS A 9 0.148 0.091 6.853 1.00 0.00 H new ATOM 0 HA LYS A 9 2.044 2.367 6.932 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.589 1.795 5.588 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.206 3.450 6.019 1.00 0.00 H new ATOM 0 HG2 LYS A 9 0.418 3.052 3.709 1.00 0.00 H new ATOM 0 HG3 LYS A 9 1.863 3.336 4.659 1.00 0.00 H new ATOM 0 HD2 LYS A 9 2.514 1.030 4.581 1.00 0.00 H new ATOM 0 HD3 LYS A 9 0.910 0.495 4.122 1.00 0.00 H new ATOM 0 HE2 LYS A 9 1.106 1.736 1.952 1.00 0.00 H new ATOM 0 HE3 LYS A 9 2.700 2.301 2.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 2.404 0.215 0.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 3.633 0.261 2.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.198 -0.593 2.390 1.00 0.00 H new ATOM 140 N PRO A 10 0.802 3.554 8.927 1.00 0.00 N ATOM 141 CA PRO A 10 0.175 4.035 10.142 1.00 0.00 C ATOM 142 C PRO A 10 -1.209 4.614 9.822 1.00 0.00 C ATOM 143 O PRO A 10 -1.383 5.353 8.855 1.00 0.00 O ATOM 144 CB PRO A 10 1.181 4.998 10.783 1.00 0.00 C ATOM 145 CG PRO A 10 1.909 5.563 9.565 1.00 0.00 C ATOM 146 CD PRO A 10 1.959 4.379 8.597 1.00 0.00 C ATOM 0 HA PRO A 10 -0.041 3.254 10.871 1.00 0.00 H new ATOM 0 HB2 PRO A 10 0.686 5.779 11.360 1.00 0.00 H new ATOM 0 HB3 PRO A 10 1.861 4.484 11.461 1.00 0.00 H new ATOM 0 HG2 PRO A 10 1.374 6.410 9.135 1.00 0.00 H new ATOM 0 HG3 PRO A 10 2.909 5.914 9.822 1.00 0.00 H new ATOM 0 HD2 PRO A 10 1.917 4.717 7.562 1.00 0.00 H new ATOM 0 HD3 PRO A 10 2.886 3.818 8.712 1.00 0.00 H new ATOM 154 N GLY A 11 -2.208 4.189 10.604 1.00 0.00 N ATOM 155 CA GLY A 11 -3.629 4.486 10.380 1.00 0.00 C ATOM 156 C GLY A 11 -4.300 3.623 9.313 1.00 0.00 C ATOM 157 O GLY A 11 -5.382 3.984 8.855 1.00 0.00 O ATOM 0 H GLY A 11 -2.047 3.614 11.431 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -4.165 4.360 11.320 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -3.727 5.534 10.095 1.00 0.00 H new ATOM 161 N ASP A 12 -3.672 2.533 8.868 1.00 0.00 N ATOM 162 CA ASP A 12 -4.209 1.602 7.865 1.00 0.00 C ATOM 163 C ASP A 12 -4.641 0.250 8.465 1.00 0.00 C ATOM 164 O ASP A 12 -4.356 -0.062 9.627 1.00 0.00 O ATOM 165 CB ASP A 12 -3.216 1.452 6.700 1.00 0.00 C ATOM 166 CG ASP A 12 -3.943 1.499 5.348 1.00 0.00 C ATOM 167 OD1 ASP A 12 -4.797 0.620 5.096 1.00 0.00 O ATOM 168 OD2 ASP A 12 -3.704 2.475 4.596 1.00 0.00 O ATOM 0 H ASP A 12 -2.748 2.263 9.204 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.129 2.032 7.469 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -2.473 2.249 6.746 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -2.678 0.509 6.795 1.00 0.00 H new ATOM 173 N LEU A 13 -5.346 -0.542 7.651 1.00 0.00 N ATOM 174 CA LEU A 13 -6.066 -1.755 8.044 1.00 0.00 C ATOM 175 C LEU A 13 -5.349 -3.046 7.669 1.00 0.00 C ATOM 176 O LEU A 13 -5.265 -3.425 6.501 1.00 0.00 O ATOM 177 CB LEU A 13 -7.461 -1.723 7.398 1.00 0.00 C ATOM 178 CG LEU A 13 -8.265 -0.456 7.696 1.00 0.00 C ATOM 179 CD1 LEU A 13 -9.624 -0.526 6.989 1.00 0.00 C ATOM 180 CD2 LEU A 13 -8.458 -0.289 9.208 1.00 0.00 C ATOM 0 H LEU A 13 -5.434 -0.345 6.654 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.130 -1.757 9.132 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.351 -1.823 6.318 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.028 -2.588 7.742 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.715 0.408 7.323 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -10.193 0.378 7.204 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.471 -0.611 5.913 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.176 -1.395 7.346 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.032 0.617 9.404 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.995 -1.151 9.604 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.485 -0.214 9.693 1.00 0.00 H new ATOM 192 N ILE A 14 -4.884 -3.746 8.695 1.00 0.00 N ATOM 193 CA ILE A 14 -4.141 -5.008 8.588 1.00 0.00 C ATOM 194 C ILE A 14 -5.097 -6.196 8.790 1.00 0.00 C ATOM 195 O ILE A 14 -5.821 -6.238 9.784 1.00 0.00 O ATOM 196 CB ILE A 14 -2.977 -5.064 9.615 1.00 0.00 C ATOM 197 CG1 ILE A 14 -2.181 -3.737 9.702 1.00 0.00 C ATOM 198 CG2 ILE A 14 -2.035 -6.233 9.257 1.00 0.00 C ATOM 199 CD1 ILE A 14 -1.059 -3.756 10.742 1.00 0.00 C ATOM 0 H ILE A 14 -5.015 -3.446 9.661 1.00 0.00 H new ATOM 0 HA ILE A 14 -3.705 -5.067 7.591 1.00 0.00 H new ATOM 0 HB ILE A 14 -3.417 -5.223 10.599 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.753 -3.516 8.724 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.870 -2.926 9.939 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -1.217 -6.275 9.976 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.591 -7.170 9.285 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -1.631 -6.081 8.256 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.548 -2.793 10.744 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.481 -3.945 11.729 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.347 -4.544 10.495 1.00 0.00 H new ATOM 211 N GLU A 15 -5.073 -7.162 7.873 1.00 0.00 N ATOM 212 CA GLU A 15 -5.734 -8.463 7.997 1.00 0.00 C ATOM 213 C GLU A 15 -4.690 -9.466 8.501 1.00 0.00 C ATOM 214 O GLU A 15 -3.659 -9.654 7.853 1.00 0.00 O ATOM 215 CB GLU A 15 -6.264 -8.950 6.637 1.00 0.00 C ATOM 216 CG GLU A 15 -7.355 -8.058 6.051 1.00 0.00 C ATOM 217 CD GLU A 15 -7.911 -8.662 4.753 1.00 0.00 C ATOM 218 OE1 GLU A 15 -7.251 -8.538 3.691 1.00 0.00 O ATOM 219 OE2 GLU A 15 -9.013 -9.263 4.782 1.00 0.00 O ATOM 0 H GLU A 15 -4.574 -7.057 6.989 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.577 -8.375 8.682 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.434 -9.006 5.932 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -6.655 -9.961 6.750 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.160 -7.936 6.775 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.952 -7.065 5.852 1.00 0.00 H new ATOM 226 N ILE A 16 -4.927 -10.100 9.651 1.00 0.00 N ATOM 227 CA ILE A 16 -3.972 -11.007 10.311 1.00 0.00 C ATOM 228 C ILE A 16 -4.598 -12.392 10.479 1.00 0.00 C ATOM 229 O ILE A 16 -5.621 -12.524 11.150 1.00 0.00 O ATOM 230 CB ILE A 16 -3.543 -10.428 11.686 1.00 0.00 C ATOM 231 CG1 ILE A 16 -2.906 -9.023 11.533 1.00 0.00 C ATOM 232 CG2 ILE A 16 -2.569 -11.414 12.366 1.00 0.00 C ATOM 233 CD1 ILE A 16 -2.640 -8.306 12.862 1.00 0.00 C ATOM 0 H ILE A 16 -5.803 -9.999 10.163 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.083 -11.101 9.688 1.00 0.00 H new ATOM 0 HB ILE A 16 -4.426 -10.306 12.313 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.966 -9.120 10.991 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -3.563 -8.403 10.923 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.263 -11.014 13.333 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.065 -12.374 12.511 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.691 -11.551 11.735 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -2.194 -7.331 12.666 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.579 -8.174 13.399 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -1.957 -8.902 13.467 1.00 0.00 H new ATOM 245 N PHE A 17 -3.975 -13.436 9.928 1.00 0.00 N ATOM 246 CA PHE A 17 -4.449 -14.824 10.000 1.00 0.00 C ATOM 247 C PHE A 17 -4.154 -15.452 11.379 1.00 0.00 C ATOM 248 O PHE A 17 -3.315 -16.343 11.522 1.00 0.00 O ATOM 249 CB PHE A 17 -3.845 -15.604 8.818 1.00 0.00 C ATOM 250 CG PHE A 17 -4.429 -16.992 8.611 1.00 0.00 C ATOM 251 CD1 PHE A 17 -5.747 -17.138 8.137 1.00 0.00 C ATOM 252 CD2 PHE A 17 -3.649 -18.140 8.855 1.00 0.00 C ATOM 253 CE1 PHE A 17 -6.280 -18.417 7.899 1.00 0.00 C ATOM 254 CE2 PHE A 17 -4.185 -19.421 8.627 1.00 0.00 C ATOM 255 CZ PHE A 17 -5.497 -19.559 8.140 1.00 0.00 C ATOM 0 H PHE A 17 -3.104 -13.339 9.405 1.00 0.00 H new ATOM 0 HA PHE A 17 -5.534 -14.862 9.908 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.988 -15.024 7.906 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.770 -15.696 8.972 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.352 -16.262 7.955 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -2.637 -18.036 9.218 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.290 -18.522 7.531 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -3.588 -20.299 8.826 1.00 0.00 H new ATOM 0 HZ PHE A 17 -5.903 -20.542 7.951 1.00 0.00 H new ATOM 265 N ARG A 18 -4.830 -14.946 12.417 1.00 0.00 N ATOM 266 CA ARG A 18 -4.567 -15.260 13.828 1.00 0.00 C ATOM 267 C ARG A 18 -4.836 -16.730 14.188 1.00 0.00 C ATOM 268 O ARG A 18 -4.014 -17.349 14.866 1.00 0.00 O ATOM 269 CB ARG A 18 -5.400 -14.293 14.692 1.00 0.00 C ATOM 270 CG ARG A 18 -5.284 -14.485 16.216 1.00 0.00 C ATOM 271 CD ARG A 18 -3.836 -14.452 16.713 1.00 0.00 C ATOM 272 NE ARG A 18 -3.753 -14.465 18.184 1.00 0.00 N ATOM 273 CZ ARG A 18 -2.677 -14.168 18.908 1.00 0.00 C ATOM 274 NH1 ARG A 18 -1.551 -13.784 18.346 1.00 0.00 N ATOM 275 NH2 ARG A 18 -2.722 -14.245 20.220 1.00 0.00 N ATOM 0 H ARG A 18 -5.599 -14.287 12.296 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.504 -15.123 14.025 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.103 -13.272 14.450 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.448 -14.396 14.411 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.853 -13.704 16.720 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.736 -15.438 16.492 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.296 -15.310 16.313 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.342 -13.558 16.331 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.597 -14.725 18.694 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -1.488 -13.708 17.331 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -0.741 -13.562 18.926 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.583 -14.533 20.685 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -1.896 -14.017 20.773 1.00 0.00 H new ATOM 289 N LEU A 19 -5.989 -17.270 13.777 1.00 0.00 N ATOM 290 CA LEU A 19 -6.587 -18.457 14.413 1.00 0.00 C ATOM 291 C LEU A 19 -7.382 -19.331 13.412 1.00 0.00 C ATOM 292 O LEU A 19 -8.453 -19.859 13.723 1.00 0.00 O ATOM 293 CB LEU A 19 -7.400 -17.956 15.640 1.00 0.00 C ATOM 294 CG LEU A 19 -6.700 -18.180 16.997 1.00 0.00 C ATOM 295 CD1 LEU A 19 -7.469 -17.439 18.100 1.00 0.00 C ATOM 296 CD2 LEU A 19 -6.607 -19.671 17.363 1.00 0.00 C ATOM 0 H LEU A 19 -6.534 -16.901 12.998 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.818 -19.144 14.765 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -7.601 -16.891 15.519 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -8.365 -18.463 15.654 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.685 -17.792 16.909 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.974 -17.598 19.058 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.491 -16.373 17.875 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.489 -17.820 18.151 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.107 -19.779 18.326 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -7.610 -20.094 17.426 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.038 -20.199 16.598 1.00 0.00 H new ATOM 308 N GLY A 20 -6.874 -19.456 12.177 1.00 0.00 N ATOM 309 CA GLY A 20 -7.577 -20.116 11.058 1.00 0.00 C ATOM 310 C GLY A 20 -8.588 -19.196 10.358 1.00 0.00 C ATOM 311 O GLY A 20 -9.462 -19.667 9.628 1.00 0.00 O ATOM 0 H GLY A 20 -5.954 -19.099 11.920 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -6.844 -20.462 10.329 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.096 -20.999 11.432 1.00 0.00 H new ATOM 315 N TYR A 21 -8.470 -17.886 10.594 1.00 0.00 N ATOM 316 CA TYR A 21 -9.386 -16.812 10.193 1.00 0.00 C ATOM 317 C TYR A 21 -8.655 -15.456 10.271 1.00 0.00 C ATOM 318 O TYR A 21 -7.766 -15.287 11.113 1.00 0.00 O ATOM 319 CB TYR A 21 -10.614 -16.852 11.121 1.00 0.00 C ATOM 320 CG TYR A 21 -11.682 -15.807 10.848 1.00 0.00 C ATOM 321 CD1 TYR A 21 -12.443 -15.868 9.663 1.00 0.00 C ATOM 322 CD2 TYR A 21 -11.944 -14.796 11.795 1.00 0.00 C ATOM 323 CE1 TYR A 21 -13.468 -14.930 9.428 1.00 0.00 C ATOM 324 CE2 TYR A 21 -12.960 -13.851 11.562 1.00 0.00 C ATOM 325 CZ TYR A 21 -13.729 -13.919 10.380 1.00 0.00 C ATOM 326 OH TYR A 21 -14.727 -13.019 10.170 1.00 0.00 O ATOM 0 H TYR A 21 -7.670 -17.520 11.110 1.00 0.00 H new ATOM 0 HA TYR A 21 -9.720 -16.947 9.164 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -11.070 -17.839 11.046 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -10.273 -16.736 12.150 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -12.240 -16.637 8.932 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -11.362 -14.747 12.704 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -14.053 -14.984 8.522 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -13.152 -13.074 12.287 1.00 0.00 H new ATOM 0 HH TYR A 21 -14.769 -12.395 10.925 1.00 0.00 H new ATOM 336 N GLU A 22 -8.985 -14.508 9.387 1.00 0.00 N ATOM 337 CA GLU A 22 -8.316 -13.202 9.332 1.00 0.00 C ATOM 338 C GLU A 22 -9.015 -12.175 10.236 1.00 0.00 C ATOM 339 O GLU A 22 -10.173 -11.813 10.023 1.00 0.00 O ATOM 340 CB GLU A 22 -8.180 -12.688 7.890 1.00 0.00 C ATOM 341 CG GLU A 22 -7.209 -13.565 7.086 1.00 0.00 C ATOM 342 CD GLU A 22 -6.926 -12.989 5.691 1.00 0.00 C ATOM 343 OE1 GLU A 22 -7.780 -13.152 4.787 1.00 0.00 O ATOM 344 OE2 GLU A 22 -5.824 -12.431 5.481 1.00 0.00 O ATOM 0 H GLU A 22 -9.721 -14.623 8.691 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.305 -13.342 9.716 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.157 -12.684 7.407 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.824 -11.658 7.899 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -6.272 -13.663 7.634 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.625 -14.567 6.986 1.00 0.00 H new ATOM 351 N HIS A 23 -8.292 -11.698 11.247 1.00 0.00 N ATOM 352 CA HIS A 23 -8.723 -10.662 12.189 1.00 0.00 C ATOM 353 C HIS A 23 -8.240 -9.278 11.706 1.00 0.00 C ATOM 354 O HIS A 23 -7.131 -9.158 11.178 1.00 0.00 O ATOM 355 CB HIS A 23 -8.118 -10.948 13.580 1.00 0.00 C ATOM 356 CG HIS A 23 -8.541 -12.219 14.291 1.00 0.00 C ATOM 357 ND1 HIS A 23 -8.370 -12.455 15.638 1.00 0.00 N ATOM 358 CD2 HIS A 23 -9.086 -13.362 13.761 1.00 0.00 C ATOM 359 CE1 HIS A 23 -8.795 -13.705 15.906 1.00 0.00 C ATOM 360 NE2 HIS A 23 -9.243 -14.302 14.788 1.00 0.00 N ATOM 0 H HIS A 23 -7.350 -12.036 11.442 1.00 0.00 H new ATOM 0 HA HIS A 23 -9.811 -10.667 12.249 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -7.033 -10.969 13.475 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -8.359 -10.106 14.229 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -9.350 -13.512 12.725 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -8.778 -14.164 16.884 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -9.620 -15.246 14.704 1.00 0.00 H new ATOM 368 N TRP A 24 -9.029 -8.219 11.932 1.00 0.00 N ATOM 369 CA TRP A 24 -8.626 -6.841 11.618 1.00 0.00 C ATOM 370 C TRP A 24 -7.785 -6.184 12.721 1.00 0.00 C ATOM 371 O TRP A 24 -8.065 -6.335 13.916 1.00 0.00 O ATOM 372 CB TRP A 24 -9.855 -5.965 11.355 1.00 0.00 C ATOM 373 CG TRP A 24 -10.526 -6.132 10.028 1.00 0.00 C ATOM 374 CD1 TRP A 24 -11.817 -6.482 9.864 1.00 0.00 C ATOM 375 CD2 TRP A 24 -10.024 -5.839 8.686 1.00 0.00 C ATOM 376 NE1 TRP A 24 -12.138 -6.496 8.521 1.00 0.00 N ATOM 377 CE2 TRP A 24 -11.074 -6.079 7.749 1.00 0.00 C ATOM 378 CE3 TRP A 24 -8.805 -5.350 8.170 1.00 0.00 C ATOM 379 CZ2 TRP A 24 -10.919 -5.866 6.370 1.00 0.00 C ATOM 380 CZ3 TRP A 24 -8.642 -5.125 6.790 1.00 0.00 C ATOM 381 CH2 TRP A 24 -9.690 -5.389 5.889 1.00 0.00 C ATOM 0 H TRP A 24 -9.962 -8.293 12.337 1.00 0.00 H new ATOM 0 HA TRP A 24 -8.005 -6.914 10.725 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -10.589 -6.165 12.135 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -9.558 -4.921 11.457 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -12.501 -6.717 10.666 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -13.045 -6.778 8.148 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -7.986 -5.146 8.843 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -11.733 -6.066 5.690 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -7.702 -4.745 6.419 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -9.549 -5.225 4.831 1.00 0.00 H new ATOM 392 N ALA A 25 -6.826 -5.354 12.303 1.00 0.00 N ATOM 393 CA ALA A 25 -6.054 -4.467 13.172 1.00 0.00 C ATOM 394 C ALA A 25 -5.741 -3.107 12.517 1.00 0.00 C ATOM 395 O ALA A 25 -5.624 -3.005 11.297 1.00 0.00 O ATOM 396 CB ALA A 25 -4.779 -5.208 13.604 1.00 0.00 C ATOM 0 H ALA A 25 -6.559 -5.280 11.321 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.654 -4.222 14.049 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.187 -4.564 14.254 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.051 -6.116 14.142 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.194 -5.470 12.722 1.00 0.00 H new ATOM 402 N LEU A 26 -5.587 -2.071 13.346 1.00 0.00 N ATOM 403 CA LEU A 26 -5.244 -0.692 12.988 1.00 0.00 C ATOM 404 C LEU A 26 -3.828 -0.395 13.492 1.00 0.00 C ATOM 405 O LEU A 26 -3.583 -0.467 14.698 1.00 0.00 O ATOM 406 CB LEU A 26 -6.291 0.228 13.658 1.00 0.00 C ATOM 407 CG LEU A 26 -6.422 1.686 13.167 1.00 0.00 C ATOM 408 CD1 LEU A 26 -5.118 2.490 13.212 1.00 0.00 C ATOM 409 CD2 LEU A 26 -7.026 1.749 11.761 1.00 0.00 C ATOM 0 H LEU A 26 -5.707 -2.181 14.353 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.258 -0.529 11.910 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.266 -0.246 13.548 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.070 0.258 14.725 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.098 2.159 13.880 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.302 3.502 12.850 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.752 2.532 14.238 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.372 2.008 12.580 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.105 2.789 11.445 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.386 1.206 11.065 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.018 1.297 11.770 1.00 0.00 H new ATOM 421 N TYR A 27 -2.895 -0.051 12.602 1.00 0.00 N ATOM 422 CA TYR A 27 -1.506 0.296 12.967 1.00 0.00 C ATOM 423 C TYR A 27 -1.423 1.690 13.631 1.00 0.00 C ATOM 424 O TYR A 27 -1.345 2.713 12.948 1.00 0.00 O ATOM 425 CB TYR A 27 -0.636 0.176 11.700 1.00 0.00 C ATOM 426 CG TYR A 27 0.846 -0.103 11.900 1.00 0.00 C ATOM 427 CD1 TYR A 27 1.261 -1.334 12.443 1.00 0.00 C ATOM 428 CD2 TYR A 27 1.819 0.802 11.426 1.00 0.00 C ATOM 429 CE1 TYR A 27 2.628 -1.671 12.483 1.00 0.00 C ATOM 430 CE2 TYR A 27 3.185 0.474 11.457 1.00 0.00 C ATOM 431 CZ TYR A 27 3.592 -0.775 11.970 1.00 0.00 C ATOM 432 OH TYR A 27 4.908 -1.130 11.953 1.00 0.00 O ATOM 0 H TYR A 27 -3.076 -0.003 11.599 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.127 -0.396 13.719 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -1.049 -0.620 11.080 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -0.732 1.103 11.135 1.00 0.00 H new ATOM 0 HD1 TYR A 27 0.527 -2.024 12.831 1.00 0.00 H new ATOM 0 HD2 TYR A 27 1.510 1.760 11.034 1.00 0.00 H new ATOM 0 HE1 TYR A 27 2.939 -2.615 12.906 1.00 0.00 H new ATOM 0 HE2 TYR A 27 3.920 1.175 11.090 1.00 0.00 H new ATOM 0 HH TYR A 27 5.438 -0.402 11.568 1.00 0.00 H new ATOM 442 N ILE A 28 -1.484 1.759 14.968 1.00 0.00 N ATOM 443 CA ILE A 28 -1.481 3.037 15.726 1.00 0.00 C ATOM 444 C ILE A 28 -0.090 3.647 15.947 1.00 0.00 C ATOM 445 O ILE A 28 0.017 4.848 16.206 1.00 0.00 O ATOM 446 CB ILE A 28 -2.210 2.911 17.082 1.00 0.00 C ATOM 447 CG1 ILE A 28 -1.676 1.743 17.943 1.00 0.00 C ATOM 448 CG2 ILE A 28 -3.725 2.811 16.847 1.00 0.00 C ATOM 449 CD1 ILE A 28 -1.961 1.917 19.440 1.00 0.00 C ATOM 0 H ILE A 28 -1.537 0.933 15.564 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.027 3.724 15.080 1.00 0.00 H new ATOM 0 HB ILE A 28 -2.004 3.812 17.660 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.126 0.812 17.600 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.600 1.651 17.793 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.237 2.722 17.805 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -4.073 3.706 16.331 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.942 1.934 16.237 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.561 1.064 19.988 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -1.488 2.832 19.797 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.037 1.979 19.601 1.00 0.00 H new ATOM 461 N GLY A 29 0.965 2.838 15.858 1.00 0.00 N ATOM 462 CA GLY A 29 2.359 3.260 16.003 1.00 0.00 C ATOM 463 C GLY A 29 3.296 2.284 15.314 1.00 0.00 C ATOM 464 O GLY A 29 2.845 1.293 14.744 1.00 0.00 O ATOM 0 H GLY A 29 0.871 1.839 15.677 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.488 4.255 15.578 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.614 3.330 17.061 1.00 0.00 H new ATOM 468 N ASP A 30 4.601 2.538 15.382 1.00 0.00 N ATOM 469 CA ASP A 30 5.596 1.675 14.745 1.00 0.00 C ATOM 470 C ASP A 30 5.676 0.308 15.463 1.00 0.00 C ATOM 471 O ASP A 30 6.320 0.150 16.507 1.00 0.00 O ATOM 472 CB ASP A 30 6.954 2.386 14.686 1.00 0.00 C ATOM 473 CG ASP A 30 8.019 1.532 13.979 1.00 0.00 C ATOM 474 OD1 ASP A 30 7.746 1.046 12.855 1.00 0.00 O ATOM 475 OD2 ASP A 30 9.130 1.369 14.538 1.00 0.00 O ATOM 0 H ASP A 30 4.997 3.339 15.874 1.00 0.00 H new ATOM 0 HA ASP A 30 5.290 1.473 13.719 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.844 3.336 14.162 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.287 2.617 15.698 1.00 0.00 H new ATOM 480 N GLY A 31 4.964 -0.674 14.910 1.00 0.00 N ATOM 481 CA GLY A 31 4.787 -2.021 15.450 1.00 0.00 C ATOM 482 C GLY A 31 3.665 -2.148 16.481 1.00 0.00 C ATOM 483 O GLY A 31 3.442 -3.253 16.959 1.00 0.00 O ATOM 0 H GLY A 31 4.470 -0.544 14.027 1.00 0.00 H new ATOM 0 HA2 GLY A 31 4.585 -2.706 14.626 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.723 -2.341 15.909 1.00 0.00 H new ATOM 487 N TYR A 32 2.948 -1.075 16.824 1.00 0.00 N ATOM 488 CA TYR A 32 1.812 -1.092 17.763 1.00 0.00 C ATOM 489 C TYR A 32 0.457 -1.109 17.034 1.00 0.00 C ATOM 490 O TYR A 32 0.264 -0.389 16.052 1.00 0.00 O ATOM 491 CB TYR A 32 1.898 0.114 18.706 1.00 0.00 C ATOM 492 CG TYR A 32 2.984 -0.002 19.757 1.00 0.00 C ATOM 493 CD1 TYR A 32 2.768 -0.800 20.898 1.00 0.00 C ATOM 494 CD2 TYR A 32 4.202 0.688 19.600 1.00 0.00 C ATOM 495 CE1 TYR A 32 3.764 -0.898 21.888 1.00 0.00 C ATOM 496 CE2 TYR A 32 5.200 0.598 20.591 1.00 0.00 C ATOM 497 CZ TYR A 32 4.982 -0.198 21.739 1.00 0.00 C ATOM 498 OH TYR A 32 5.944 -0.309 22.697 1.00 0.00 O ATOM 0 H TYR A 32 3.142 -0.146 16.450 1.00 0.00 H new ATOM 0 HA TYR A 32 1.875 -2.013 18.343 1.00 0.00 H new ATOM 0 HB2 TYR A 32 2.073 1.013 18.115 1.00 0.00 H new ATOM 0 HB3 TYR A 32 0.937 0.242 19.204 1.00 0.00 H new ATOM 0 HD1 TYR A 32 1.838 -1.337 21.013 1.00 0.00 H new ATOM 0 HD2 TYR A 32 4.371 1.288 18.718 1.00 0.00 H new ATOM 0 HE1 TYR A 32 3.597 -1.509 22.763 1.00 0.00 H new ATOM 0 HE2 TYR A 32 6.129 1.136 20.474 1.00 0.00 H new ATOM 0 HH TYR A 32 6.721 0.233 22.445 1.00 0.00 H new ATOM 508 N VAL A 33 -0.502 -1.898 17.535 1.00 0.00 N ATOM 509 CA VAL A 33 -1.806 -2.132 16.888 1.00 0.00 C ATOM 510 C VAL A 33 -2.987 -2.144 17.857 1.00 0.00 C ATOM 511 O VAL A 33 -2.866 -2.541 19.013 1.00 0.00 O ATOM 512 CB VAL A 33 -1.847 -3.457 16.085 1.00 0.00 C ATOM 513 CG1 VAL A 33 -0.980 -3.380 14.822 1.00 0.00 C ATOM 514 CG2 VAL A 33 -1.448 -4.706 16.894 1.00 0.00 C ATOM 0 H VAL A 33 -0.395 -2.401 18.416 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.909 -1.280 16.216 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.896 -3.573 15.814 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.034 -4.327 14.285 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.343 -2.578 14.180 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.054 -3.180 15.102 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.505 -5.587 16.255 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.429 -4.590 17.263 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.128 -4.826 17.738 1.00 0.00 H new ATOM 524 N ILE A 34 -4.145 -1.731 17.344 1.00 0.00 N ATOM 525 CA ILE A 34 -5.458 -1.878 17.992 1.00 0.00 C ATOM 526 C ILE A 34 -6.205 -2.923 17.166 1.00 0.00 C ATOM 527 O ILE A 34 -6.244 -2.806 15.947 1.00 0.00 O ATOM 528 CB ILE A 34 -6.217 -0.535 18.034 1.00 0.00 C ATOM 529 CG1 ILE A 34 -5.455 0.531 18.844 1.00 0.00 C ATOM 530 CG2 ILE A 34 -7.645 -0.716 18.582 1.00 0.00 C ATOM 531 CD1 ILE A 34 -5.231 0.218 20.326 1.00 0.00 C ATOM 0 H ILE A 34 -4.203 -1.269 16.436 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.361 -2.190 19.032 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.288 -0.179 17.006 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.483 0.688 18.376 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -6.000 1.472 18.771 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -8.153 0.248 18.599 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -8.196 -1.405 17.942 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.598 -1.119 19.594 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.685 1.038 20.793 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.194 0.094 20.821 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.654 -0.702 20.420 1.00 0.00 H new ATOM 543 N HIS A 35 -6.768 -3.957 17.776 1.00 0.00 N ATOM 544 CA HIS A 35 -7.309 -5.107 17.047 1.00 0.00 C ATOM 545 C HIS A 35 -8.557 -5.682 17.728 1.00 0.00 C ATOM 546 O HIS A 35 -8.683 -5.623 18.949 1.00 0.00 O ATOM 547 CB HIS A 35 -6.197 -6.165 16.910 1.00 0.00 C ATOM 548 CG HIS A 35 -5.710 -6.745 18.218 1.00 0.00 C ATOM 549 ND1 HIS A 35 -6.027 -7.983 18.732 1.00 0.00 N ATOM 550 CD2 HIS A 35 -4.862 -6.146 19.114 1.00 0.00 C ATOM 551 CE1 HIS A 35 -5.394 -8.119 19.911 1.00 0.00 C ATOM 552 NE2 HIS A 35 -4.679 -7.017 20.194 1.00 0.00 N ATOM 0 H HIS A 35 -6.865 -4.027 18.789 1.00 0.00 H new ATOM 0 HA HIS A 35 -7.631 -4.786 16.056 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.563 -6.977 16.282 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -5.350 -5.717 16.390 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -6.635 -8.675 18.295 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -4.413 -5.170 19.005 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -5.452 -8.993 20.543 1.00 0.00 H new ATOM 560 N LEU A 36 -9.478 -6.248 16.945 1.00 0.00 N ATOM 561 CA LEU A 36 -10.692 -6.879 17.463 1.00 0.00 C ATOM 562 C LEU A 36 -10.447 -8.366 17.722 1.00 0.00 C ATOM 563 O LEU A 36 -10.073 -9.108 16.814 1.00 0.00 O ATOM 564 CB LEU A 36 -11.841 -6.645 16.463 1.00 0.00 C ATOM 565 CG LEU A 36 -13.196 -7.276 16.850 1.00 0.00 C ATOM 566 CD1 LEU A 36 -13.695 -6.749 18.202 1.00 0.00 C ATOM 567 CD2 LEU A 36 -14.230 -6.971 15.763 1.00 0.00 C ATOM 0 H LEU A 36 -9.401 -6.281 15.928 1.00 0.00 H new ATOM 0 HA LEU A 36 -10.972 -6.433 18.417 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -11.981 -5.571 16.342 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -11.540 -7.039 15.492 1.00 0.00 H new ATOM 0 HG LEU A 36 -13.057 -8.353 16.940 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -14.651 -7.214 18.443 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -12.968 -6.990 18.977 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -13.821 -5.668 18.147 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -15.187 -7.416 16.036 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -14.347 -5.892 15.665 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -13.893 -7.388 14.814 1.00 0.00 H new ATOM 579 N ALA A 37 -10.690 -8.805 18.954 1.00 0.00 N ATOM 580 CA ALA A 37 -10.734 -10.208 19.348 1.00 0.00 C ATOM 581 C ALA A 37 -12.184 -10.712 19.123 1.00 0.00 C ATOM 582 O ALA A 37 -13.074 -10.212 19.819 1.00 0.00 O ATOM 583 CB ALA A 37 -10.282 -10.293 20.815 1.00 0.00 C ATOM 0 H ALA A 37 -10.868 -8.170 19.732 1.00 0.00 H new ATOM 0 HA ALA A 37 -10.069 -10.842 18.761 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -10.303 -11.332 21.143 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -9.268 -9.904 20.906 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -10.954 -9.702 21.438 1.00 0.00 H new ATOM 589 N PRO A 38 -12.454 -11.613 18.148 1.00 0.00 N ATOM 590 CA PRO A 38 -13.812 -12.016 17.754 1.00 0.00 C ATOM 591 C PRO A 38 -14.610 -12.714 18.875 1.00 0.00 C ATOM 592 O PRO A 38 -14.016 -13.158 19.863 1.00 0.00 O ATOM 593 CB PRO A 38 -13.642 -12.946 16.541 1.00 0.00 C ATOM 594 CG PRO A 38 -12.288 -12.558 15.969 1.00 0.00 C ATOM 595 CD PRO A 38 -11.496 -12.205 17.222 1.00 0.00 C ATOM 0 HA PRO A 38 -14.399 -11.127 17.520 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -13.665 -13.995 16.836 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -14.440 -12.802 15.812 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -11.830 -13.378 15.416 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -12.363 -11.714 15.284 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -11.033 -13.092 17.654 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -10.692 -11.506 16.992 1.00 0.00 H new ATOM 603 N PRO A 39 -15.946 -12.856 18.726 1.00 0.00 N ATOM 604 CA PRO A 39 -16.791 -13.541 19.701 1.00 0.00 C ATOM 605 C PRO A 39 -16.628 -15.066 19.602 1.00 0.00 C ATOM 606 O PRO A 39 -16.191 -15.603 18.585 1.00 0.00 O ATOM 607 CB PRO A 39 -18.219 -13.094 19.376 1.00 0.00 C ATOM 608 CG PRO A 39 -18.186 -12.862 17.867 1.00 0.00 C ATOM 609 CD PRO A 39 -16.743 -12.456 17.569 1.00 0.00 C ATOM 0 HA PRO A 39 -16.521 -13.290 20.727 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -18.950 -13.855 19.649 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -18.488 -12.186 19.916 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -18.465 -13.764 17.321 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -18.886 -12.081 17.571 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -16.383 -12.945 16.664 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -16.670 -11.381 17.402 1.00 0.00 H new ATOM 617 N SER A 40 -17.011 -15.781 20.664 1.00 0.00 N ATOM 618 CA SER A 40 -16.867 -17.250 20.757 1.00 0.00 C ATOM 619 C SER A 40 -17.973 -18.032 20.008 1.00 0.00 C ATOM 620 O SER A 40 -18.022 -19.263 20.077 1.00 0.00 O ATOM 621 CB SER A 40 -16.802 -17.678 22.234 1.00 0.00 C ATOM 622 OG SER A 40 -15.776 -16.989 22.947 1.00 0.00 O ATOM 0 H SER A 40 -17.433 -15.361 21.492 1.00 0.00 H new ATOM 0 HA SER A 40 -15.933 -17.505 20.256 1.00 0.00 H new ATOM 0 HB2 SER A 40 -17.764 -17.487 22.709 1.00 0.00 H new ATOM 0 HB3 SER A 40 -16.625 -18.752 22.293 1.00 0.00 H new ATOM 0 HG SER A 40 -15.661 -17.397 23.831 1.00 0.00 H new ATOM 628 N GLU A 41 -18.855 -17.331 19.285 1.00 0.00 N ATOM 629 CA GLU A 41 -19.948 -17.888 18.481 1.00 0.00 C ATOM 630 C GLU A 41 -19.896 -17.366 17.035 1.00 0.00 C ATOM 631 O GLU A 41 -19.449 -16.247 16.772 1.00 0.00 O ATOM 632 CB GLU A 41 -21.316 -17.504 19.073 1.00 0.00 C ATOM 633 CG GLU A 41 -21.519 -17.944 20.527 1.00 0.00 C ATOM 634 CD GLU A 41 -22.902 -17.507 21.020 1.00 0.00 C ATOM 635 OE1 GLU A 41 -23.029 -16.342 21.468 1.00 0.00 O ATOM 636 OE2 GLU A 41 -23.858 -18.314 20.970 1.00 0.00 O ATOM 0 H GLU A 41 -18.824 -16.312 19.243 1.00 0.00 H new ATOM 0 HA GLU A 41 -19.825 -18.971 18.489 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -21.434 -16.422 19.013 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -22.101 -17.945 18.459 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -21.422 -19.027 20.605 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -20.745 -17.509 21.159 1.00 0.00 H new ATOM 643 N TYR A 42 -20.421 -18.164 16.104 1.00 0.00 N ATOM 644 CA TYR A 42 -20.489 -17.890 14.659 1.00 0.00 C ATOM 645 C TYR A 42 -21.568 -18.780 13.992 1.00 0.00 C ATOM 646 O TYR A 42 -21.932 -19.810 14.574 1.00 0.00 O ATOM 647 CB TYR A 42 -19.085 -18.076 14.036 1.00 0.00 C ATOM 648 CG TYR A 42 -18.451 -19.445 14.221 1.00 0.00 C ATOM 649 CD1 TYR A 42 -18.658 -20.460 13.265 1.00 0.00 C ATOM 650 CD2 TYR A 42 -17.632 -19.696 15.340 1.00 0.00 C ATOM 651 CE1 TYR A 42 -18.058 -21.723 13.430 1.00 0.00 C ATOM 652 CE2 TYR A 42 -17.034 -20.959 15.515 1.00 0.00 C ATOM 653 CZ TYR A 42 -17.248 -21.980 14.559 1.00 0.00 C ATOM 654 OH TYR A 42 -16.685 -23.208 14.726 1.00 0.00 O ATOM 0 H TYR A 42 -20.832 -19.066 16.345 1.00 0.00 H new ATOM 0 HA TYR A 42 -20.791 -16.857 14.485 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -19.153 -17.870 12.968 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -18.418 -17.328 14.463 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -19.279 -20.268 12.403 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -17.462 -18.916 16.067 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -18.217 -22.496 12.693 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -16.413 -21.148 16.378 1.00 0.00 H new ATOM 0 HH TYR A 42 -16.158 -23.217 15.552 1.00 0.00 H new ATOM 664 N PRO A 43 -22.102 -18.423 12.803 1.00 0.00 N ATOM 665 CA PRO A 43 -23.109 -19.235 12.124 1.00 0.00 C ATOM 666 C PRO A 43 -22.529 -20.609 11.760 1.00 0.00 C ATOM 667 O PRO A 43 -21.536 -20.708 11.038 1.00 0.00 O ATOM 668 CB PRO A 43 -23.558 -18.424 10.902 1.00 0.00 C ATOM 669 CG PRO A 43 -22.391 -17.472 10.643 1.00 0.00 C ATOM 670 CD PRO A 43 -21.848 -17.203 12.046 1.00 0.00 C ATOM 0 HA PRO A 43 -23.971 -19.446 12.757 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -23.747 -19.068 10.043 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -24.481 -17.880 11.101 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -21.637 -17.924 9.998 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -22.719 -16.555 10.155 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -20.783 -16.974 12.017 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -22.346 -16.347 12.502 1.00 0.00 H new ATOM 678 N GLY A 44 -23.150 -21.669 12.296 1.00 0.00 N ATOM 679 CA GLY A 44 -22.707 -23.061 12.132 1.00 0.00 C ATOM 680 C GLY A 44 -21.679 -23.553 13.159 1.00 0.00 C ATOM 681 O GLY A 44 -21.076 -24.606 12.948 1.00 0.00 O ATOM 0 H GLY A 44 -23.991 -21.581 12.867 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -23.581 -23.710 12.180 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -22.281 -23.173 11.135 1.00 0.00 H new ATOM 685 N ALA A 45 -21.482 -22.822 14.259 1.00 0.00 N ATOM 686 CA ALA A 45 -20.608 -23.224 15.370 1.00 0.00 C ATOM 687 C ALA A 45 -21.102 -24.490 16.105 1.00 0.00 C ATOM 688 O ALA A 45 -22.298 -24.789 16.120 1.00 0.00 O ATOM 689 CB ALA A 45 -20.462 -22.047 16.345 1.00 0.00 C ATOM 0 H ALA A 45 -21.932 -21.919 14.408 1.00 0.00 H new ATOM 0 HA ALA A 45 -19.637 -23.486 14.950 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -19.815 -22.338 17.172 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -20.025 -21.195 15.824 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -21.443 -21.771 16.732 1.00 0.00 H new ATOM 695 N GLY A 46 -20.171 -25.190 16.767 1.00 0.00 N ATOM 696 CA GLY A 46 -20.416 -26.412 17.545 1.00 0.00 C ATOM 697 C GLY A 46 -20.176 -27.680 16.725 1.00 0.00 C ATOM 698 O GLY A 46 -20.836 -27.911 15.715 1.00 0.00 O ATOM 0 H GLY A 46 -19.190 -24.910 16.776 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -19.766 -26.419 18.420 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -21.443 -26.407 17.911 1.00 0.00 H new ATOM 702 N SER A 47 -19.242 -28.521 17.174 1.00 0.00 N ATOM 703 CA SER A 47 -18.786 -29.711 16.431 1.00 0.00 C ATOM 704 C SER A 47 -19.651 -30.967 16.658 1.00 0.00 C ATOM 705 O SER A 47 -19.687 -31.855 15.803 1.00 0.00 O ATOM 706 CB SER A 47 -17.325 -30.000 16.810 1.00 0.00 C ATOM 707 OG SER A 47 -17.152 -30.124 18.217 1.00 0.00 O ATOM 0 H SER A 47 -18.773 -28.399 18.071 1.00 0.00 H new ATOM 0 HA SER A 47 -18.881 -29.479 15.370 1.00 0.00 H new ATOM 0 HB2 SER A 47 -16.999 -30.919 16.323 1.00 0.00 H new ATOM 0 HB3 SER A 47 -16.688 -29.198 16.436 1.00 0.00 H new ATOM 0 HG SER A 47 -16.210 -30.309 18.416 1.00 0.00 H new ATOM 713 N SER A 48 -20.372 -31.062 17.782 1.00 0.00 N ATOM 714 CA SER A 48 -21.180 -32.243 18.140 1.00 0.00 C ATOM 715 C SER A 48 -22.555 -32.302 17.441 1.00 0.00 C ATOM 716 O SER A 48 -23.150 -33.377 17.334 1.00 0.00 O ATOM 717 CB SER A 48 -21.362 -32.294 19.664 1.00 0.00 C ATOM 718 OG SER A 48 -21.970 -31.114 20.177 1.00 0.00 O ATOM 0 H SER A 48 -20.414 -30.317 18.477 1.00 0.00 H new ATOM 0 HA SER A 48 -20.629 -33.114 17.785 1.00 0.00 H new ATOM 0 HB2 SER A 48 -21.973 -33.158 19.926 1.00 0.00 H new ATOM 0 HB3 SER A 48 -20.391 -32.435 20.139 1.00 0.00 H new ATOM 0 HG SER A 48 -22.944 -31.223 20.181 1.00 0.00 H new ATOM 724 N SER A 49 -23.052 -31.167 16.935 1.00 0.00 N ATOM 725 CA SER A 49 -24.366 -31.010 16.285 1.00 0.00 C ATOM 726 C SER A 49 -24.516 -29.591 15.703 1.00 0.00 C ATOM 727 O SER A 49 -24.356 -29.396 14.495 1.00 0.00 O ATOM 728 CB SER A 49 -25.526 -31.356 17.251 1.00 0.00 C ATOM 729 OG SER A 49 -25.508 -30.570 18.440 1.00 0.00 O ATOM 0 H SER A 49 -22.529 -30.292 16.967 1.00 0.00 H new ATOM 0 HA SER A 49 -24.420 -31.720 15.460 1.00 0.00 H new ATOM 0 HB2 SER A 49 -26.476 -31.209 16.738 1.00 0.00 H new ATOM 0 HB3 SER A 49 -25.468 -32.411 17.518 1.00 0.00 H new ATOM 0 HG SER A 49 -26.260 -30.827 19.013 1.00 0.00 H new ATOM 735 N VAL A 50 -24.789 -28.610 16.571 1.00 0.00 N ATOM 736 CA VAL A 50 -24.989 -27.177 16.296 1.00 0.00 C ATOM 737 C VAL A 50 -25.178 -26.419 17.621 1.00 0.00 C ATOM 738 O VAL A 50 -25.711 -26.975 18.580 1.00 0.00 O ATOM 739 CB VAL A 50 -26.147 -26.901 15.296 1.00 0.00 C ATOM 740 CG1 VAL A 50 -27.507 -27.429 15.785 1.00 0.00 C ATOM 741 CG2 VAL A 50 -26.263 -25.406 14.949 1.00 0.00 C ATOM 0 H VAL A 50 -24.884 -28.812 17.566 1.00 0.00 H new ATOM 0 HA VAL A 50 -24.092 -26.806 15.800 1.00 0.00 H new ATOM 0 HB VAL A 50 -25.884 -27.454 14.394 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -28.273 -27.205 15.042 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -27.448 -28.508 15.931 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -27.766 -26.949 16.729 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -27.084 -25.258 14.248 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -26.454 -24.835 15.858 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -25.333 -25.065 14.495 1.00 0.00 H new ATOM 751 N PHE A 51 -24.680 -25.177 17.668 1.00 0.00 N ATOM 752 CA PHE A 51 -24.685 -24.233 18.798 1.00 0.00 C ATOM 753 C PHE A 51 -23.939 -24.715 20.063 1.00 0.00 C ATOM 754 O PHE A 51 -24.009 -24.079 21.113 1.00 0.00 O ATOM 755 CB PHE A 51 -26.089 -23.634 19.054 1.00 0.00 C ATOM 756 CG PHE A 51 -27.194 -24.564 19.528 1.00 0.00 C ATOM 757 CD1 PHE A 51 -27.229 -25.018 20.863 1.00 0.00 C ATOM 758 CD2 PHE A 51 -28.227 -24.940 18.644 1.00 0.00 C ATOM 759 CE1 PHE A 51 -28.271 -25.854 21.302 1.00 0.00 C ATOM 760 CE2 PHE A 51 -29.265 -25.782 19.082 1.00 0.00 C ATOM 761 CZ PHE A 51 -29.288 -26.240 20.411 1.00 0.00 C ATOM 0 H PHE A 51 -24.225 -24.771 16.850 1.00 0.00 H new ATOM 0 HA PHE A 51 -24.063 -23.397 18.478 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -25.982 -22.841 19.794 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -26.424 -23.164 18.129 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -26.451 -24.722 21.552 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -28.221 -24.580 17.626 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -28.290 -26.200 22.325 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -30.046 -26.077 18.396 1.00 0.00 H new ATOM 0 HZ PHE A 51 -30.085 -26.887 20.747 1.00 0.00 H new ATOM 771 N SER A 52 -23.159 -25.794 19.964 1.00 0.00 N ATOM 772 CA SER A 52 -22.406 -26.473 21.038 1.00 0.00 C ATOM 773 C SER A 52 -21.193 -25.671 21.588 1.00 0.00 C ATOM 774 O SER A 52 -20.116 -26.226 21.819 1.00 0.00 O ATOM 775 CB SER A 52 -21.956 -27.863 20.537 1.00 0.00 C ATOM 776 OG SER A 52 -22.917 -28.503 19.707 1.00 0.00 O ATOM 0 H SER A 52 -23.022 -26.256 19.065 1.00 0.00 H new ATOM 0 HA SER A 52 -23.087 -26.565 21.884 1.00 0.00 H new ATOM 0 HB2 SER A 52 -21.023 -27.757 19.984 1.00 0.00 H new ATOM 0 HB3 SER A 52 -21.747 -28.500 21.396 1.00 0.00 H new ATOM 0 HG SER A 52 -22.728 -29.464 19.669 1.00 0.00 H new ATOM 782 N VAL A 53 -21.343 -24.354 21.767 1.00 0.00 N ATOM 783 CA VAL A 53 -20.298 -23.386 22.153 1.00 0.00 C ATOM 784 C VAL A 53 -20.820 -22.390 23.198 1.00 0.00 C ATOM 785 O VAL A 53 -22.019 -22.113 23.259 1.00 0.00 O ATOM 786 CB VAL A 53 -19.743 -22.609 20.932 1.00 0.00 C ATOM 787 CG1 VAL A 53 -18.887 -23.512 20.029 1.00 0.00 C ATOM 788 CG2 VAL A 53 -20.848 -21.953 20.079 1.00 0.00 C ATOM 0 H VAL A 53 -22.249 -23.904 21.640 1.00 0.00 H new ATOM 0 HA VAL A 53 -19.485 -23.968 22.587 1.00 0.00 H new ATOM 0 HB VAL A 53 -19.125 -21.817 21.353 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -18.515 -22.933 19.184 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -18.045 -23.904 20.599 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -19.494 -24.340 19.663 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -20.395 -21.425 19.240 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -21.522 -22.723 19.702 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -21.410 -21.248 20.691 1.00 0.00 H new ATOM 798 N LEU A 54 -19.910 -21.848 24.019 1.00 0.00 N ATOM 799 CA LEU A 54 -20.205 -20.840 25.044 1.00 0.00 C ATOM 800 C LEU A 54 -20.495 -19.468 24.406 1.00 0.00 C ATOM 801 O LEU A 54 -19.792 -19.038 23.490 1.00 0.00 O ATOM 802 CB LEU A 54 -19.014 -20.790 26.025 1.00 0.00 C ATOM 803 CG LEU A 54 -19.157 -19.808 27.206 1.00 0.00 C ATOM 804 CD1 LEU A 54 -20.343 -20.158 28.120 1.00 0.00 C ATOM 805 CD2 LEU A 54 -17.860 -19.811 28.028 1.00 0.00 C ATOM 0 H LEU A 54 -18.924 -22.106 23.987 1.00 0.00 H new ATOM 0 HA LEU A 54 -21.107 -21.111 25.593 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -18.856 -21.791 26.427 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -18.117 -20.526 25.465 1.00 0.00 H new ATOM 0 HG LEU A 54 -19.347 -18.819 26.790 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -20.399 -19.437 28.935 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -21.268 -20.128 27.544 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -20.204 -21.158 28.530 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -17.957 -19.118 28.864 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -17.673 -20.815 28.409 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -17.028 -19.502 27.396 1.00 0.00 H new ATOM 817 N SER A 55 -21.508 -18.761 24.903 1.00 0.00 N ATOM 818 CA SER A 55 -21.821 -17.387 24.483 1.00 0.00 C ATOM 819 C SER A 55 -20.871 -16.351 25.113 1.00 0.00 C ATOM 820 O SER A 55 -20.548 -16.406 26.306 1.00 0.00 O ATOM 821 CB SER A 55 -23.296 -17.058 24.773 1.00 0.00 C ATOM 822 OG SER A 55 -23.668 -17.354 26.115 1.00 0.00 O ATOM 0 H SER A 55 -22.143 -19.124 25.614 1.00 0.00 H new ATOM 0 HA SER A 55 -21.664 -17.328 23.406 1.00 0.00 H new ATOM 0 HB2 SER A 55 -23.475 -16.001 24.575 1.00 0.00 H new ATOM 0 HB3 SER A 55 -23.932 -17.622 24.091 1.00 0.00 H new ATOM 0 HG SER A 55 -24.612 -17.127 26.251 1.00 0.00 H new ATOM 828 N ASN A 56 -20.406 -15.398 24.296 1.00 0.00 N ATOM 829 CA ASN A 56 -19.371 -14.416 24.642 1.00 0.00 C ATOM 830 C ASN A 56 -19.303 -13.312 23.579 1.00 0.00 C ATOM 831 O ASN A 56 -19.458 -13.596 22.390 1.00 0.00 O ATOM 832 CB ASN A 56 -18.010 -15.125 24.697 1.00 0.00 C ATOM 833 CG ASN A 56 -16.880 -14.290 25.283 1.00 0.00 C ATOM 834 OD1 ASN A 56 -17.083 -13.363 26.063 1.00 0.00 O ATOM 835 ND2 ASN A 56 -15.651 -14.610 24.920 1.00 0.00 N ATOM 0 H ASN A 56 -20.752 -15.286 23.343 1.00 0.00 H new ATOM 0 HA ASN A 56 -19.615 -13.972 25.607 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -18.114 -16.036 25.287 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -17.733 -15.429 23.688 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -14.858 -14.085 25.288 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -15.495 -15.382 24.272 1.00 0.00 H new ATOM 842 N SER A 57 -19.042 -12.068 23.967 1.00 0.00 N ATOM 843 CA SER A 57 -18.894 -10.948 23.031 1.00 0.00 C ATOM 844 C SER A 57 -17.442 -10.737 22.547 1.00 0.00 C ATOM 845 O SER A 57 -16.484 -11.263 23.121 1.00 0.00 O ATOM 846 CB SER A 57 -19.478 -9.670 23.664 1.00 0.00 C ATOM 847 OG SER A 57 -18.954 -9.433 24.964 1.00 0.00 O ATOM 0 H SER A 57 -18.926 -11.802 24.945 1.00 0.00 H new ATOM 0 HA SER A 57 -19.457 -11.196 22.131 1.00 0.00 H new ATOM 0 HB2 SER A 57 -19.259 -8.816 23.024 1.00 0.00 H new ATOM 0 HB3 SER A 57 -20.563 -9.757 23.721 1.00 0.00 H new ATOM 0 HG SER A 57 -19.347 -8.614 25.331 1.00 0.00 H new ATOM 853 N ALA A 58 -17.282 -9.966 21.462 1.00 0.00 N ATOM 854 CA ALA A 58 -15.987 -9.547 20.924 1.00 0.00 C ATOM 855 C ALA A 58 -15.420 -8.360 21.728 1.00 0.00 C ATOM 856 O ALA A 58 -16.199 -7.588 22.285 1.00 0.00 O ATOM 857 CB ALA A 58 -16.205 -9.172 19.451 1.00 0.00 C ATOM 0 H ALA A 58 -18.071 -9.609 20.923 1.00 0.00 H new ATOM 0 HA ALA A 58 -15.257 -10.353 21.002 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -15.259 -8.853 19.013 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -16.583 -10.038 18.907 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -16.928 -8.359 19.386 1.00 0.00 H new ATOM 863 N GLU A 59 -14.094 -8.172 21.752 1.00 0.00 N ATOM 864 CA GLU A 59 -13.429 -7.088 22.499 1.00 0.00 C ATOM 865 C GLU A 59 -12.380 -6.370 21.635 1.00 0.00 C ATOM 866 O GLU A 59 -11.574 -7.029 20.982 1.00 0.00 O ATOM 867 CB GLU A 59 -12.759 -7.649 23.771 1.00 0.00 C ATOM 868 CG GLU A 59 -12.340 -6.542 24.748 1.00 0.00 C ATOM 869 CD GLU A 59 -11.733 -7.135 26.028 1.00 0.00 C ATOM 870 OE1 GLU A 59 -12.497 -7.563 26.924 1.00 0.00 O ATOM 871 OE2 GLU A 59 -10.484 -7.184 26.141 1.00 0.00 O ATOM 0 H GLU A 59 -13.442 -8.774 21.248 1.00 0.00 H new ATOM 0 HA GLU A 59 -14.193 -6.363 22.780 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -13.448 -8.330 24.271 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.882 -8.232 23.490 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -11.615 -5.885 24.268 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -13.205 -5.930 25.002 1.00 0.00 H new ATOM 878 N VAL A 60 -12.351 -5.034 21.666 1.00 0.00 N ATOM 879 CA VAL A 60 -11.267 -4.235 21.058 1.00 0.00 C ATOM 880 C VAL A 60 -10.079 -4.168 22.030 1.00 0.00 C ATOM 881 O VAL A 60 -10.245 -3.751 23.175 1.00 0.00 O ATOM 882 CB VAL A 60 -11.724 -2.809 20.682 1.00 0.00 C ATOM 883 CG1 VAL A 60 -10.632 -2.089 19.866 1.00 0.00 C ATOM 884 CG2 VAL A 60 -13.015 -2.806 19.849 1.00 0.00 C ATOM 0 H VAL A 60 -13.075 -4.470 22.112 1.00 0.00 H new ATOM 0 HA VAL A 60 -10.970 -4.728 20.132 1.00 0.00 H new ATOM 0 HB VAL A 60 -11.911 -2.292 21.623 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -10.971 -1.085 19.610 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.719 -2.023 20.458 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -10.432 -2.649 18.952 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -13.292 -1.779 19.612 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -12.853 -3.361 18.925 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -13.817 -3.276 20.419 1.00 0.00 H new ATOM 894 N LYS A 61 -8.882 -4.559 21.575 1.00 0.00 N ATOM 895 CA LYS A 61 -7.662 -4.743 22.385 1.00 0.00 C ATOM 896 C LYS A 61 -6.437 -3.989 21.806 1.00 0.00 C ATOM 897 O LYS A 61 -6.398 -3.690 20.611 1.00 0.00 O ATOM 898 CB LYS A 61 -7.386 -6.260 22.499 1.00 0.00 C ATOM 899 CG LYS A 61 -8.558 -7.041 23.127 1.00 0.00 C ATOM 900 CD LYS A 61 -8.223 -8.524 23.354 1.00 0.00 C ATOM 901 CE LYS A 61 -7.419 -8.754 24.643 1.00 0.00 C ATOM 902 NZ LYS A 61 -8.282 -8.834 25.853 1.00 0.00 N ATOM 0 H LYS A 61 -8.726 -4.766 20.588 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.827 -4.312 23.372 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.179 -6.661 21.507 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.490 -6.416 23.099 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.827 -6.583 24.079 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -9.431 -6.964 22.478 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.148 -9.099 23.399 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.655 -8.899 22.503 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.846 -9.677 24.549 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -6.700 -7.944 24.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -7.687 -8.819 26.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.932 -8.022 25.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.831 -9.717 25.830 1.00 0.00 H new ATOM 916 N ARG A 62 -5.435 -3.678 22.648 1.00 0.00 N ATOM 917 CA ARG A 62 -4.143 -3.055 22.268 1.00 0.00 C ATOM 918 C ARG A 62 -2.982 -4.044 22.444 1.00 0.00 C ATOM 919 O ARG A 62 -2.922 -4.744 23.456 1.00 0.00 O ATOM 920 CB ARG A 62 -3.890 -1.791 23.115 1.00 0.00 C ATOM 921 CG ARG A 62 -2.591 -1.053 22.738 1.00 0.00 C ATOM 922 CD ARG A 62 -2.463 0.312 23.435 1.00 0.00 C ATOM 923 NE ARG A 62 -2.386 0.185 24.905 1.00 0.00 N ATOM 924 CZ ARG A 62 -1.308 -0.096 25.635 1.00 0.00 C ATOM 925 NH1 ARG A 62 -0.125 -0.313 25.096 1.00 0.00 N ATOM 926 NH2 ARG A 62 -1.414 -0.164 26.945 1.00 0.00 N ATOM 0 H ARG A 62 -5.500 -3.858 23.650 1.00 0.00 H new ATOM 0 HA ARG A 62 -4.200 -2.775 21.216 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.733 -1.110 22.999 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -3.848 -2.070 24.168 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -1.735 -1.674 23.003 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -2.559 -0.910 21.658 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -1.572 0.822 23.069 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -3.318 0.934 23.170 1.00 0.00 H new ATOM 0 HE ARG A 62 -3.256 0.329 25.418 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -0.010 -0.269 24.083 1.00 0.00 H new ATOM 0 HH12 ARG A 62 0.676 -0.525 25.691 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -2.316 -0.002 27.393 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -0.594 -0.379 27.513 1.00 0.00 H new ATOM 940 N GLU A 63 -2.044 -4.064 21.490 1.00 0.00 N ATOM 941 CA GLU A 63 -0.941 -5.035 21.415 1.00 0.00 C ATOM 942 C GLU A 63 0.078 -4.619 20.341 1.00 0.00 C ATOM 943 O GLU A 63 -0.156 -3.653 19.611 1.00 0.00 O ATOM 944 CB GLU A 63 -1.556 -6.425 21.130 1.00 0.00 C ATOM 945 CG GLU A 63 -0.637 -7.639 21.231 1.00 0.00 C ATOM 946 CD GLU A 63 0.198 -7.625 22.520 1.00 0.00 C ATOM 947 OE1 GLU A 63 -0.320 -8.027 23.589 1.00 0.00 O ATOM 948 OE2 GLU A 63 1.361 -7.158 22.473 1.00 0.00 O ATOM 0 H GLU A 63 -2.029 -3.387 20.727 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.392 -5.071 22.356 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.386 -6.573 21.821 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.978 -6.406 20.125 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.235 -8.550 21.197 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.029 -7.662 20.368 1.00 0.00 H new ATOM 955 N ARG A 64 1.208 -5.321 20.221 1.00 0.00 N ATOM 956 CA ARG A 64 2.152 -5.167 19.105 1.00 0.00 C ATOM 957 C ARG A 64 1.876 -6.155 17.966 1.00 0.00 C ATOM 958 O ARG A 64 1.521 -7.313 18.196 1.00 0.00 O ATOM 959 CB ARG A 64 3.605 -5.296 19.588 1.00 0.00 C ATOM 960 CG ARG A 64 4.023 -4.038 20.363 1.00 0.00 C ATOM 961 CD ARG A 64 5.518 -4.011 20.708 1.00 0.00 C ATOM 962 NE ARG A 64 6.377 -4.086 19.510 1.00 0.00 N ATOM 963 CZ ARG A 64 6.703 -3.126 18.656 1.00 0.00 C ATOM 964 NH1 ARG A 64 6.267 -1.885 18.758 1.00 0.00 N ATOM 965 NH2 ARG A 64 7.497 -3.450 17.663 1.00 0.00 N ATOM 0 H ARG A 64 1.499 -6.021 20.903 1.00 0.00 H new ATOM 0 HA ARG A 64 2.004 -4.163 18.707 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.707 -6.174 20.225 1.00 0.00 H new ATOM 0 HB3 ARG A 64 4.267 -5.443 18.735 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.777 -3.156 19.772 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.443 -3.976 21.284 1.00 0.00 H new ATOM 0 HD2 ARG A 64 5.744 -3.097 21.256 1.00 0.00 H new ATOM 0 HD3 ARG A 64 5.750 -4.845 21.370 1.00 0.00 H new ATOM 0 HE ARG A 64 6.775 -5.004 19.312 1.00 0.00 H new ATOM 0 HH11 ARG A 64 5.646 -1.624 19.524 1.00 0.00 H new ATOM 0 HH12 ARG A 64 6.551 -1.187 18.071 1.00 0.00 H new ATOM 0 HH21 ARG A 64 7.836 -4.408 17.573 1.00 0.00 H new ATOM 0 HH22 ARG A 64 7.775 -2.744 16.981 1.00 0.00 H new ATOM 979 N LEU A 65 2.098 -5.719 16.721 1.00 0.00 N ATOM 980 CA LEU A 65 1.824 -6.488 15.498 1.00 0.00 C ATOM 981 C LEU A 65 2.505 -7.857 15.545 1.00 0.00 C ATOM 982 O LEU A 65 1.823 -8.861 15.386 1.00 0.00 O ATOM 983 CB LEU A 65 2.250 -5.654 14.267 1.00 0.00 C ATOM 984 CG LEU A 65 2.014 -6.350 12.909 1.00 0.00 C ATOM 985 CD1 LEU A 65 0.531 -6.648 12.658 1.00 0.00 C ATOM 986 CD2 LEU A 65 2.537 -5.461 11.776 1.00 0.00 C ATOM 0 H LEU A 65 2.484 -4.795 16.529 1.00 0.00 H new ATOM 0 HA LEU A 65 0.755 -6.685 15.420 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.705 -4.710 14.277 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.309 -5.411 14.357 1.00 0.00 H new ATOM 0 HG LEU A 65 2.550 -7.299 12.936 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.417 -7.137 11.691 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.154 -7.303 13.443 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.033 -5.715 12.662 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.369 -5.955 10.819 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.010 -4.507 11.789 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.604 -5.288 11.913 1.00 0.00 H new ATOM 998 N GLU A 66 3.803 -7.896 15.858 1.00 0.00 N ATOM 999 CA GLU A 66 4.605 -9.130 15.970 1.00 0.00 C ATOM 1000 C GLU A 66 4.029 -10.169 16.964 1.00 0.00 C ATOM 1001 O GLU A 66 4.152 -11.375 16.737 1.00 0.00 O ATOM 1002 CB GLU A 66 6.058 -8.758 16.327 1.00 0.00 C ATOM 1003 CG GLU A 66 6.226 -8.148 17.730 1.00 0.00 C ATOM 1004 CD GLU A 66 7.603 -7.490 17.908 1.00 0.00 C ATOM 1005 OE1 GLU A 66 8.630 -8.210 17.934 1.00 0.00 O ATOM 1006 OE2 GLU A 66 7.656 -6.244 18.037 1.00 0.00 O ATOM 0 H GLU A 66 4.344 -7.052 16.046 1.00 0.00 H new ATOM 0 HA GLU A 66 4.572 -9.625 14.999 1.00 0.00 H new ATOM 0 HB2 GLU A 66 6.678 -9.651 16.255 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.432 -8.050 15.588 1.00 0.00 H new ATOM 0 HG2 GLU A 66 5.445 -7.407 17.899 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.096 -8.926 18.482 1.00 0.00 H new ATOM 1013 N ASP A 67 3.345 -9.724 18.026 1.00 0.00 N ATOM 1014 CA ASP A 67 2.647 -10.606 18.969 1.00 0.00 C ATOM 1015 C ASP A 67 1.275 -11.048 18.429 1.00 0.00 C ATOM 1016 O ASP A 67 0.919 -12.219 18.559 1.00 0.00 O ATOM 1017 CB ASP A 67 2.508 -9.902 20.322 1.00 0.00 C ATOM 1018 CG ASP A 67 1.926 -10.844 21.387 1.00 0.00 C ATOM 1019 OD1 ASP A 67 2.720 -11.560 22.045 1.00 0.00 O ATOM 1020 OD2 ASP A 67 0.684 -10.866 21.566 1.00 0.00 O ATOM 0 H ASP A 67 3.260 -8.734 18.256 1.00 0.00 H new ATOM 0 HA ASP A 67 3.240 -11.511 19.098 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.483 -9.541 20.648 1.00 0.00 H new ATOM 0 HB3 ASP A 67 1.864 -9.029 20.215 1.00 0.00 H new ATOM 1025 N VAL A 68 0.528 -10.143 17.779 1.00 0.00 N ATOM 1026 CA VAL A 68 -0.763 -10.469 17.140 1.00 0.00 C ATOM 1027 C VAL A 68 -0.577 -11.424 15.947 1.00 0.00 C ATOM 1028 O VAL A 68 -1.348 -12.373 15.816 1.00 0.00 O ATOM 1029 CB VAL A 68 -1.591 -9.222 16.727 1.00 0.00 C ATOM 1030 CG1 VAL A 68 -2.986 -9.612 16.198 1.00 0.00 C ATOM 1031 CG2 VAL A 68 -1.823 -8.266 17.906 1.00 0.00 C ATOM 0 H VAL A 68 0.798 -9.165 17.680 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.346 -10.978 17.908 1.00 0.00 H new ATOM 0 HB VAL A 68 -1.003 -8.734 15.950 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.534 -8.712 15.920 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.877 -10.255 15.325 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.534 -10.145 16.975 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.406 -7.409 17.570 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.365 -8.787 18.695 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.863 -7.923 18.291 1.00 0.00 H new ATOM 1041 N VAL A 69 0.449 -11.241 15.109 1.00 0.00 N ATOM 1042 CA VAL A 69 0.742 -12.134 13.978 1.00 0.00 C ATOM 1043 C VAL A 69 1.258 -13.503 14.440 1.00 0.00 C ATOM 1044 O VAL A 69 0.843 -14.515 13.883 1.00 0.00 O ATOM 1045 CB VAL A 69 1.707 -11.474 12.963 1.00 0.00 C ATOM 1046 CG1 VAL A 69 1.099 -10.190 12.372 1.00 0.00 C ATOM 1047 CG2 VAL A 69 3.112 -11.240 13.511 1.00 0.00 C ATOM 0 H VAL A 69 1.105 -10.465 15.195 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.202 -12.309 13.463 1.00 0.00 H new ATOM 0 HB VAL A 69 1.832 -12.194 12.154 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.799 -9.749 11.663 1.00 0.00 H new ATOM 0 HG12 VAL A 69 0.167 -10.431 11.860 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.899 -9.480 13.174 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.730 -10.775 12.743 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.059 -10.584 14.380 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.552 -12.194 13.802 1.00 0.00 H new ATOM 1057 N GLY A 70 2.123 -13.564 15.466 1.00 0.00 N ATOM 1058 CA GLY A 70 2.564 -14.822 16.093 1.00 0.00 C ATOM 1059 C GLY A 70 3.346 -15.769 15.169 1.00 0.00 C ATOM 1060 O GLY A 70 3.415 -16.967 15.442 1.00 0.00 O ATOM 0 H GLY A 70 2.540 -12.734 15.888 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.188 -14.582 16.954 1.00 0.00 H new ATOM 0 HA3 GLY A 70 1.688 -15.349 16.471 1.00 0.00 H new ATOM 1064 N GLY A 71 3.887 -15.250 14.058 1.00 0.00 N ATOM 1065 CA GLY A 71 4.543 -16.021 12.989 1.00 0.00 C ATOM 1066 C GLY A 71 3.623 -16.403 11.817 1.00 0.00 C ATOM 1067 O GLY A 71 4.118 -16.895 10.801 1.00 0.00 O ATOM 0 H GLY A 71 3.880 -14.247 13.871 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.380 -15.440 12.602 1.00 0.00 H new ATOM 0 HA3 GLY A 71 4.959 -16.932 13.419 1.00 0.00 H new ATOM 1071 N CYS A 72 2.309 -16.172 11.926 1.00 0.00 N ATOM 1072 CA CYS A 72 1.321 -16.392 10.860 1.00 0.00 C ATOM 1073 C CYS A 72 1.330 -15.259 9.809 1.00 0.00 C ATOM 1074 O CYS A 72 1.944 -14.206 10.003 1.00 0.00 O ATOM 1075 CB CYS A 72 -0.072 -16.568 11.498 1.00 0.00 C ATOM 1076 SG CYS A 72 -0.068 -17.951 12.682 1.00 0.00 S ATOM 0 H CYS A 72 1.890 -15.816 12.785 1.00 0.00 H new ATOM 0 HA CYS A 72 1.587 -17.300 10.318 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -0.363 -15.649 12.006 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -0.813 -16.751 10.720 1.00 0.00 H new ATOM 0 HG CYS A 72 -1.251 -18.077 13.207 1.00 0.00 H new ATOM 1082 N CYS A 73 0.626 -15.475 8.692 1.00 0.00 N ATOM 1083 CA CYS A 73 0.526 -14.509 7.587 1.00 0.00 C ATOM 1084 C CYS A 73 -0.332 -13.275 7.934 1.00 0.00 C ATOM 1085 O CYS A 73 -1.251 -13.333 8.753 1.00 0.00 O ATOM 1086 CB CYS A 73 -0.011 -15.231 6.337 1.00 0.00 C ATOM 1087 SG CYS A 73 1.228 -16.412 5.715 1.00 0.00 S ATOM 0 H CYS A 73 0.103 -16.335 8.526 1.00 0.00 H new ATOM 0 HA CYS A 73 1.525 -14.120 7.391 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -0.935 -15.756 6.580 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -0.252 -14.503 5.562 1.00 0.00 H new ATOM 0 HG CYS A 73 0.762 -17.016 4.662 1.00 0.00 H new ATOM 1093 N TYR A 74 -0.069 -12.169 7.231 1.00 0.00 N ATOM 1094 CA TYR A 74 -0.820 -10.908 7.328 1.00 0.00 C ATOM 1095 C TYR A 74 -0.664 -10.026 6.074 1.00 0.00 C ATOM 1096 O TYR A 74 0.324 -10.145 5.347 1.00 0.00 O ATOM 1097 CB TYR A 74 -0.442 -10.148 8.613 1.00 0.00 C ATOM 1098 CG TYR A 74 0.964 -9.579 8.651 1.00 0.00 C ATOM 1099 CD1 TYR A 74 2.055 -10.401 8.994 1.00 0.00 C ATOM 1100 CD2 TYR A 74 1.181 -8.215 8.370 1.00 0.00 C ATOM 1101 CE1 TYR A 74 3.354 -9.862 9.069 1.00 0.00 C ATOM 1102 CE2 TYR A 74 2.477 -7.666 8.443 1.00 0.00 C ATOM 1103 CZ TYR A 74 3.569 -8.493 8.795 1.00 0.00 C ATOM 1104 OH TYR A 74 4.827 -7.978 8.876 1.00 0.00 O ATOM 0 H TYR A 74 0.695 -12.123 6.557 1.00 0.00 H new ATOM 0 HA TYR A 74 -1.878 -11.165 7.384 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -1.149 -9.330 8.751 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -0.565 -10.822 9.461 1.00 0.00 H new ATOM 0 HD1 TYR A 74 1.895 -11.449 9.200 1.00 0.00 H new ATOM 0 HD2 TYR A 74 0.347 -7.585 8.096 1.00 0.00 H new ATOM 0 HE1 TYR A 74 4.187 -10.496 9.336 1.00 0.00 H new ATOM 0 HE2 TYR A 74 2.635 -6.619 8.231 1.00 0.00 H new ATOM 0 HH TYR A 74 4.804 -7.023 8.657 1.00 0.00 H new ATOM 1114 N ARG A 75 -1.656 -9.167 5.810 1.00 0.00 N ATOM 1115 CA ARG A 75 -1.764 -8.285 4.627 1.00 0.00 C ATOM 1116 C ARG A 75 -2.353 -6.929 5.039 1.00 0.00 C ATOM 1117 O ARG A 75 -2.906 -6.829 6.129 1.00 0.00 O ATOM 1118 CB ARG A 75 -2.667 -8.895 3.529 1.00 0.00 C ATOM 1119 CG ARG A 75 -2.227 -10.272 3.010 1.00 0.00 C ATOM 1120 CD ARG A 75 -2.870 -11.407 3.814 1.00 0.00 C ATOM 1121 NE ARG A 75 -2.294 -12.708 3.432 1.00 0.00 N ATOM 1122 CZ ARG A 75 -2.751 -13.914 3.751 1.00 0.00 C ATOM 1123 NH1 ARG A 75 -3.833 -14.090 4.479 1.00 0.00 N ATOM 1124 NH2 ARG A 75 -2.106 -14.981 3.330 1.00 0.00 N ATOM 0 H ARG A 75 -2.448 -9.058 6.443 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.758 -8.165 4.224 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.681 -8.979 3.920 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.706 -8.203 2.688 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -2.499 -10.370 1.959 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.142 -10.354 3.067 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.718 -11.236 4.880 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.946 -11.416 3.643 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.451 -12.680 2.859 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -4.355 -13.283 4.821 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -4.150 -15.034 4.701 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.264 -14.878 2.764 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.448 -15.911 3.569 1.00 0.00 H new ATOM 1138 N VAL A 76 -2.299 -5.910 4.182 1.00 0.00 N ATOM 1139 CA VAL A 76 -3.015 -4.629 4.385 1.00 0.00 C ATOM 1140 C VAL A 76 -4.002 -4.402 3.240 1.00 0.00 C ATOM 1141 O VAL A 76 -3.660 -4.599 2.072 1.00 0.00 O ATOM 1142 CB VAL A 76 -2.052 -3.429 4.541 1.00 0.00 C ATOM 1143 CG1 VAL A 76 -2.763 -2.112 4.935 1.00 0.00 C ATOM 1144 CG2 VAL A 76 -0.998 -3.766 5.610 1.00 0.00 C ATOM 0 H VAL A 76 -1.757 -5.940 3.319 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.565 -4.700 5.323 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.595 -3.263 3.565 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.026 -1.314 5.027 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -3.491 -1.848 4.168 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -3.274 -2.245 5.889 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.315 -2.924 5.726 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.494 -3.964 6.560 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.437 -4.649 5.302 1.00 0.00 H new ATOM 1154 N ASN A 77 -5.227 -3.996 3.582 1.00 0.00 N ATOM 1155 CA ASN A 77 -6.331 -3.787 2.642 1.00 0.00 C ATOM 1156 C ASN A 77 -7.407 -2.850 3.223 1.00 0.00 C ATOM 1157 O ASN A 77 -7.936 -3.085 4.306 1.00 0.00 O ATOM 1158 CB ASN A 77 -6.949 -5.145 2.264 1.00 0.00 C ATOM 1159 CG ASN A 77 -8.218 -4.973 1.433 1.00 0.00 C ATOM 1160 OD1 ASN A 77 -9.331 -5.110 1.922 1.00 0.00 O ATOM 1161 ND2 ASN A 77 -8.097 -4.586 0.175 1.00 0.00 N ATOM 0 H ASN A 77 -5.486 -3.798 4.549 1.00 0.00 H new ATOM 0 HA ASN A 77 -5.931 -3.306 1.749 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -6.222 -5.732 1.702 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -7.180 -5.705 3.170 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -8.930 -4.403 -0.385 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -7.171 -4.471 -0.236 1.00 0.00 H new ATOM 1168 N ASN A 78 -7.784 -1.824 2.456 1.00 0.00 N ATOM 1169 CA ASN A 78 -8.793 -0.821 2.815 1.00 0.00 C ATOM 1170 C ASN A 78 -9.681 -0.489 1.602 1.00 0.00 C ATOM 1171 O ASN A 78 -9.780 0.657 1.178 1.00 0.00 O ATOM 1172 CB ASN A 78 -8.110 0.409 3.455 1.00 0.00 C ATOM 1173 CG ASN A 78 -7.124 1.171 2.560 1.00 0.00 C ATOM 1174 OD1 ASN A 78 -6.704 0.730 1.495 1.00 0.00 O ATOM 1175 ND2 ASN A 78 -6.734 2.362 2.978 1.00 0.00 N ATOM 0 H ASN A 78 -7.381 -1.662 1.533 1.00 0.00 H new ATOM 0 HA ASN A 78 -9.468 -1.222 3.571 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -8.886 1.102 3.780 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.580 0.081 4.349 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -6.085 2.913 2.416 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -7.082 2.731 3.863 1.00 0.00 H new ATOM 1182 N SER A 79 -10.331 -1.502 1.020 1.00 0.00 N ATOM 1183 CA SER A 79 -11.044 -1.410 -0.268 1.00 0.00 C ATOM 1184 C SER A 79 -12.010 -0.226 -0.399 1.00 0.00 C ATOM 1185 O SER A 79 -12.010 0.434 -1.431 1.00 0.00 O ATOM 1186 CB SER A 79 -11.794 -2.723 -0.551 1.00 0.00 C ATOM 1187 OG SER A 79 -10.895 -3.820 -0.626 1.00 0.00 O ATOM 0 H SER A 79 -10.380 -2.432 1.437 1.00 0.00 H new ATOM 0 HA SER A 79 -10.265 -1.233 -1.010 1.00 0.00 H new ATOM 0 HB2 SER A 79 -12.527 -2.903 0.235 1.00 0.00 H new ATOM 0 HB3 SER A 79 -12.345 -2.636 -1.487 1.00 0.00 H new ATOM 0 HG SER A 79 -11.397 -4.643 -0.805 1.00 0.00 H new ATOM 1193 N LEU A 80 -12.774 0.110 0.646 1.00 0.00 N ATOM 1194 CA LEU A 80 -13.692 1.264 0.621 1.00 0.00 C ATOM 1195 C LEU A 80 -12.965 2.619 0.626 1.00 0.00 C ATOM 1196 O LEU A 80 -13.411 3.557 -0.028 1.00 0.00 O ATOM 1197 CB LEU A 80 -14.667 1.182 1.806 1.00 0.00 C ATOM 1198 CG LEU A 80 -15.599 -0.045 1.825 1.00 0.00 C ATOM 1199 CD1 LEU A 80 -16.514 0.059 3.058 1.00 0.00 C ATOM 1200 CD2 LEU A 80 -16.435 -0.146 0.538 1.00 0.00 C ATOM 0 H LEU A 80 -12.777 -0.403 1.528 1.00 0.00 H new ATOM 0 HA LEU A 80 -14.240 1.210 -0.320 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -14.088 1.189 2.729 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -15.282 2.082 1.809 1.00 0.00 H new ATOM 0 HG LEU A 80 -14.994 -0.950 1.879 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -17.182 -0.802 3.089 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -15.905 0.079 3.962 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -17.104 0.974 2.997 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -17.079 -1.024 0.590 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -17.049 0.748 0.432 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -15.771 -0.234 -0.322 1.00 0.00 H new ATOM 1212 N ASP A 81 -11.825 2.712 1.315 1.00 0.00 N ATOM 1213 CA ASP A 81 -10.958 3.899 1.299 1.00 0.00 C ATOM 1214 C ASP A 81 -10.169 4.013 -0.025 1.00 0.00 C ATOM 1215 O ASP A 81 -9.820 5.106 -0.468 1.00 0.00 O ATOM 1216 CB ASP A 81 -10.013 3.825 2.506 1.00 0.00 C ATOM 1217 CG ASP A 81 -9.711 5.202 3.097 1.00 0.00 C ATOM 1218 OD1 ASP A 81 -10.581 5.702 3.850 1.00 0.00 O ATOM 1219 OD2 ASP A 81 -8.592 5.725 2.892 1.00 0.00 O ATOM 0 H ASP A 81 -11.472 1.960 1.906 1.00 0.00 H new ATOM 0 HA ASP A 81 -11.573 4.796 1.367 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -10.459 3.193 3.274 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -9.080 3.350 2.204 1.00 0.00 H new ATOM 1224 N HIS A 82 -9.915 2.877 -0.682 1.00 0.00 N ATOM 1225 CA HIS A 82 -9.379 2.821 -2.046 1.00 0.00 C ATOM 1226 C HIS A 82 -10.449 3.215 -3.091 1.00 0.00 C ATOM 1227 O HIS A 82 -10.122 3.805 -4.125 1.00 0.00 O ATOM 1228 CB HIS A 82 -8.880 1.393 -2.319 1.00 0.00 C ATOM 1229 CG HIS A 82 -7.902 1.282 -3.466 1.00 0.00 C ATOM 1230 ND1 HIS A 82 -7.947 1.964 -4.663 1.00 0.00 N ATOM 1231 CD2 HIS A 82 -6.803 0.467 -3.517 1.00 0.00 C ATOM 1232 CE1 HIS A 82 -6.903 1.572 -5.411 1.00 0.00 C ATOM 1233 NE2 HIS A 82 -6.168 0.656 -4.753 1.00 0.00 N ATOM 0 H HIS A 82 -10.078 1.956 -0.275 1.00 0.00 H new ATOM 0 HA HIS A 82 -8.558 3.533 -2.132 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -8.407 1.008 -1.416 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -9.739 0.755 -2.527 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -8.652 2.649 -4.934 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -6.480 -0.207 -2.738 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -6.684 1.940 -6.402 1.00 0.00 H new ATOM 1241 N GLU A 83 -11.719 2.881 -2.831 1.00 0.00 N ATOM 1242 CA GLU A 83 -12.865 3.172 -3.694 1.00 0.00 C ATOM 1243 C GLU A 83 -13.139 4.686 -3.800 1.00 0.00 C ATOM 1244 O GLU A 83 -13.537 5.179 -4.860 1.00 0.00 O ATOM 1245 CB GLU A 83 -14.098 2.408 -3.180 1.00 0.00 C ATOM 1246 CG GLU A 83 -15.190 2.215 -4.233 1.00 0.00 C ATOM 1247 CD GLU A 83 -14.759 1.267 -5.363 1.00 0.00 C ATOM 1248 OE1 GLU A 83 -14.788 0.030 -5.164 1.00 0.00 O ATOM 1249 OE2 GLU A 83 -14.406 1.745 -6.468 1.00 0.00 O ATOM 0 H GLU A 83 -11.984 2.382 -1.982 1.00 0.00 H new ATOM 0 HA GLU A 83 -12.633 2.834 -4.704 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -13.782 1.431 -2.815 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -14.518 2.945 -2.330 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -16.086 1.820 -3.754 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -15.456 3.183 -4.657 1.00 0.00 H new ATOM 1256 N TYR A 84 -12.867 5.429 -2.720 1.00 0.00 N ATOM 1257 CA TYR A 84 -13.076 6.874 -2.598 1.00 0.00 C ATOM 1258 C TYR A 84 -12.408 7.498 -1.355 1.00 0.00 C ATOM 1259 O TYR A 84 -12.340 6.883 -0.292 1.00 0.00 O ATOM 1260 CB TYR A 84 -14.581 7.228 -2.605 1.00 0.00 C ATOM 1261 CG TYR A 84 -15.508 6.247 -1.901 1.00 0.00 C ATOM 1262 CD1 TYR A 84 -15.613 6.247 -0.497 1.00 0.00 C ATOM 1263 CD2 TYR A 84 -16.269 5.330 -2.656 1.00 0.00 C ATOM 1264 CE1 TYR A 84 -16.434 5.308 0.152 1.00 0.00 C ATOM 1265 CE2 TYR A 84 -17.085 4.379 -2.013 1.00 0.00 C ATOM 1266 CZ TYR A 84 -17.155 4.355 -0.602 1.00 0.00 C ATOM 1267 OH TYR A 84 -17.915 3.416 0.025 1.00 0.00 O ATOM 0 H TYR A 84 -12.478 5.020 -1.871 1.00 0.00 H new ATOM 0 HA TYR A 84 -12.591 7.305 -3.474 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -14.704 8.207 -2.142 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -14.906 7.322 -3.641 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -15.061 6.971 0.084 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -16.226 5.357 -3.735 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -16.514 5.315 1.229 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -17.655 3.671 -2.596 1.00 0.00 H new ATOM 0 HH TYR A 84 -18.343 2.842 -0.644 1.00 0.00 H new ATOM 1277 N GLN A 85 -12.028 8.780 -1.493 1.00 0.00 N ATOM 1278 CA GLN A 85 -11.895 9.789 -0.428 1.00 0.00 C ATOM 1279 C GLN A 85 -10.581 9.713 0.406 1.00 0.00 C ATOM 1280 O GLN A 85 -10.034 8.623 0.602 1.00 0.00 O ATOM 1281 CB GLN A 85 -13.225 9.860 0.375 1.00 0.00 C ATOM 1282 CG GLN A 85 -13.234 9.709 1.901 1.00 0.00 C ATOM 1283 CD GLN A 85 -12.885 8.320 2.463 1.00 0.00 C ATOM 1284 OE1 GLN A 85 -13.666 7.375 2.390 1.00 0.00 O ATOM 1285 NE2 GLN A 85 -11.743 8.153 3.107 1.00 0.00 N ATOM 0 H GLN A 85 -11.791 9.163 -2.408 1.00 0.00 H new ATOM 0 HA GLN A 85 -11.750 10.764 -0.894 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -13.685 10.821 0.146 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -13.882 9.088 -0.026 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -12.531 10.430 2.318 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -14.225 9.983 2.264 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -11.081 8.925 3.179 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -11.524 7.252 3.532 1.00 0.00 H new ATOM 1294 N PRO A 86 -10.049 10.857 0.901 1.00 0.00 N ATOM 1295 CA PRO A 86 -8.923 10.910 1.840 1.00 0.00 C ATOM 1296 C PRO A 86 -9.410 10.686 3.278 1.00 0.00 C ATOM 1297 O PRO A 86 -10.603 10.791 3.540 1.00 0.00 O ATOM 1298 CB PRO A 86 -8.344 12.318 1.669 1.00 0.00 C ATOM 1299 CG PRO A 86 -9.591 13.160 1.403 1.00 0.00 C ATOM 1300 CD PRO A 86 -10.481 12.216 0.587 1.00 0.00 C ATOM 0 HA PRO A 86 -8.181 10.136 1.645 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -7.814 12.650 2.562 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -7.637 12.368 0.841 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -10.074 13.469 2.330 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -9.353 14.069 0.850 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -11.531 12.357 0.842 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -10.383 12.417 -0.480 1.00 0.00 H new ATOM 1308 N ARG A 87 -8.517 10.406 4.235 1.00 0.00 N ATOM 1309 CA ARG A 87 -8.906 10.207 5.643 1.00 0.00 C ATOM 1310 C ARG A 87 -7.954 10.890 6.653 1.00 0.00 C ATOM 1311 O ARG A 87 -6.745 10.936 6.399 1.00 0.00 O ATOM 1312 CB ARG A 87 -9.099 8.694 5.875 1.00 0.00 C ATOM 1313 CG ARG A 87 -7.813 7.893 6.127 1.00 0.00 C ATOM 1314 CD ARG A 87 -8.145 6.406 6.283 1.00 0.00 C ATOM 1315 NE ARG A 87 -6.934 5.607 6.543 1.00 0.00 N ATOM 1316 CZ ARG A 87 -6.060 5.167 5.643 1.00 0.00 C ATOM 1317 NH1 ARG A 87 -6.208 5.343 4.348 1.00 0.00 N ATOM 1318 NH2 ARG A 87 -5.002 4.513 6.052 1.00 0.00 N ATOM 0 H ARG A 87 -7.516 10.311 4.062 1.00 0.00 H new ATOM 0 HA ARG A 87 -9.852 10.714 5.833 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -9.764 8.557 6.728 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -9.604 8.273 5.006 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -7.119 8.034 5.299 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -7.316 8.260 7.025 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -8.852 6.274 7.102 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -8.634 6.044 5.378 1.00 0.00 H new ATOM 0 HE ARG A 87 -6.747 5.366 7.516 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -7.025 5.838 3.991 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -5.506 4.984 3.701 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -4.858 4.348 7.048 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -4.322 4.169 5.374 1.00 0.00 H new ATOM 1332 N PRO A 88 -8.454 11.390 7.806 1.00 0.00 N ATOM 1333 CA PRO A 88 -7.644 12.050 8.832 1.00 0.00 C ATOM 1334 C PRO A 88 -6.919 10.992 9.669 1.00 0.00 C ATOM 1335 O PRO A 88 -7.378 10.593 10.737 1.00 0.00 O ATOM 1336 CB PRO A 88 -8.631 12.903 9.632 1.00 0.00 C ATOM 1337 CG PRO A 88 -9.911 12.071 9.591 1.00 0.00 C ATOM 1338 CD PRO A 88 -9.865 11.475 8.182 1.00 0.00 C ATOM 0 HA PRO A 88 -6.855 12.686 8.431 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -8.288 13.067 10.654 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -8.773 13.886 9.182 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -9.919 11.298 10.360 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -10.800 12.683 9.745 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -10.330 10.489 8.164 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -10.416 12.101 7.479 1.00 0.00 H new ATOM 1346 N VAL A 89 -5.780 10.515 9.166 1.00 0.00 N ATOM 1347 CA VAL A 89 -5.052 9.348 9.704 1.00 0.00 C ATOM 1348 C VAL A 89 -4.708 9.484 11.194 1.00 0.00 C ATOM 1349 O VAL A 89 -4.852 8.517 11.933 1.00 0.00 O ATOM 1350 CB VAL A 89 -3.822 9.054 8.804 1.00 0.00 C ATOM 1351 CG1 VAL A 89 -2.649 8.358 9.508 1.00 0.00 C ATOM 1352 CG2 VAL A 89 -4.291 8.227 7.589 1.00 0.00 C ATOM 0 H VAL A 89 -5.322 10.933 8.356 1.00 0.00 H new ATOM 0 HA VAL A 89 -5.711 8.480 9.671 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.421 10.021 8.501 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.840 8.197 8.795 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.292 8.984 10.326 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.980 7.398 9.904 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.439 8.011 6.945 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.732 7.291 7.934 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.035 8.793 7.029 1.00 0.00 H new ATOM 1362 N GLU A 90 -4.363 10.684 11.675 1.00 0.00 N ATOM 1363 CA GLU A 90 -4.035 10.908 13.097 1.00 0.00 C ATOM 1364 C GLU A 90 -5.286 10.845 13.988 1.00 0.00 C ATOM 1365 O GLU A 90 -5.249 10.313 15.096 1.00 0.00 O ATOM 1366 CB GLU A 90 -3.324 12.255 13.288 1.00 0.00 C ATOM 1367 CG GLU A 90 -2.066 12.380 12.422 1.00 0.00 C ATOM 1368 CD GLU A 90 -1.259 13.632 12.794 1.00 0.00 C ATOM 1369 OE1 GLU A 90 -1.537 14.722 12.238 1.00 0.00 O ATOM 1370 OE2 GLU A 90 -0.340 13.537 13.642 1.00 0.00 O ATOM 0 H GLU A 90 -4.302 11.524 11.099 1.00 0.00 H new ATOM 0 HA GLU A 90 -3.363 10.105 13.401 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -4.012 13.064 13.043 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -3.053 12.374 14.337 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -1.445 11.493 12.548 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -2.348 12.425 11.370 1.00 0.00 H new ATOM 1377 N VAL A 91 -6.422 11.330 13.479 1.00 0.00 N ATOM 1378 CA VAL A 91 -7.715 11.314 14.190 1.00 0.00 C ATOM 1379 C VAL A 91 -8.301 9.895 14.189 1.00 0.00 C ATOM 1380 O VAL A 91 -8.948 9.495 15.149 1.00 0.00 O ATOM 1381 CB VAL A 91 -8.698 12.335 13.575 1.00 0.00 C ATOM 1382 CG1 VAL A 91 -10.027 12.414 14.344 1.00 0.00 C ATOM 1383 CG2 VAL A 91 -8.066 13.742 13.528 1.00 0.00 C ATOM 0 H VAL A 91 -6.476 11.751 12.551 1.00 0.00 H new ATOM 0 HA VAL A 91 -7.548 11.611 15.225 1.00 0.00 H new ATOM 0 HB VAL A 91 -8.909 11.983 12.565 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -10.679 13.146 13.869 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -10.511 11.437 14.336 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.834 12.714 15.374 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -8.775 14.445 13.091 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -7.814 14.062 14.539 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -7.162 13.715 12.920 1.00 0.00 H new ATOM 1393 N ILE A 92 -8.009 9.095 13.159 1.00 0.00 N ATOM 1394 CA ILE A 92 -8.364 7.663 13.091 1.00 0.00 C ATOM 1395 C ILE A 92 -7.506 6.823 14.050 1.00 0.00 C ATOM 1396 O ILE A 92 -8.047 6.004 14.790 1.00 0.00 O ATOM 1397 CB ILE A 92 -8.311 7.230 11.606 1.00 0.00 C ATOM 1398 CG1 ILE A 92 -9.558 7.846 10.924 1.00 0.00 C ATOM 1399 CG2 ILE A 92 -8.235 5.701 11.434 1.00 0.00 C ATOM 1400 CD1 ILE A 92 -9.527 7.797 9.399 1.00 0.00 C ATOM 0 H ILE A 92 -7.511 9.424 12.332 1.00 0.00 H new ATOM 0 HA ILE A 92 -9.380 7.488 13.444 1.00 0.00 H new ATOM 0 HB ILE A 92 -7.398 7.594 11.135 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -10.446 7.321 11.275 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -9.655 8.884 11.241 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -8.200 5.456 10.373 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -7.337 5.324 11.923 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -9.114 5.240 11.884 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -10.436 8.248 9.002 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -8.660 8.348 9.035 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -9.463 6.760 9.070 1.00 0.00 H new ATOM 1412 N ILE A 93 -6.198 7.092 14.127 1.00 0.00 N ATOM 1413 CA ILE A 93 -5.301 6.520 15.155 1.00 0.00 C ATOM 1414 C ILE A 93 -5.778 6.913 16.563 1.00 0.00 C ATOM 1415 O ILE A 93 -5.786 6.088 17.473 1.00 0.00 O ATOM 1416 CB ILE A 93 -3.840 6.960 14.860 1.00 0.00 C ATOM 1417 CG1 ILE A 93 -3.303 6.184 13.635 1.00 0.00 C ATOM 1418 CG2 ILE A 93 -2.917 6.780 16.082 1.00 0.00 C ATOM 1419 CD1 ILE A 93 -1.966 6.714 13.102 1.00 0.00 C ATOM 0 H ILE A 93 -5.722 7.717 13.476 1.00 0.00 H new ATOM 0 HA ILE A 93 -5.329 5.431 15.119 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.847 8.027 14.635 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -3.185 5.135 13.905 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -4.044 6.227 12.837 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -1.907 7.101 15.826 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -3.290 7.381 16.911 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -2.901 5.730 16.374 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -1.655 6.119 12.243 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -2.082 7.755 12.799 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -1.210 6.646 13.884 1.00 0.00 H new ATOM 1431 N SER A 94 -6.220 8.158 16.747 1.00 0.00 N ATOM 1432 CA SER A 94 -6.794 8.625 18.016 1.00 0.00 C ATOM 1433 C SER A 94 -8.122 7.912 18.340 1.00 0.00 C ATOM 1434 O SER A 94 -8.328 7.476 19.468 1.00 0.00 O ATOM 1435 CB SER A 94 -6.992 10.151 17.988 1.00 0.00 C ATOM 1436 OG SER A 94 -5.780 10.845 17.697 1.00 0.00 O ATOM 0 H SER A 94 -6.191 8.874 16.021 1.00 0.00 H new ATOM 0 HA SER A 94 -6.088 8.376 18.808 1.00 0.00 H new ATOM 0 HB2 SER A 94 -7.743 10.405 17.240 1.00 0.00 H new ATOM 0 HB3 SER A 94 -7.377 10.484 18.952 1.00 0.00 H new ATOM 0 HG SER A 94 -5.497 10.639 16.782 1.00 0.00 H new ATOM 1442 N SER A 95 -9.000 7.723 17.349 1.00 0.00 N ATOM 1443 CA SER A 95 -10.285 7.026 17.497 1.00 0.00 C ATOM 1444 C SER A 95 -10.090 5.562 17.921 1.00 0.00 C ATOM 1445 O SER A 95 -10.775 5.081 18.825 1.00 0.00 O ATOM 1446 CB SER A 95 -11.077 7.109 16.182 1.00 0.00 C ATOM 1447 OG SER A 95 -12.396 6.607 16.336 1.00 0.00 O ATOM 0 H SER A 95 -8.834 8.057 16.400 1.00 0.00 H new ATOM 0 HA SER A 95 -10.850 7.519 18.288 1.00 0.00 H new ATOM 0 HB2 SER A 95 -11.118 8.145 15.846 1.00 0.00 H new ATOM 0 HB3 SER A 95 -10.559 6.543 15.408 1.00 0.00 H new ATOM 0 HG SER A 95 -12.874 6.675 15.483 1.00 0.00 H new ATOM 1453 N ALA A 96 -9.096 4.868 17.351 1.00 0.00 N ATOM 1454 CA ALA A 96 -8.707 3.521 17.766 1.00 0.00 C ATOM 1455 C ALA A 96 -8.340 3.480 19.263 1.00 0.00 C ATOM 1456 O ALA A 96 -8.907 2.701 20.037 1.00 0.00 O ATOM 1457 CB ALA A 96 -7.554 3.073 16.853 1.00 0.00 C ATOM 0 H ALA A 96 -8.536 5.233 16.581 1.00 0.00 H new ATOM 0 HA ALA A 96 -9.539 2.825 17.659 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.236 2.069 17.134 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.891 3.070 15.816 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.716 3.762 16.960 1.00 0.00 H new ATOM 1463 N LYS A 97 -7.463 4.394 19.694 1.00 0.00 N ATOM 1464 CA LYS A 97 -7.062 4.559 21.098 1.00 0.00 C ATOM 1465 C LYS A 97 -8.194 5.071 22.022 1.00 0.00 C ATOM 1466 O LYS A 97 -8.078 4.933 23.242 1.00 0.00 O ATOM 1467 CB LYS A 97 -5.825 5.474 21.163 1.00 0.00 C ATOM 1468 CG LYS A 97 -4.585 4.812 20.532 1.00 0.00 C ATOM 1469 CD LYS A 97 -3.302 5.634 20.718 1.00 0.00 C ATOM 1470 CE LYS A 97 -3.394 7.013 20.042 1.00 0.00 C ATOM 1471 NZ LYS A 97 -2.125 7.782 20.181 1.00 0.00 N ATOM 0 H LYS A 97 -7.003 5.053 19.066 1.00 0.00 H new ATOM 0 HA LYS A 97 -6.817 3.569 21.484 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -6.039 6.410 20.647 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -5.613 5.724 22.203 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -4.444 3.825 20.973 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -4.763 4.663 19.467 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.107 5.765 21.782 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -2.457 5.084 20.305 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -3.628 6.885 18.985 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -4.213 7.580 20.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -2.226 8.705 19.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -1.915 7.926 21.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -1.348 7.252 19.738 1.00 0.00 H new ATOM 1485 N GLU A 98 -9.292 5.603 21.473 1.00 0.00 N ATOM 1486 CA GLU A 98 -10.514 5.926 22.217 1.00 0.00 C ATOM 1487 C GLU A 98 -11.466 4.726 22.361 1.00 0.00 C ATOM 1488 O GLU A 98 -12.000 4.504 23.450 1.00 0.00 O ATOM 1489 CB GLU A 98 -11.252 7.123 21.588 1.00 0.00 C ATOM 1490 CG GLU A 98 -10.560 8.458 21.887 1.00 0.00 C ATOM 1491 CD GLU A 98 -11.339 9.627 21.271 1.00 0.00 C ATOM 1492 OE1 GLU A 98 -11.194 9.886 20.052 1.00 0.00 O ATOM 1493 OE2 GLU A 98 -12.101 10.302 22.005 1.00 0.00 O ATOM 0 H GLU A 98 -9.357 5.825 20.480 1.00 0.00 H new ATOM 0 HA GLU A 98 -10.191 6.199 23.222 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -11.313 6.982 20.509 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -12.275 7.154 21.964 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -10.479 8.597 22.965 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -9.545 8.443 21.491 1.00 0.00 H new ATOM 1500 N MET A 99 -11.671 3.938 21.297 1.00 0.00 N ATOM 1501 CA MET A 99 -12.611 2.807 21.310 1.00 0.00 C ATOM 1502 C MET A 99 -12.033 1.542 21.943 1.00 0.00 C ATOM 1503 O MET A 99 -12.790 0.724 22.459 1.00 0.00 O ATOM 1504 CB MET A 99 -13.185 2.553 19.908 1.00 0.00 C ATOM 1505 CG MET A 99 -12.235 1.878 18.912 1.00 0.00 C ATOM 1506 SD MET A 99 -12.928 1.650 17.250 1.00 0.00 S ATOM 1507 CE MET A 99 -14.364 0.603 17.613 1.00 0.00 C ATOM 0 H MET A 99 -11.192 4.065 20.405 1.00 0.00 H new ATOM 0 HA MET A 99 -13.437 3.095 21.961 1.00 0.00 H new ATOM 0 HB2 MET A 99 -14.077 1.934 20.007 1.00 0.00 H new ATOM 0 HB3 MET A 99 -13.504 3.507 19.488 1.00 0.00 H new ATOM 0 HG2 MET A 99 -11.326 2.474 18.835 1.00 0.00 H new ATOM 0 HG3 MET A 99 -11.945 0.905 19.308 1.00 0.00 H new ATOM 0 HE1 MET A 99 -14.549 -0.065 16.772 1.00 0.00 H new ATOM 0 HE2 MET A 99 -14.167 0.013 18.508 1.00 0.00 H new ATOM 0 HE3 MET A 99 -15.240 1.231 17.777 1.00 0.00 H new ATOM 1517 N VAL A 100 -10.710 1.373 21.942 1.00 0.00 N ATOM 1518 CA VAL A 100 -10.053 0.244 22.616 1.00 0.00 C ATOM 1519 C VAL A 100 -10.533 0.076 24.063 1.00 0.00 C ATOM 1520 O VAL A 100 -10.580 1.028 24.844 1.00 0.00 O ATOM 1521 CB VAL A 100 -8.521 0.284 22.499 1.00 0.00 C ATOM 1522 CG1 VAL A 100 -7.861 1.448 23.242 1.00 0.00 C ATOM 1523 CG2 VAL A 100 -7.918 -1.045 22.962 1.00 0.00 C ATOM 0 H VAL A 100 -10.063 2.010 21.477 1.00 0.00 H new ATOM 0 HA VAL A 100 -10.363 -0.653 22.080 1.00 0.00 H new ATOM 0 HB VAL A 100 -8.311 0.447 21.442 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -6.780 1.400 23.107 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -8.235 2.392 22.845 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -8.097 1.382 24.304 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -6.832 -1.002 22.874 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -8.191 -1.226 24.002 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -8.301 -1.854 22.341 1.00 0.00 H new ATOM 1533 N GLY A 101 -10.936 -1.157 24.374 1.00 0.00 N ATOM 1534 CA GLY A 101 -11.618 -1.548 25.611 1.00 0.00 C ATOM 1535 C GLY A 101 -13.124 -1.780 25.445 1.00 0.00 C ATOM 1536 O GLY A 101 -13.718 -2.408 26.322 1.00 0.00 O ATOM 0 H GLY A 101 -10.790 -1.946 23.744 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -11.160 -2.460 25.994 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -11.460 -0.773 26.361 1.00 0.00 H new ATOM 1540 N GLN A 102 -13.753 -1.321 24.350 1.00 0.00 N ATOM 1541 CA GLN A 102 -15.163 -1.599 24.074 1.00 0.00 C ATOM 1542 C GLN A 102 -15.377 -3.013 23.509 1.00 0.00 C ATOM 1543 O GLN A 102 -14.451 -3.690 23.045 1.00 0.00 O ATOM 1544 CB GLN A 102 -15.828 -0.486 23.229 1.00 0.00 C ATOM 1545 CG GLN A 102 -15.667 -0.541 21.693 1.00 0.00 C ATOM 1546 CD GLN A 102 -16.573 0.470 20.981 1.00 0.00 C ATOM 1547 OE1 GLN A 102 -17.341 0.137 20.086 1.00 0.00 O ATOM 1548 NE2 GLN A 102 -16.539 1.737 21.344 1.00 0.00 N ATOM 0 H GLN A 102 -13.297 -0.750 23.638 1.00 0.00 H new ATOM 0 HA GLN A 102 -15.684 -1.585 25.031 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -16.895 -0.491 23.452 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -15.435 0.471 23.571 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -14.628 -0.343 21.431 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -15.899 -1.546 21.340 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -15.908 2.038 22.087 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -17.144 2.416 20.882 1.00 0.00 H new ATOM 1557 N LYS A 103 -16.639 -3.439 23.565 1.00 0.00 N ATOM 1558 CA LYS A 103 -17.111 -4.772 23.173 1.00 0.00 C ATOM 1559 C LYS A 103 -18.299 -4.715 22.195 1.00 0.00 C ATOM 1560 O LYS A 103 -19.115 -3.789 22.257 1.00 0.00 O ATOM 1561 CB LYS A 103 -17.516 -5.560 24.436 1.00 0.00 C ATOM 1562 CG LYS A 103 -16.336 -5.864 25.372 1.00 0.00 C ATOM 1563 CD LYS A 103 -16.816 -6.637 26.608 1.00 0.00 C ATOM 1564 CE LYS A 103 -15.633 -6.922 27.539 1.00 0.00 C ATOM 1565 NZ LYS A 103 -16.054 -7.634 28.777 1.00 0.00 N ATOM 0 H LYS A 103 -17.395 -2.841 23.899 1.00 0.00 H new ATOM 0 HA LYS A 103 -16.292 -5.272 22.655 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -18.267 -4.992 24.984 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -17.982 -6.498 24.136 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -15.584 -6.447 24.841 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -15.859 -4.933 25.680 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -17.575 -6.060 27.136 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -17.283 -7.573 26.303 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -14.892 -7.522 27.010 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -15.149 -5.983 27.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -15.223 -7.807 29.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -16.741 -7.051 29.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -16.492 -8.542 28.523 1.00 0.00 H new ATOM 1579 N MET A 104 -18.426 -5.727 21.323 1.00 0.00 N ATOM 1580 CA MET A 104 -19.474 -5.825 20.287 1.00 0.00 C ATOM 1581 C MET A 104 -19.987 -7.262 20.107 1.00 0.00 C ATOM 1582 O MET A 104 -19.293 -8.224 20.434 1.00 0.00 O ATOM 1583 CB MET A 104 -18.976 -5.279 18.932 1.00 0.00 C ATOM 1584 CG MET A 104 -18.495 -3.821 18.978 1.00 0.00 C ATOM 1585 SD MET A 104 -16.746 -3.588 19.397 1.00 0.00 S ATOM 1586 CE MET A 104 -16.041 -4.065 17.805 1.00 0.00 C ATOM 0 H MET A 104 -17.787 -6.522 21.316 1.00 0.00 H new ATOM 0 HA MET A 104 -20.305 -5.212 20.636 1.00 0.00 H new ATOM 0 HB2 MET A 104 -18.159 -5.908 18.578 1.00 0.00 H new ATOM 0 HB3 MET A 104 -19.781 -5.361 18.202 1.00 0.00 H new ATOM 0 HG2 MET A 104 -18.682 -3.364 18.006 1.00 0.00 H new ATOM 0 HG3 MET A 104 -19.100 -3.280 19.706 1.00 0.00 H new ATOM 0 HE1 MET A 104 -14.996 -3.759 17.764 1.00 0.00 H new ATOM 0 HE2 MET A 104 -16.107 -5.147 17.687 1.00 0.00 H new ATOM 0 HE3 MET A 104 -16.594 -3.578 17.002 1.00 0.00 H new ATOM 1596 N LYS A 105 -21.190 -7.422 19.542 1.00 0.00 N ATOM 1597 CA LYS A 105 -21.816 -8.741 19.296 1.00 0.00 C ATOM 1598 C LYS A 105 -22.842 -8.760 18.134 1.00 0.00 C ATOM 1599 O LYS A 105 -23.370 -9.816 17.790 1.00 0.00 O ATOM 1600 CB LYS A 105 -22.416 -9.209 20.644 1.00 0.00 C ATOM 1601 CG LYS A 105 -22.887 -10.673 20.741 1.00 0.00 C ATOM 1602 CD LYS A 105 -21.872 -11.694 20.194 1.00 0.00 C ATOM 1603 CE LYS A 105 -22.028 -13.086 20.826 1.00 0.00 C ATOM 1604 NZ LYS A 105 -23.343 -13.725 20.536 1.00 0.00 N ATOM 0 H LYS A 105 -21.767 -6.638 19.238 1.00 0.00 H new ATOM 0 HA LYS A 105 -21.056 -9.440 18.947 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -21.669 -9.043 21.421 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -23.265 -8.566 20.876 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -23.097 -10.908 21.784 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -23.824 -10.779 20.195 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -21.991 -11.775 19.114 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -20.861 -11.328 20.376 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -21.230 -13.733 20.462 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -21.903 -13.002 21.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -23.310 -14.727 20.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -24.090 -13.242 21.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -23.548 -13.652 19.519 1.00 0.00 H new ATOM 1618 N TYR A 106 -23.125 -7.610 17.509 1.00 0.00 N ATOM 1619 CA TYR A 106 -24.128 -7.482 16.438 1.00 0.00 C ATOM 1620 C TYR A 106 -23.652 -8.064 15.092 1.00 0.00 C ATOM 1621 O TYR A 106 -22.493 -7.892 14.715 1.00 0.00 O ATOM 1622 CB TYR A 106 -24.519 -6.002 16.286 1.00 0.00 C ATOM 1623 CG TYR A 106 -24.996 -5.344 17.570 1.00 0.00 C ATOM 1624 CD1 TYR A 106 -26.242 -5.698 18.122 1.00 0.00 C ATOM 1625 CD2 TYR A 106 -24.180 -4.403 18.233 1.00 0.00 C ATOM 1626 CE1 TYR A 106 -26.675 -5.118 19.330 1.00 0.00 C ATOM 1627 CE2 TYR A 106 -24.605 -3.822 19.441 1.00 0.00 C ATOM 1628 CZ TYR A 106 -25.856 -4.175 19.995 1.00 0.00 C ATOM 1629 OH TYR A 106 -26.262 -3.613 21.168 1.00 0.00 O ATOM 0 H TYR A 106 -22.660 -6.731 17.734 1.00 0.00 H new ATOM 0 HA TYR A 106 -24.998 -8.071 16.728 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -23.660 -5.449 15.906 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -25.307 -5.922 15.537 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -26.869 -6.418 17.617 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -23.225 -4.128 17.811 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -27.632 -5.393 19.749 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -23.974 -3.105 19.946 1.00 0.00 H new ATOM 0 HH TYR A 106 -25.577 -2.989 21.486 1.00 0.00 H new ATOM 1639 N SER A 107 -24.562 -8.711 14.356 1.00 0.00 N ATOM 1640 CA SER A 107 -24.353 -9.284 13.008 1.00 0.00 C ATOM 1641 C SER A 107 -23.454 -10.548 12.987 1.00 0.00 C ATOM 1642 O SER A 107 -23.044 -11.069 14.029 1.00 0.00 O ATOM 1643 CB SER A 107 -23.860 -8.200 12.031 1.00 0.00 C ATOM 1644 OG SER A 107 -24.170 -8.566 10.695 1.00 0.00 O ATOM 0 H SER A 107 -25.513 -8.860 14.694 1.00 0.00 H new ATOM 0 HA SER A 107 -25.327 -9.639 12.670 1.00 0.00 H new ATOM 0 HB2 SER A 107 -24.326 -7.244 12.271 1.00 0.00 H new ATOM 0 HB3 SER A 107 -22.784 -8.066 12.138 1.00 0.00 H new ATOM 0 HG SER A 107 -24.001 -7.806 10.100 1.00 0.00 H new ATOM 1650 N ILE A 108 -23.162 -11.069 11.786 1.00 0.00 N ATOM 1651 CA ILE A 108 -22.245 -12.209 11.564 1.00 0.00 C ATOM 1652 C ILE A 108 -20.775 -11.777 11.721 1.00 0.00 C ATOM 1653 O ILE A 108 -20.449 -10.628 11.440 1.00 0.00 O ATOM 1654 CB ILE A 108 -22.515 -12.890 10.194 1.00 0.00 C ATOM 1655 CG1 ILE A 108 -22.340 -11.918 9.001 1.00 0.00 C ATOM 1656 CG2 ILE A 108 -23.916 -13.535 10.208 1.00 0.00 C ATOM 1657 CD1 ILE A 108 -22.427 -12.600 7.630 1.00 0.00 C ATOM 0 H ILE A 108 -23.562 -10.706 10.921 1.00 0.00 H new ATOM 0 HA ILE A 108 -22.441 -12.956 12.333 1.00 0.00 H new ATOM 0 HB ILE A 108 -21.767 -13.670 10.049 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -23.104 -11.143 9.060 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -21.374 -11.420 9.088 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -24.106 -14.013 9.247 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -23.965 -14.282 11.001 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -24.668 -12.767 10.386 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -22.295 -11.856 6.844 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -21.645 -13.355 7.549 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -23.402 -13.074 7.521 1.00 0.00 H new ATOM 1669 N VAL A 109 -19.874 -12.691 12.110 1.00 0.00 N ATOM 1670 CA VAL A 109 -18.482 -12.348 12.508 1.00 0.00 C ATOM 1671 C VAL A 109 -17.704 -11.529 11.472 1.00 0.00 C ATOM 1672 O VAL A 109 -17.002 -10.595 11.847 1.00 0.00 O ATOM 1673 CB VAL A 109 -17.640 -13.576 12.943 1.00 0.00 C ATOM 1674 CG1 VAL A 109 -18.191 -14.164 14.249 1.00 0.00 C ATOM 1675 CG2 VAL A 109 -17.549 -14.685 11.878 1.00 0.00 C ATOM 0 H VAL A 109 -20.079 -13.689 12.161 1.00 0.00 H new ATOM 0 HA VAL A 109 -18.633 -11.708 13.378 1.00 0.00 H new ATOM 0 HB VAL A 109 -16.627 -13.201 13.088 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -17.590 -15.025 14.542 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -18.150 -13.409 15.034 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -19.225 -14.476 14.100 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -16.944 -15.507 12.260 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -18.550 -15.049 11.645 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -17.089 -14.285 10.974 1.00 0.00 H new ATOM 1685 N SER A 110 -17.864 -11.802 10.173 1.00 0.00 N ATOM 1686 CA SER A 110 -17.171 -11.041 9.117 1.00 0.00 C ATOM 1687 C SER A 110 -17.725 -9.615 8.981 1.00 0.00 C ATOM 1688 O SER A 110 -16.949 -8.661 8.864 1.00 0.00 O ATOM 1689 CB SER A 110 -17.238 -11.806 7.789 1.00 0.00 C ATOM 1690 OG SER A 110 -16.598 -13.070 7.925 1.00 0.00 O ATOM 0 H SER A 110 -18.468 -12.545 9.822 1.00 0.00 H new ATOM 0 HA SER A 110 -16.124 -10.938 9.402 1.00 0.00 H new ATOM 0 HB2 SER A 110 -18.277 -11.945 7.492 1.00 0.00 H new ATOM 0 HB3 SER A 110 -16.756 -11.227 7.001 1.00 0.00 H new ATOM 0 HG SER A 110 -15.973 -13.041 8.679 1.00 0.00 H new ATOM 1696 N ARG A 111 -19.050 -9.434 9.104 1.00 0.00 N ATOM 1697 CA ARG A 111 -19.653 -8.095 9.128 1.00 0.00 C ATOM 1698 C ARG A 111 -19.359 -7.368 10.437 1.00 0.00 C ATOM 1699 O ARG A 111 -19.087 -6.178 10.406 1.00 0.00 O ATOM 1700 CB ARG A 111 -21.161 -8.143 8.839 1.00 0.00 C ATOM 1701 CG ARG A 111 -21.721 -6.755 8.442 1.00 0.00 C ATOM 1702 CD ARG A 111 -21.382 -6.346 7.000 1.00 0.00 C ATOM 1703 NE ARG A 111 -22.071 -7.194 6.009 1.00 0.00 N ATOM 1704 CZ ARG A 111 -21.797 -7.272 4.713 1.00 0.00 C ATOM 1705 NH1 ARG A 111 -20.836 -6.570 4.156 1.00 0.00 N ATOM 1706 NH2 ARG A 111 -22.503 -8.076 3.944 1.00 0.00 N ATOM 0 H ARG A 111 -19.721 -10.197 9.188 1.00 0.00 H new ATOM 0 HA ARG A 111 -19.188 -7.522 8.326 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -21.354 -8.855 8.036 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -21.688 -8.507 9.721 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -22.804 -6.761 8.564 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -21.327 -6.004 9.126 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -21.662 -5.304 6.843 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -20.305 -6.413 6.848 1.00 0.00 H new ATOM 0 HE ARG A 111 -22.833 -7.778 6.354 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -20.271 -5.938 4.724 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -20.655 -6.657 3.156 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -23.256 -8.635 4.346 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -22.297 -8.140 2.947 1.00 0.00 H new ATOM 1720 N ASN A 112 -19.309 -8.064 11.569 1.00 0.00 N ATOM 1721 CA ASN A 112 -18.890 -7.505 12.863 1.00 0.00 C ATOM 1722 C ASN A 112 -17.464 -6.916 12.782 1.00 0.00 C ATOM 1723 O ASN A 112 -17.228 -5.792 13.218 1.00 0.00 O ATOM 1724 CB ASN A 112 -19.023 -8.604 13.930 1.00 0.00 C ATOM 1725 CG ASN A 112 -18.841 -8.065 15.340 1.00 0.00 C ATOM 1726 OD1 ASN A 112 -17.751 -8.067 15.889 1.00 0.00 O ATOM 1727 ND2 ASN A 112 -19.900 -7.579 15.959 1.00 0.00 N ATOM 0 H ASN A 112 -19.562 -9.051 11.620 1.00 0.00 H new ATOM 0 HA ASN A 112 -19.534 -6.671 13.142 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -20.004 -9.072 13.846 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -18.282 -9.381 13.742 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -19.811 -7.202 16.902 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -20.808 -7.581 15.494 1.00 0.00 H new ATOM 1734 N CYS A 113 -16.556 -7.627 12.102 1.00 0.00 N ATOM 1735 CA CYS A 113 -15.213 -7.168 11.726 1.00 0.00 C ATOM 1736 C CYS A 113 -15.231 -5.944 10.779 1.00 0.00 C ATOM 1737 O CYS A 113 -14.598 -4.929 11.074 1.00 0.00 O ATOM 1738 CB CYS A 113 -14.476 -8.399 11.144 1.00 0.00 C ATOM 1739 SG CYS A 113 -13.282 -9.018 12.368 1.00 0.00 S ATOM 0 H CYS A 113 -16.745 -8.578 11.785 1.00 0.00 H new ATOM 0 HA CYS A 113 -14.677 -6.791 12.597 1.00 0.00 H new ATOM 0 HB2 CYS A 113 -15.193 -9.180 10.891 1.00 0.00 H new ATOM 0 HB3 CYS A 113 -13.962 -8.127 10.222 1.00 0.00 H new ATOM 0 HG CYS A 113 -12.662 -10.053 11.884 1.00 0.00 H new ATOM 1745 N GLU A 114 -15.978 -5.997 9.671 1.00 0.00 N ATOM 1746 CA GLU A 114 -16.102 -4.873 8.724 1.00 0.00 C ATOM 1747 C GLU A 114 -16.718 -3.618 9.381 1.00 0.00 C ATOM 1748 O GLU A 114 -16.200 -2.510 9.252 1.00 0.00 O ATOM 1749 CB GLU A 114 -16.939 -5.331 7.519 1.00 0.00 C ATOM 1750 CG GLU A 114 -17.003 -4.284 6.400 1.00 0.00 C ATOM 1751 CD GLU A 114 -17.857 -4.797 5.233 1.00 0.00 C ATOM 1752 OE1 GLU A 114 -19.105 -4.705 5.310 1.00 0.00 O ATOM 1753 OE2 GLU A 114 -17.290 -5.311 4.241 1.00 0.00 O ATOM 0 H GLU A 114 -16.516 -6.820 9.401 1.00 0.00 H new ATOM 0 HA GLU A 114 -15.104 -4.585 8.395 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -16.518 -6.254 7.121 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -17.951 -5.560 7.853 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -17.424 -3.356 6.786 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -15.997 -4.056 6.049 1.00 0.00 H new ATOM 1760 N HIS A 115 -17.796 -3.787 10.145 1.00 0.00 N ATOM 1761 CA HIS A 115 -18.462 -2.748 10.938 1.00 0.00 C ATOM 1762 C HIS A 115 -17.477 -2.088 11.928 1.00 0.00 C ATOM 1763 O HIS A 115 -17.462 -0.864 12.079 1.00 0.00 O ATOM 1764 CB HIS A 115 -19.649 -3.414 11.658 1.00 0.00 C ATOM 1765 CG HIS A 115 -20.472 -2.520 12.555 1.00 0.00 C ATOM 1766 ND1 HIS A 115 -21.113 -1.350 12.205 1.00 0.00 N ATOM 1767 CD2 HIS A 115 -20.799 -2.782 13.860 1.00 0.00 C ATOM 1768 CE1 HIS A 115 -21.796 -0.915 13.279 1.00 0.00 C ATOM 1769 NE2 HIS A 115 -21.633 -1.755 14.320 1.00 0.00 N ATOM 0 H HIS A 115 -18.253 -4.695 10.234 1.00 0.00 H new ATOM 0 HA HIS A 115 -18.824 -1.944 10.298 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -20.309 -3.844 10.905 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -19.266 -4.241 12.256 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -20.470 -3.635 14.435 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -22.393 -0.016 13.304 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -22.035 -1.662 15.253 1.00 0.00 H new ATOM 1777 N PHE A 116 -16.603 -2.888 12.555 1.00 0.00 N ATOM 1778 CA PHE A 116 -15.503 -2.417 13.398 1.00 0.00 C ATOM 1779 C PHE A 116 -14.483 -1.587 12.604 1.00 0.00 C ATOM 1780 O PHE A 116 -14.237 -0.445 12.989 1.00 0.00 O ATOM 1781 CB PHE A 116 -14.873 -3.621 14.116 1.00 0.00 C ATOM 1782 CG PHE A 116 -13.482 -3.382 14.676 1.00 0.00 C ATOM 1783 CD1 PHE A 116 -13.302 -2.556 15.800 1.00 0.00 C ATOM 1784 CD2 PHE A 116 -12.360 -3.978 14.061 1.00 0.00 C ATOM 1785 CE1 PHE A 116 -12.012 -2.336 16.313 1.00 0.00 C ATOM 1786 CE2 PHE A 116 -11.071 -3.765 14.582 1.00 0.00 C ATOM 1787 CZ PHE A 116 -10.898 -2.955 15.719 1.00 0.00 C ATOM 0 H PHE A 116 -16.645 -3.905 12.486 1.00 0.00 H new ATOM 0 HA PHE A 116 -15.892 -1.735 14.154 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -15.530 -3.922 14.932 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -14.828 -4.457 13.419 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -14.156 -2.090 16.269 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -12.492 -4.600 13.188 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -11.876 -1.689 17.167 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -10.215 -4.223 14.109 1.00 0.00 H new ATOM 0 HZ PHE A 116 -9.912 -2.809 16.135 1.00 0.00 H new ATOM 1797 N VAL A 117 -13.937 -2.073 11.480 1.00 0.00 N ATOM 1798 CA VAL A 117 -12.969 -1.247 10.710 1.00 0.00 C ATOM 1799 C VAL A 117 -13.594 -0.032 10.012 1.00 0.00 C ATOM 1800 O VAL A 117 -12.881 0.938 9.759 1.00 0.00 O ATOM 1801 CB VAL A 117 -12.064 -2.016 9.728 1.00 0.00 C ATOM 1802 CG1 VAL A 117 -11.022 -2.825 10.507 1.00 0.00 C ATOM 1803 CG2 VAL A 117 -12.825 -2.895 8.731 1.00 0.00 C ATOM 0 H VAL A 117 -14.132 -2.994 11.088 1.00 0.00 H new ATOM 0 HA VAL A 117 -12.317 -0.884 11.505 1.00 0.00 H new ATOM 0 HB VAL A 117 -11.563 -1.268 9.114 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -10.385 -3.367 9.808 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -10.411 -2.150 11.106 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -11.528 -3.535 11.162 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -12.115 -3.401 8.077 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -13.411 -3.637 9.273 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -13.491 -2.273 8.132 1.00 0.00 H new ATOM 1813 N THR A 118 -14.914 -0.022 9.776 1.00 0.00 N ATOM 1814 CA THR A 118 -15.622 1.190 9.321 1.00 0.00 C ATOM 1815 C THR A 118 -15.709 2.187 10.471 1.00 0.00 C ATOM 1816 O THR A 118 -15.386 3.347 10.264 1.00 0.00 O ATOM 1817 CB THR A 118 -17.007 0.896 8.725 1.00 0.00 C ATOM 1818 OG1 THR A 118 -16.964 -0.254 7.907 1.00 0.00 O ATOM 1819 CG2 THR A 118 -17.464 2.042 7.815 1.00 0.00 C ATOM 0 H THR A 118 -15.515 -0.838 9.892 1.00 0.00 H new ATOM 0 HA THR A 118 -15.043 1.624 8.505 1.00 0.00 H new ATOM 0 HB THR A 118 -17.687 0.763 9.567 1.00 0.00 H new ATOM 0 HG1 THR A 118 -16.809 -1.046 8.463 1.00 0.00 H new ATOM 0 HG21 THR A 118 -18.447 1.811 7.405 1.00 0.00 H new ATOM 0 HG22 THR A 118 -17.519 2.965 8.392 1.00 0.00 H new ATOM 0 HG23 THR A 118 -16.751 2.166 7.000 1.00 0.00 H new ATOM 1827 N GLN A 119 -16.027 1.745 11.693 1.00 0.00 N ATOM 1828 CA GLN A 119 -15.976 2.593 12.897 1.00 0.00 C ATOM 1829 C GLN A 119 -14.561 3.115 13.222 1.00 0.00 C ATOM 1830 O GLN A 119 -14.439 4.188 13.816 1.00 0.00 O ATOM 1831 CB GLN A 119 -16.592 1.852 14.091 1.00 0.00 C ATOM 1832 CG GLN A 119 -18.126 1.898 14.003 1.00 0.00 C ATOM 1833 CD GLN A 119 -18.781 0.922 14.971 1.00 0.00 C ATOM 1834 OE1 GLN A 119 -19.340 1.286 15.999 1.00 0.00 O ATOM 1835 NE2 GLN A 119 -18.735 -0.353 14.661 1.00 0.00 N ATOM 0 H GLN A 119 -16.328 0.788 11.879 1.00 0.00 H new ATOM 0 HA GLN A 119 -16.570 3.482 12.685 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -16.251 0.817 14.102 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -16.259 2.308 15.024 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -18.472 2.909 14.218 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -18.438 1.664 12.985 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -18.269 -0.653 13.805 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -19.165 -1.043 15.276 1.00 0.00 H new ATOM 1844 N LEU A 120 -13.499 2.417 12.793 1.00 0.00 N ATOM 1845 CA LEU A 120 -12.127 2.929 12.848 1.00 0.00 C ATOM 1846 C LEU A 120 -11.921 4.036 11.800 1.00 0.00 C ATOM 1847 O LEU A 120 -11.616 5.166 12.182 1.00 0.00 O ATOM 1848 CB LEU A 120 -11.120 1.772 12.684 1.00 0.00 C ATOM 1849 CG LEU A 120 -10.987 0.877 13.936 1.00 0.00 C ATOM 1850 CD1 LEU A 120 -10.260 -0.424 13.562 1.00 0.00 C ATOM 1851 CD2 LEU A 120 -10.191 1.586 15.041 1.00 0.00 C ATOM 0 H LEU A 120 -13.571 1.479 12.398 1.00 0.00 H new ATOM 0 HA LEU A 120 -11.950 3.379 13.825 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -11.425 1.155 11.839 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -10.142 2.186 12.440 1.00 0.00 H new ATOM 0 HG LEU A 120 -11.989 0.662 14.306 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -10.166 -1.055 14.446 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -10.830 -0.952 12.797 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -9.268 -0.189 13.177 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -10.113 0.933 15.910 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -9.192 1.823 14.675 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -10.702 2.506 15.324 1.00 0.00 H new ATOM 1863 N ARG A 121 -12.130 3.756 10.499 1.00 0.00 N ATOM 1864 CA ARG A 121 -11.973 4.749 9.410 1.00 0.00 C ATOM 1865 C ARG A 121 -13.130 5.767 9.294 1.00 0.00 C ATOM 1866 O ARG A 121 -13.187 6.535 8.334 1.00 0.00 O ATOM 1867 CB ARG A 121 -11.617 4.072 8.062 1.00 0.00 C ATOM 1868 CG ARG A 121 -12.805 3.490 7.265 1.00 0.00 C ATOM 1869 CD ARG A 121 -12.406 3.070 5.843 1.00 0.00 C ATOM 1870 NE ARG A 121 -13.606 3.043 4.980 1.00 0.00 N ATOM 1871 CZ ARG A 121 -14.019 4.023 4.177 1.00 0.00 C ATOM 1872 NH1 ARG A 121 -13.265 5.043 3.854 1.00 0.00 N ATOM 1873 NH2 ARG A 121 -15.236 4.010 3.684 1.00 0.00 N ATOM 0 H ARG A 121 -12.413 2.833 10.169 1.00 0.00 H new ATOM 0 HA ARG A 121 -11.119 5.362 9.697 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -11.107 4.802 7.434 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -10.907 3.268 8.258 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -13.208 2.628 7.796 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -13.602 4.232 7.212 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -11.671 3.767 5.440 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -11.936 2.086 5.861 1.00 0.00 H new ATOM 0 HE ARG A 121 -14.171 2.194 5.001 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -12.316 5.112 4.221 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -13.627 5.769 3.235 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -15.872 3.247 3.915 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -15.546 4.763 3.070 1.00 0.00 H new ATOM 1887 N TYR A 122 -14.048 5.795 10.262 1.00 0.00 N ATOM 1888 CA TYR A 122 -15.324 6.527 10.248 1.00 0.00 C ATOM 1889 C TYR A 122 -15.165 8.048 10.050 1.00 0.00 C ATOM 1890 O TYR A 122 -16.098 8.737 9.638 1.00 0.00 O ATOM 1891 CB TYR A 122 -16.047 6.268 11.578 1.00 0.00 C ATOM 1892 CG TYR A 122 -17.557 6.396 11.524 1.00 0.00 C ATOM 1893 CD1 TYR A 122 -18.340 5.306 11.095 1.00 0.00 C ATOM 1894 CD2 TYR A 122 -18.183 7.590 11.932 1.00 0.00 C ATOM 1895 CE1 TYR A 122 -19.744 5.409 11.062 1.00 0.00 C ATOM 1896 CE2 TYR A 122 -19.587 7.703 11.898 1.00 0.00 C ATOM 1897 CZ TYR A 122 -20.373 6.612 11.459 1.00 0.00 C ATOM 1898 OH TYR A 122 -21.731 6.706 11.429 1.00 0.00 O ATOM 0 H TYR A 122 -13.916 5.277 11.131 1.00 0.00 H new ATOM 0 HA TYR A 122 -15.895 6.161 9.395 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -15.795 5.265 11.922 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -15.665 6.966 12.323 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -17.861 4.387 10.790 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -17.584 8.422 12.272 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -20.340 4.570 10.734 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -20.063 8.622 12.207 1.00 0.00 H new ATOM 0 HH TYR A 122 -22.004 7.597 11.733 1.00 0.00 H new ATOM 1908 N GLY A 123 -13.950 8.546 10.332 1.00 0.00 N ATOM 1909 CA GLY A 123 -13.511 9.942 10.180 1.00 0.00 C ATOM 1910 C GLY A 123 -13.912 10.586 8.850 1.00 0.00 C ATOM 1911 O GLY A 123 -14.317 11.748 8.830 1.00 0.00 O ATOM 0 H GLY A 123 -13.205 7.950 10.693 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -13.927 10.533 10.996 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -12.426 9.982 10.278 1.00 0.00 H new ATOM 1915 N LYS A 124 -13.844 9.819 7.753 1.00 0.00 N ATOM 1916 CA LYS A 124 -14.288 10.234 6.410 1.00 0.00 C ATOM 1917 C LYS A 124 -15.078 9.150 5.631 1.00 0.00 C ATOM 1918 O LYS A 124 -15.401 9.368 4.461 1.00 0.00 O ATOM 1919 CB LYS A 124 -13.042 10.711 5.625 1.00 0.00 C ATOM 1920 CG LYS A 124 -12.620 12.162 5.919 1.00 0.00 C ATOM 1921 CD LYS A 124 -13.599 13.205 5.358 1.00 0.00 C ATOM 1922 CE LYS A 124 -13.049 14.618 5.602 1.00 0.00 C ATOM 1923 NZ LYS A 124 -13.957 15.669 5.067 1.00 0.00 N ATOM 0 H LYS A 124 -13.470 8.870 7.773 1.00 0.00 H new ATOM 0 HA LYS A 124 -15.007 11.044 6.528 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -12.207 10.049 5.856 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -13.241 10.613 4.558 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -12.535 12.297 6.997 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -11.631 12.338 5.496 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -13.747 13.042 4.290 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -14.573 13.097 5.835 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -12.906 14.772 6.672 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -12.069 14.712 5.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -13.549 16.607 5.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -14.073 15.538 4.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -14.884 15.597 5.533 1.00 0.00 H new ATOM 1937 N SER A 125 -15.389 7.999 6.253 1.00 0.00 N ATOM 1938 CA SER A 125 -16.039 6.824 5.626 1.00 0.00 C ATOM 1939 C SER A 125 -17.290 7.146 4.796 1.00 0.00 C ATOM 1940 O SER A 125 -17.361 6.696 3.630 1.00 0.00 O ATOM 1941 CB SER A 125 -16.396 5.779 6.681 1.00 0.00 C ATOM 1942 OG SER A 125 -17.397 6.352 7.490 1.00 0.00 O ATOM 1943 OXT SER A 125 -18.224 7.766 5.362 1.00 0.00 O ATOM 0 H SER A 125 -15.189 7.852 7.242 1.00 0.00 H new ATOM 0 HA SER A 125 -15.297 6.437 4.928 1.00 0.00 H new ATOM 0 HB2 SER A 125 -16.754 4.862 6.213 1.00 0.00 H new ATOM 0 HB3 SER A 125 -15.522 5.514 7.275 1.00 0.00 H new ATOM 0 HG SER A 125 -17.812 7.102 7.015 1.00 0.00 H new TER 1949 SER A 125