USER MOD reduce.3.24.130724 H: found=0, std=0, add=879, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 879 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 78 CYS SG : rot 85:sc= 0.333 USER MOD Set 1.2: A 82 ASN : amide:sc= -0.0564 K(o=0.28,f=-0.56) USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.072 X(o=-0.072,f=0) USER MOD Single : A 4 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0372) USER MOD Single : A 5 CYS SG : rot -126:sc= 1.4 USER MOD Single : A 6 CYS SG : rot 75:sc= 0.258 USER MOD Single : A 7 SER OG : rot 69:sc= 0.518 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl 162:sc= -2.19 (180deg=-2.43!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HE2:sc= -0.976 K(o=-0.98,f=-3.9!) USER MOD Single : A 21 TYR OH : rot 30:sc= -0.0248 USER MOD Single : A 26 TYR OH : rot -117:sc= 1.05 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -0.181 X(o=-0.18,f=-0.45) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HE2:sc= 0.0751 K(o=0.075,f=-1.5) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl -161:sc= -3! (180deg=-4.11!) USER MOD Single : A 50 SER OG : rot -140:sc=-0.00968 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0193 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot -74:sc= 1.18 USER MOD Single : A 55 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.00601) USER MOD Single : A 61 TYR OH : rot 122:sc= -1.28 USER MOD Single : A 65 GLN : amide:sc= -0.0401 X(o=-0.04,f=-0.04) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.0257 X(o=-0.026,f=-0.41) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HD1:sc= -2.38! K(o=-2.4!,f=-1.1) USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00624) USER MOD Single : A 96 GLN : amide:sc= -0.0643 X(o=-0.064,f=0) USER MOD Single : A 101 MET CE :methyl 163:sc= 0 (180deg=-0.271) USER MOD Single : A 105 LYS NZ :NH3+ 154:sc= -0.109 (180deg=-0.488) USER MOD Single : A 106 MET CE :methyl -155:sc= -0.596 (180deg=-1.72!) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 170.726 -18.556 11.537 1.00 0.00 N ATOM 2 CA GLU A 1 170.906 -18.355 10.074 1.00 0.00 C ATOM 3 C GLU A 1 171.768 -17.129 9.788 1.00 0.00 C ATOM 4 O GLU A 1 171.605 -16.084 10.420 1.00 0.00 O ATOM 5 CB GLU A 1 169.529 -18.188 9.423 1.00 0.00 C ATOM 6 CG GLU A 1 169.458 -18.722 8.000 1.00 0.00 C ATOM 7 CD GLU A 1 168.186 -19.505 7.734 1.00 0.00 C ATOM 8 OE1 GLU A 1 168.101 -20.667 8.182 1.00 0.00 O ATOM 9 OE2 GLU A 1 167.275 -18.954 7.080 1.00 0.00 O ATOM 0 H1 GLU A 1 170.136 -19.396 11.702 1.00 0.00 H new ATOM 0 H2 GLU A 1 171.654 -18.691 11.986 1.00 0.00 H new ATOM 0 H3 GLU A 1 170.262 -17.721 11.948 1.00 0.00 H new ATOM 0 HA GLU A 1 171.415 -19.225 9.659 1.00 0.00 H new ATOM 0 HB2 GLU A 1 168.784 -18.701 10.032 1.00 0.00 H new ATOM 0 HB3 GLU A 1 169.264 -17.131 9.419 1.00 0.00 H new ATOM 0 HG2 GLU A 1 169.521 -17.889 7.300 1.00 0.00 H new ATOM 0 HG3 GLU A 1 170.320 -19.362 7.812 1.00 0.00 H new ATOM 18 N GLN A 2 172.679 -17.264 8.827 1.00 0.00 N ATOM 19 CA GLN A 2 173.565 -16.165 8.451 1.00 0.00 C ATOM 20 C GLN A 2 172.767 -14.994 7.878 1.00 0.00 C ATOM 21 O GLN A 2 173.096 -13.833 8.124 1.00 0.00 O ATOM 22 CB GLN A 2 174.607 -16.641 7.436 1.00 0.00 C ATOM 23 CG GLN A 2 175.462 -17.795 7.938 1.00 0.00 C ATOM 24 CD GLN A 2 175.765 -18.815 6.856 1.00 0.00 C ATOM 25 OE1 GLN A 2 176.926 -19.059 6.527 1.00 0.00 O ATOM 26 NE2 GLN A 2 174.721 -19.418 6.297 1.00 0.00 N ATOM 0 H GLN A 2 172.823 -18.122 8.295 1.00 0.00 H new ATOM 0 HA GLN A 2 174.080 -15.823 9.349 1.00 0.00 H new ATOM 0 HB2 GLN A 2 174.098 -16.947 6.522 1.00 0.00 H new ATOM 0 HB3 GLN A 2 175.256 -15.805 7.175 1.00 0.00 H new ATOM 0 HG2 GLN A 2 176.399 -17.402 8.334 1.00 0.00 H new ATOM 0 HG3 GLN A 2 174.950 -18.289 8.764 1.00 0.00 H new ATOM 0 HE21 GLN A 2 173.775 -19.185 6.600 1.00 0.00 H new ATOM 0 HE22 GLN A 2 174.865 -20.113 5.565 1.00 0.00 H new ATOM 35 N LEU A 3 171.711 -15.307 7.124 1.00 0.00 N ATOM 36 CA LEU A 3 170.860 -14.278 6.527 1.00 0.00 C ATOM 37 C LEU A 3 170.221 -13.406 7.608 1.00 0.00 C ATOM 38 O LEU A 3 170.186 -12.180 7.488 1.00 0.00 O ATOM 39 CB LEU A 3 169.767 -14.918 5.665 1.00 0.00 C ATOM 40 CG LEU A 3 170.140 -15.153 4.198 1.00 0.00 C ATOM 41 CD1 LEU A 3 169.107 -16.047 3.525 1.00 0.00 C ATOM 42 CD2 LEU A 3 170.262 -13.827 3.460 1.00 0.00 C ATOM 0 H LEU A 3 171.426 -16.263 6.913 1.00 0.00 H new ATOM 0 HA LEU A 3 171.488 -13.649 5.896 1.00 0.00 H new ATOM 0 HB2 LEU A 3 169.491 -15.874 6.110 1.00 0.00 H new ATOM 0 HB3 LEU A 3 168.882 -14.283 5.700 1.00 0.00 H new ATOM 0 HG LEU A 3 171.107 -15.655 4.162 1.00 0.00 H new ATOM 0 HD11 LEU A 3 169.386 -16.205 2.483 1.00 0.00 H new ATOM 0 HD12 LEU A 3 169.067 -17.007 4.039 1.00 0.00 H new ATOM 0 HD13 LEU A 3 168.128 -15.570 3.570 1.00 0.00 H new ATOM 0 HD21 LEU A 3 170.528 -14.013 2.419 1.00 0.00 H new ATOM 0 HD22 LEU A 3 169.310 -13.298 3.503 1.00 0.00 H new ATOM 0 HD23 LEU A 3 171.036 -13.219 3.929 1.00 0.00 H new ATOM 54 N LYS A 4 169.720 -14.047 8.667 1.00 0.00 N ATOM 55 CA LYS A 4 169.087 -13.327 9.770 1.00 0.00 C ATOM 56 C LYS A 4 170.113 -12.498 10.541 1.00 0.00 C ATOM 57 O LYS A 4 169.828 -11.373 10.951 1.00 0.00 O ATOM 58 CB LYS A 4 168.382 -14.299 10.723 1.00 0.00 C ATOM 59 CG LYS A 4 167.321 -15.159 10.051 1.00 0.00 C ATOM 60 CD LYS A 4 165.942 -14.519 10.140 1.00 0.00 C ATOM 61 CE LYS A 4 165.057 -15.226 11.157 1.00 0.00 C ATOM 62 NZ LYS A 4 165.653 -15.218 12.525 1.00 0.00 N ATOM 0 H LYS A 4 169.741 -15.060 8.782 1.00 0.00 H new ATOM 0 HA LYS A 4 168.344 -12.654 9.342 1.00 0.00 H new ATOM 0 HB2 LYS A 4 169.128 -14.950 11.180 1.00 0.00 H new ATOM 0 HB3 LYS A 4 167.918 -13.730 11.529 1.00 0.00 H new ATOM 0 HG2 LYS A 4 167.585 -15.312 9.005 1.00 0.00 H new ATOM 0 HG3 LYS A 4 167.297 -16.142 10.521 1.00 0.00 H new ATOM 0 HD2 LYS A 4 166.045 -13.469 10.415 1.00 0.00 H new ATOM 0 HD3 LYS A 4 165.464 -14.546 9.161 1.00 0.00 H new ATOM 0 HE2 LYS A 4 164.081 -14.742 11.185 1.00 0.00 H new ATOM 0 HE3 LYS A 4 164.893 -16.256 10.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 164.967 -15.603 13.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 166.513 -15.803 12.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 165.895 -14.243 12.792 1.00 0.00 H new ATOM 76 N CYS A 5 171.310 -13.060 10.733 1.00 0.00 N ATOM 77 CA CYS A 5 172.377 -12.367 11.454 1.00 0.00 C ATOM 78 C CYS A 5 172.796 -11.093 10.721 1.00 0.00 C ATOM 79 O CYS A 5 172.961 -10.041 11.340 1.00 0.00 O ATOM 80 CB CYS A 5 173.589 -13.284 11.637 1.00 0.00 C ATOM 81 SG CYS A 5 174.241 -13.313 13.323 1.00 0.00 S ATOM 0 H CYS A 5 171.562 -13.990 10.400 1.00 0.00 H new ATOM 0 HA CYS A 5 171.990 -12.092 12.435 1.00 0.00 H new ATOM 0 HB2 CYS A 5 173.312 -14.298 11.348 1.00 0.00 H new ATOM 0 HB3 CYS A 5 174.380 -12.964 10.958 1.00 0.00 H new ATOM 0 HG CYS A 5 175.511 -13.036 13.302 1.00 0.00 H new ATOM 87 N CYS A 6 172.958 -11.194 9.399 1.00 0.00 N ATOM 88 CA CYS A 6 173.350 -10.047 8.579 1.00 0.00 C ATOM 89 C CYS A 6 172.328 -8.918 8.702 1.00 0.00 C ATOM 90 O CYS A 6 172.691 -7.739 8.722 1.00 0.00 O ATOM 91 CB CYS A 6 173.492 -10.461 7.109 1.00 0.00 C ATOM 92 SG CYS A 6 174.910 -11.531 6.772 1.00 0.00 S ATOM 0 H CYS A 6 172.824 -12.059 8.875 1.00 0.00 H new ATOM 0 HA CYS A 6 174.313 -9.688 8.941 1.00 0.00 H new ATOM 0 HB2 CYS A 6 172.582 -10.975 6.799 1.00 0.00 H new ATOM 0 HB3 CYS A 6 173.576 -9.563 6.497 1.00 0.00 H new ATOM 0 HG CYS A 6 174.661 -12.731 7.206 1.00 0.00 H new ATOM 98 N SER A 7 171.049 -9.291 8.790 1.00 0.00 N ATOM 99 CA SER A 7 169.964 -8.320 8.917 1.00 0.00 C ATOM 100 C SER A 7 170.189 -7.390 10.109 1.00 0.00 C ATOM 101 O SER A 7 169.831 -6.214 10.056 1.00 0.00 O ATOM 102 CB SER A 7 168.619 -9.037 9.061 1.00 0.00 C ATOM 103 OG SER A 7 168.375 -9.893 7.958 1.00 0.00 O ATOM 0 H SER A 7 170.740 -10.263 8.775 1.00 0.00 H new ATOM 0 HA SER A 7 169.951 -7.716 8.010 1.00 0.00 H new ATOM 0 HB2 SER A 7 168.610 -9.617 9.984 1.00 0.00 H new ATOM 0 HB3 SER A 7 167.818 -8.302 9.138 1.00 0.00 H new ATOM 0 HG SER A 7 168.996 -10.651 7.988 1.00 0.00 H new ATOM 109 N GLY A 8 170.787 -7.920 11.181 1.00 0.00 N ATOM 110 CA GLY A 8 171.052 -7.114 12.363 1.00 0.00 C ATOM 111 C GLY A 8 171.949 -5.926 12.064 1.00 0.00 C ATOM 112 O GLY A 8 171.648 -4.801 12.465 1.00 0.00 O ATOM 0 H GLY A 8 171.091 -8.891 11.249 1.00 0.00 H new ATOM 0 HA2 GLY A 8 170.108 -6.758 12.776 1.00 0.00 H new ATOM 0 HA3 GLY A 8 171.520 -7.736 13.126 1.00 0.00 H new ATOM 116 N ILE A 9 173.046 -6.173 11.347 1.00 0.00 N ATOM 117 CA ILE A 9 173.981 -5.110 10.984 1.00 0.00 C ATOM 118 C ILE A 9 173.301 -4.096 10.069 1.00 0.00 C ATOM 119 O ILE A 9 173.401 -2.887 10.283 1.00 0.00 O ATOM 120 CB ILE A 9 175.241 -5.663 10.281 1.00 0.00 C ATOM 121 CG1 ILE A 9 175.859 -6.806 11.096 1.00 0.00 C ATOM 122 CG2 ILE A 9 176.259 -4.550 10.067 1.00 0.00 C ATOM 123 CD1 ILE A 9 176.306 -7.980 10.251 1.00 0.00 C ATOM 0 H ILE A 9 173.308 -7.098 11.007 1.00 0.00 H new ATOM 0 HA ILE A 9 174.291 -4.627 11.910 1.00 0.00 H new ATOM 0 HB ILE A 9 174.947 -6.058 9.308 1.00 0.00 H new ATOM 0 HG12 ILE A 9 176.714 -6.423 11.653 1.00 0.00 H new ATOM 0 HG13 ILE A 9 175.131 -7.153 11.829 1.00 0.00 H new ATOM 0 HG21 ILE A 9 177.141 -4.954 9.571 1.00 0.00 H new ATOM 0 HG22 ILE A 9 175.819 -3.769 9.446 1.00 0.00 H new ATOM 0 HG23 ILE A 9 176.546 -4.129 11.031 1.00 0.00 H new ATOM 0 HD11 ILE A 9 176.733 -8.750 10.894 1.00 0.00 H new ATOM 0 HD12 ILE A 9 175.450 -8.389 9.715 1.00 0.00 H new ATOM 0 HD13 ILE A 9 177.058 -7.648 9.535 1.00 0.00 H new ATOM 135 N LEU A 10 172.595 -4.600 9.057 1.00 0.00 N ATOM 136 CA LEU A 10 171.881 -3.742 8.116 1.00 0.00 C ATOM 137 C LEU A 10 170.790 -2.945 8.834 1.00 0.00 C ATOM 138 O LEU A 10 170.528 -1.791 8.494 1.00 0.00 O ATOM 139 CB LEU A 10 171.272 -4.574 6.982 1.00 0.00 C ATOM 140 CG LEU A 10 171.622 -4.102 5.567 1.00 0.00 C ATOM 141 CD1 LEU A 10 173.098 -4.335 5.274 1.00 0.00 C ATOM 142 CD2 LEU A 10 170.756 -4.813 4.537 1.00 0.00 C ATOM 0 H LEU A 10 172.503 -5.598 8.869 1.00 0.00 H new ATOM 0 HA LEU A 10 172.596 -3.041 7.686 1.00 0.00 H new ATOM 0 HB2 LEU A 10 171.600 -5.607 7.095 1.00 0.00 H new ATOM 0 HB3 LEU A 10 170.188 -4.570 7.092 1.00 0.00 H new ATOM 0 HG LEU A 10 171.424 -3.032 5.504 1.00 0.00 H new ATOM 0 HD11 LEU A 10 173.327 -3.993 4.265 1.00 0.00 H new ATOM 0 HD12 LEU A 10 173.703 -3.780 5.991 1.00 0.00 H new ATOM 0 HD13 LEU A 10 173.322 -5.399 5.357 1.00 0.00 H new ATOM 0 HD21 LEU A 10 171.019 -4.465 3.538 1.00 0.00 H new ATOM 0 HD22 LEU A 10 170.922 -5.888 4.602 1.00 0.00 H new ATOM 0 HD23 LEU A 10 169.706 -4.596 4.732 1.00 0.00 H new ATOM 154 N LYS A 11 170.160 -3.573 9.831 1.00 0.00 N ATOM 155 CA LYS A 11 169.098 -2.932 10.605 1.00 0.00 C ATOM 156 C LYS A 11 169.591 -1.650 11.278 1.00 0.00 C ATOM 157 O LYS A 11 168.804 -0.738 11.521 1.00 0.00 O ATOM 158 CB LYS A 11 168.555 -3.900 11.663 1.00 0.00 C ATOM 159 CG LYS A 11 167.302 -3.400 12.370 1.00 0.00 C ATOM 160 CD LYS A 11 166.863 -4.354 13.472 1.00 0.00 C ATOM 161 CE LYS A 11 166.992 -3.718 14.849 1.00 0.00 C ATOM 162 NZ LYS A 11 168.251 -4.122 15.537 1.00 0.00 N ATOM 0 H LYS A 11 170.370 -4.528 10.120 1.00 0.00 H new ATOM 0 HA LYS A 11 168.299 -2.665 9.914 1.00 0.00 H new ATOM 0 HB2 LYS A 11 168.336 -4.856 11.188 1.00 0.00 H new ATOM 0 HB3 LYS A 11 169.331 -4.084 12.406 1.00 0.00 H new ATOM 0 HG2 LYS A 11 167.492 -2.415 12.795 1.00 0.00 H new ATOM 0 HG3 LYS A 11 166.496 -3.284 11.645 1.00 0.00 H new ATOM 0 HD2 LYS A 11 165.828 -4.653 13.304 1.00 0.00 H new ATOM 0 HD3 LYS A 11 167.467 -5.260 13.431 1.00 0.00 H new ATOM 0 HE2 LYS A 11 166.965 -2.633 14.751 1.00 0.00 H new ATOM 0 HE3 LYS A 11 166.137 -4.004 15.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 168.298 -3.666 16.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 168.266 -5.155 15.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 169.069 -3.827 14.966 1.00 0.00 H new ATOM 176 N GLU A 12 170.893 -1.580 11.570 1.00 0.00 N ATOM 177 CA GLU A 12 171.473 -0.398 12.208 1.00 0.00 C ATOM 178 C GLU A 12 171.238 0.852 11.362 1.00 0.00 C ATOM 179 O GLU A 12 170.994 1.933 11.902 1.00 0.00 O ATOM 180 CB GLU A 12 172.973 -0.598 12.453 1.00 0.00 C ATOM 181 CG GLU A 12 173.429 -0.156 13.835 1.00 0.00 C ATOM 182 CD GLU A 12 173.288 -1.248 14.882 1.00 0.00 C ATOM 183 OE1 GLU A 12 172.241 -1.931 14.897 1.00 0.00 O ATOM 184 OE2 GLU A 12 174.225 -1.417 15.690 1.00 0.00 O ATOM 0 H GLU A 12 171.562 -2.325 11.375 1.00 0.00 H new ATOM 0 HA GLU A 12 170.977 -0.259 13.169 1.00 0.00 H new ATOM 0 HB2 GLU A 12 173.217 -1.652 12.319 1.00 0.00 H new ATOM 0 HB3 GLU A 12 173.533 -0.043 11.700 1.00 0.00 H new ATOM 0 HG2 GLU A 12 174.471 0.159 13.784 1.00 0.00 H new ATOM 0 HG3 GLU A 12 172.848 0.713 14.143 1.00 0.00 H new ATOM 191 N MET A 13 171.294 0.698 10.038 1.00 0.00 N ATOM 192 CA MET A 13 171.061 1.820 9.129 1.00 0.00 C ATOM 193 C MET A 13 169.680 2.427 9.376 1.00 0.00 C ATOM 194 O MET A 13 169.506 3.645 9.306 1.00 0.00 O ATOM 195 CB MET A 13 171.181 1.367 7.671 1.00 0.00 C ATOM 196 CG MET A 13 172.533 1.675 7.049 1.00 0.00 C ATOM 197 SD MET A 13 172.947 0.561 5.693 1.00 0.00 S ATOM 198 CE MET A 13 173.501 -0.881 6.596 1.00 0.00 C ATOM 0 H MET A 13 171.497 -0.187 9.574 1.00 0.00 H new ATOM 0 HA MET A 13 171.820 2.579 9.322 1.00 0.00 H new ATOM 0 HB2 MET A 13 171.001 0.293 7.617 1.00 0.00 H new ATOM 0 HB3 MET A 13 170.401 1.851 7.083 1.00 0.00 H new ATOM 0 HG2 MET A 13 172.534 2.702 6.683 1.00 0.00 H new ATOM 0 HG3 MET A 13 173.305 1.609 7.816 1.00 0.00 H new ATOM 0 HE1 MET A 13 173.487 -1.750 5.938 1.00 0.00 H new ATOM 0 HE2 MET A 13 174.516 -0.716 6.958 1.00 0.00 H new ATOM 0 HE3 MET A 13 172.838 -1.057 7.443 1.00 0.00 H new ATOM 208 N PHE A 14 168.703 1.566 9.674 1.00 0.00 N ATOM 209 CA PHE A 14 167.336 2.006 9.943 1.00 0.00 C ATOM 210 C PHE A 14 166.998 1.927 11.440 1.00 0.00 C ATOM 211 O PHE A 14 165.845 2.123 11.830 1.00 0.00 O ATOM 212 CB PHE A 14 166.346 1.157 9.143 1.00 0.00 C ATOM 213 CG PHE A 14 165.361 1.967 8.349 1.00 0.00 C ATOM 214 CD1 PHE A 14 164.193 2.432 8.935 1.00 0.00 C ATOM 215 CD2 PHE A 14 165.600 2.261 7.016 1.00 0.00 C ATOM 216 CE1 PHE A 14 163.284 3.173 8.206 1.00 0.00 C ATOM 217 CE2 PHE A 14 164.693 3.003 6.283 1.00 0.00 C ATOM 218 CZ PHE A 14 163.534 3.459 6.878 1.00 0.00 C ATOM 0 H PHE A 14 168.837 0.557 9.735 1.00 0.00 H new ATOM 0 HA PHE A 14 167.257 3.049 9.636 1.00 0.00 H new ATOM 0 HB2 PHE A 14 166.901 0.510 8.464 1.00 0.00 H new ATOM 0 HB3 PHE A 14 165.801 0.508 9.828 1.00 0.00 H new ATOM 0 HD1 PHE A 14 163.992 2.212 9.973 1.00 0.00 H new ATOM 0 HD2 PHE A 14 166.505 1.906 6.545 1.00 0.00 H new ATOM 0 HE1 PHE A 14 162.378 3.529 8.674 1.00 0.00 H new ATOM 0 HE2 PHE A 14 164.891 3.226 5.245 1.00 0.00 H new ATOM 0 HZ PHE A 14 162.824 4.038 6.306 1.00 0.00 H new ATOM 228 N ALA A 15 168.003 1.648 12.277 1.00 0.00 N ATOM 229 CA ALA A 15 167.800 1.554 13.723 1.00 0.00 C ATOM 230 C ALA A 15 168.080 2.889 14.416 1.00 0.00 C ATOM 231 O ALA A 15 168.232 2.941 15.638 1.00 0.00 O ATOM 232 CB ALA A 15 168.683 0.462 14.311 1.00 0.00 C ATOM 0 H ALA A 15 168.964 1.484 11.976 1.00 0.00 H new ATOM 0 HA ALA A 15 166.754 1.299 13.896 1.00 0.00 H new ATOM 0 HB1 ALA A 15 168.521 0.404 15.387 1.00 0.00 H new ATOM 0 HB2 ALA A 15 168.431 -0.495 13.854 1.00 0.00 H new ATOM 0 HB3 ALA A 15 169.729 0.694 14.113 1.00 0.00 H new ATOM 238 N LYS A 16 168.158 3.962 13.625 1.00 0.00 N ATOM 239 CA LYS A 16 168.428 5.303 14.145 1.00 0.00 C ATOM 240 C LYS A 16 169.860 5.407 14.676 1.00 0.00 C ATOM 241 O LYS A 16 170.132 6.149 15.622 1.00 0.00 O ATOM 242 CB LYS A 16 167.416 5.678 15.238 1.00 0.00 C ATOM 243 CG LYS A 16 166.210 6.445 14.713 1.00 0.00 C ATOM 244 CD LYS A 16 164.906 5.901 15.276 1.00 0.00 C ATOM 245 CE LYS A 16 164.550 4.550 14.671 1.00 0.00 C ATOM 246 NZ LYS A 16 163.077 4.364 14.551 1.00 0.00 N ATOM 0 H LYS A 16 168.037 3.926 12.613 1.00 0.00 H new ATOM 0 HA LYS A 16 168.320 6.010 13.322 1.00 0.00 H new ATOM 0 HB2 LYS A 16 167.072 4.769 15.731 1.00 0.00 H new ATOM 0 HB3 LYS A 16 167.918 6.280 15.995 1.00 0.00 H new ATOM 0 HG2 LYS A 16 166.307 7.499 14.975 1.00 0.00 H new ATOM 0 HG3 LYS A 16 166.188 6.387 13.625 1.00 0.00 H new ATOM 0 HD2 LYS A 16 164.990 5.804 16.358 1.00 0.00 H new ATOM 0 HD3 LYS A 16 164.102 6.610 15.081 1.00 0.00 H new ATOM 0 HE2 LYS A 16 165.008 4.462 13.686 1.00 0.00 H new ATOM 0 HE3 LYS A 16 164.967 3.755 15.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 162.878 3.432 14.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 162.642 4.423 15.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 162.682 5.107 13.941 1.00 0.00 H new ATOM 260 N LYS A 17 170.773 4.663 14.051 1.00 0.00 N ATOM 261 CA LYS A 17 172.179 4.671 14.447 1.00 0.00 C ATOM 262 C LYS A 17 173.081 5.054 13.273 1.00 0.00 C ATOM 263 O LYS A 17 174.069 5.768 13.451 1.00 0.00 O ATOM 264 CB LYS A 17 172.587 3.304 15.000 1.00 0.00 C ATOM 265 CG LYS A 17 171.833 2.910 16.261 1.00 0.00 C ATOM 266 CD LYS A 17 172.092 1.460 16.635 1.00 0.00 C ATOM 267 CE LYS A 17 172.325 1.302 18.130 1.00 0.00 C ATOM 268 NZ LYS A 17 173.777 1.287 18.472 1.00 0.00 N ATOM 0 H LYS A 17 170.562 4.046 13.267 1.00 0.00 H new ATOM 0 HA LYS A 17 172.301 5.420 15.229 1.00 0.00 H new ATOM 0 HB2 LYS A 17 172.419 2.546 14.234 1.00 0.00 H new ATOM 0 HB3 LYS A 17 173.656 3.311 15.213 1.00 0.00 H new ATOM 0 HG2 LYS A 17 172.134 3.558 17.084 1.00 0.00 H new ATOM 0 HG3 LYS A 17 170.764 3.062 16.110 1.00 0.00 H new ATOM 0 HD2 LYS A 17 171.243 0.848 16.332 1.00 0.00 H new ATOM 0 HD3 LYS A 17 172.961 1.092 16.090 1.00 0.00 H new ATOM 0 HE2 LYS A 17 171.836 2.119 18.661 1.00 0.00 H new ATOM 0 HE3 LYS A 17 171.862 0.377 18.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 173.890 1.178 19.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 174.240 0.492 17.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 174.214 2.180 18.169 1.00 0.00 H new ATOM 282 N HIS A 18 172.732 4.585 12.074 1.00 0.00 N ATOM 283 CA HIS A 18 173.504 4.886 10.872 1.00 0.00 C ATOM 284 C HIS A 18 172.656 5.634 9.838 1.00 0.00 C ATOM 285 O HIS A 18 173.011 5.688 8.658 1.00 0.00 O ATOM 286 CB HIS A 18 174.053 3.595 10.263 1.00 0.00 C ATOM 287 CG HIS A 18 175.461 3.298 10.671 1.00 0.00 C ATOM 288 ND1 HIS A 18 176.514 4.152 10.422 1.00 0.00 N ATOM 289 CD2 HIS A 18 175.987 2.237 11.325 1.00 0.00 C ATOM 290 CE1 HIS A 18 177.626 3.628 10.903 1.00 0.00 C ATOM 291 NE2 HIS A 18 177.334 2.466 11.459 1.00 0.00 N ATOM 0 H HIS A 18 171.917 3.994 11.911 1.00 0.00 H new ATOM 0 HA HIS A 18 174.334 5.531 11.159 1.00 0.00 H new ATOM 0 HB2 HIS A 18 173.414 2.763 10.557 1.00 0.00 H new ATOM 0 HB3 HIS A 18 174.004 3.665 9.176 1.00 0.00 H new ATOM 0 HD1 HIS A 18 176.445 5.049 9.941 1.00 0.00 H new ATOM 0 HD2 HIS A 18 175.447 1.370 11.677 1.00 0.00 H new ATOM 0 HE1 HIS A 18 178.608 4.074 10.851 1.00 0.00 H new ATOM 300 N ALA A 19 171.542 6.217 10.286 1.00 0.00 N ATOM 301 CA ALA A 19 170.655 6.965 9.398 1.00 0.00 C ATOM 302 C ALA A 19 171.210 8.356 9.104 1.00 0.00 C ATOM 303 O ALA A 19 170.973 8.910 8.032 1.00 0.00 O ATOM 304 CB ALA A 19 169.263 7.073 10.002 1.00 0.00 C ATOM 0 H ALA A 19 171.234 6.185 11.258 1.00 0.00 H new ATOM 0 HA ALA A 19 170.590 6.420 8.456 1.00 0.00 H new ATOM 0 HB1 ALA A 19 168.616 7.633 9.327 1.00 0.00 H new ATOM 0 HB2 ALA A 19 168.853 6.074 10.152 1.00 0.00 H new ATOM 0 HB3 ALA A 19 169.321 7.589 10.960 1.00 0.00 H new ATOM 310 N ALA A 20 171.955 8.912 10.061 1.00 0.00 N ATOM 311 CA ALA A 20 172.549 10.237 9.897 1.00 0.00 C ATOM 312 C ALA A 20 173.663 10.208 8.854 1.00 0.00 C ATOM 313 O ALA A 20 173.817 11.146 8.071 1.00 0.00 O ATOM 314 CB ALA A 20 173.079 10.754 11.226 1.00 0.00 C ATOM 0 H ALA A 20 172.160 8.466 10.955 1.00 0.00 H new ATOM 0 HA ALA A 20 171.771 10.915 9.547 1.00 0.00 H new ATOM 0 HB1 ALA A 20 173.517 11.742 11.083 1.00 0.00 H new ATOM 0 HB2 ALA A 20 172.261 10.820 11.943 1.00 0.00 H new ATOM 0 HB3 ALA A 20 173.839 10.071 11.605 1.00 0.00 H new ATOM 320 N TYR A 21 174.430 9.118 8.842 1.00 0.00 N ATOM 321 CA TYR A 21 175.521 8.958 7.886 1.00 0.00 C ATOM 322 C TYR A 21 174.990 8.504 6.527 1.00 0.00 C ATOM 323 O TYR A 21 175.527 8.882 5.486 1.00 0.00 O ATOM 324 CB TYR A 21 176.548 7.952 8.413 1.00 0.00 C ATOM 325 CG TYR A 21 177.686 8.589 9.180 1.00 0.00 C ATOM 326 CD1 TYR A 21 177.447 9.571 10.135 1.00 0.00 C ATOM 327 CD2 TYR A 21 179.001 8.208 8.947 1.00 0.00 C ATOM 328 CE1 TYR A 21 178.486 10.153 10.835 1.00 0.00 C ATOM 329 CE2 TYR A 21 180.044 8.786 9.643 1.00 0.00 C ATOM 330 CZ TYR A 21 179.782 9.757 10.585 1.00 0.00 C ATOM 331 OH TYR A 21 180.822 10.334 11.279 1.00 0.00 O ATOM 0 H TYR A 21 174.315 8.334 9.484 1.00 0.00 H new ATOM 0 HA TYR A 21 176.007 9.925 7.760 1.00 0.00 H new ATOM 0 HB2 TYR A 21 176.042 7.235 9.060 1.00 0.00 H new ATOM 0 HB3 TYR A 21 176.957 7.390 7.573 1.00 0.00 H new ATOM 0 HD1 TYR A 21 176.432 9.884 10.333 1.00 0.00 H new ATOM 0 HD2 TYR A 21 179.211 7.447 8.210 1.00 0.00 H new ATOM 0 HE1 TYR A 21 178.284 10.914 11.574 1.00 0.00 H new ATOM 0 HE2 TYR A 21 181.061 8.478 9.450 1.00 0.00 H new ATOM 0 HH TYR A 21 180.512 10.604 12.168 1.00 0.00 H new ATOM 341 N ALA A 22 173.929 7.695 6.545 1.00 0.00 N ATOM 342 CA ALA A 22 173.323 7.193 5.313 1.00 0.00 C ATOM 343 C ALA A 22 172.097 8.016 4.903 1.00 0.00 C ATOM 344 O ALA A 22 171.269 7.550 4.121 1.00 0.00 O ATOM 345 CB ALA A 22 172.946 5.725 5.471 1.00 0.00 C ATOM 0 H ALA A 22 173.473 7.374 7.399 1.00 0.00 H new ATOM 0 HA ALA A 22 174.063 7.290 4.519 1.00 0.00 H new ATOM 0 HB1 ALA A 22 172.496 5.363 4.547 1.00 0.00 H new ATOM 0 HB2 ALA A 22 173.840 5.142 5.692 1.00 0.00 H new ATOM 0 HB3 ALA A 22 172.232 5.619 6.288 1.00 0.00 H new ATOM 351 N TRP A 23 171.982 9.240 5.427 1.00 0.00 N ATOM 352 CA TRP A 23 170.853 10.108 5.095 1.00 0.00 C ATOM 353 C TRP A 23 170.852 10.464 3.605 1.00 0.00 C ATOM 354 O TRP A 23 169.836 10.300 2.928 1.00 0.00 O ATOM 355 CB TRP A 23 170.882 11.384 5.947 1.00 0.00 C ATOM 356 CG TRP A 23 169.530 11.798 6.451 1.00 0.00 C ATOM 357 CD1 TRP A 23 168.636 11.025 7.138 1.00 0.00 C ATOM 358 CD2 TRP A 23 168.918 13.087 6.308 1.00 0.00 C ATOM 359 NE1 TRP A 23 167.510 11.754 7.432 1.00 0.00 N ATOM 360 CE2 TRP A 23 167.658 13.022 6.934 1.00 0.00 C ATOM 361 CE3 TRP A 23 169.313 14.289 5.714 1.00 0.00 C ATOM 362 CZ2 TRP A 23 166.793 14.113 6.982 1.00 0.00 C ATOM 363 CZ3 TRP A 23 168.454 15.370 5.762 1.00 0.00 C ATOM 364 CH2 TRP A 23 167.207 15.276 6.393 1.00 0.00 C ATOM 0 H TRP A 23 172.653 9.648 6.078 1.00 0.00 H new ATOM 0 HA TRP A 23 169.936 9.562 5.316 1.00 0.00 H new ATOM 0 HB2 TRP A 23 171.546 11.229 6.797 1.00 0.00 H new ATOM 0 HB3 TRP A 23 171.305 12.196 5.356 1.00 0.00 H new ATOM 0 HD1 TRP A 23 168.792 9.992 7.410 1.00 0.00 H new ATOM 0 HE1 TRP A 23 166.695 11.408 7.939 1.00 0.00 H new ATOM 0 HE3 TRP A 23 170.273 14.371 5.226 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 165.830 14.043 7.467 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 168.749 16.303 5.305 1.00 0.00 H new ATOM 0 HH2 TRP A 23 166.559 16.140 6.415 1.00 0.00 H new ATOM 375 N PRO A 24 171.992 10.954 3.067 1.00 0.00 N ATOM 376 CA PRO A 24 172.104 11.324 1.646 1.00 0.00 C ATOM 377 C PRO A 24 171.893 10.134 0.704 1.00 0.00 C ATOM 378 O PRO A 24 171.533 10.315 -0.460 1.00 0.00 O ATOM 379 CB PRO A 24 173.537 11.857 1.515 1.00 0.00 C ATOM 380 CG PRO A 24 173.972 12.163 2.908 1.00 0.00 C ATOM 381 CD PRO A 24 173.256 11.185 3.790 1.00 0.00 C ATOM 0 HA PRO A 24 171.339 12.047 1.365 1.00 0.00 H new ATOM 0 HB2 PRO A 24 174.191 11.118 1.052 1.00 0.00 H new ATOM 0 HB3 PRO A 24 173.569 12.748 0.888 1.00 0.00 H new ATOM 0 HG2 PRO A 24 175.052 12.062 3.010 1.00 0.00 H new ATOM 0 HG3 PRO A 24 173.721 13.189 3.179 1.00 0.00 H new ATOM 0 HD2 PRO A 24 173.824 10.263 3.916 1.00 0.00 H new ATOM 0 HD3 PRO A 24 173.083 11.591 4.787 1.00 0.00 H new ATOM 389 N PHE A 25 172.118 8.921 1.215 1.00 0.00 N ATOM 390 CA PHE A 25 171.953 7.700 0.429 1.00 0.00 C ATOM 391 C PHE A 25 170.969 6.746 1.117 1.00 0.00 C ATOM 392 O PHE A 25 171.124 5.524 1.057 1.00 0.00 O ATOM 393 CB PHE A 25 173.313 7.018 0.238 1.00 0.00 C ATOM 394 CG PHE A 25 173.688 6.772 -1.200 1.00 0.00 C ATOM 395 CD1 PHE A 25 173.514 7.756 -2.164 1.00 0.00 C ATOM 396 CD2 PHE A 25 174.221 5.553 -1.585 1.00 0.00 C ATOM 397 CE1 PHE A 25 173.868 7.525 -3.482 1.00 0.00 C ATOM 398 CE2 PHE A 25 174.575 5.318 -2.900 1.00 0.00 C ATOM 399 CZ PHE A 25 174.397 6.304 -3.849 1.00 0.00 C ATOM 0 H PHE A 25 172.417 8.760 2.177 1.00 0.00 H new ATOM 0 HA PHE A 25 171.547 7.962 -0.548 1.00 0.00 H new ATOM 0 HB2 PHE A 25 174.083 7.634 0.702 1.00 0.00 H new ATOM 0 HB3 PHE A 25 173.306 6.065 0.767 1.00 0.00 H new ATOM 0 HD1 PHE A 25 173.098 8.712 -1.882 1.00 0.00 H new ATOM 0 HD2 PHE A 25 174.362 4.776 -0.848 1.00 0.00 H new ATOM 0 HE1 PHE A 25 173.730 8.299 -4.222 1.00 0.00 H new ATOM 0 HE2 PHE A 25 174.991 4.363 -3.185 1.00 0.00 H new ATOM 0 HZ PHE A 25 174.671 6.121 -4.877 1.00 0.00 H new ATOM 409 N TYR A 26 169.959 7.319 1.773 1.00 0.00 N ATOM 410 CA TYR A 26 168.948 6.533 2.477 1.00 0.00 C ATOM 411 C TYR A 26 167.949 5.930 1.493 1.00 0.00 C ATOM 412 O TYR A 26 167.628 4.743 1.568 1.00 0.00 O ATOM 413 CB TYR A 26 168.217 7.414 3.495 1.00 0.00 C ATOM 414 CG TYR A 26 167.824 6.696 4.769 1.00 0.00 C ATOM 415 CD1 TYR A 26 168.773 6.051 5.555 1.00 0.00 C ATOM 416 CD2 TYR A 26 166.501 6.675 5.190 1.00 0.00 C ATOM 417 CE1 TYR A 26 168.412 5.405 6.722 1.00 0.00 C ATOM 418 CE2 TYR A 26 166.133 6.031 6.355 1.00 0.00 C ATOM 419 CZ TYR A 26 167.091 5.398 7.117 1.00 0.00 C ATOM 420 OH TYR A 26 166.727 4.760 8.279 1.00 0.00 O ATOM 0 H TYR A 26 169.820 8.328 1.831 1.00 0.00 H new ATOM 0 HA TYR A 26 169.447 5.718 3.001 1.00 0.00 H new ATOM 0 HB2 TYR A 26 168.855 8.260 3.750 1.00 0.00 H new ATOM 0 HB3 TYR A 26 167.319 7.820 3.029 1.00 0.00 H new ATOM 0 HD1 TYR A 26 169.809 6.055 5.248 1.00 0.00 H new ATOM 0 HD2 TYR A 26 165.747 7.171 4.596 1.00 0.00 H new ATOM 0 HE1 TYR A 26 169.161 4.908 7.321 1.00 0.00 H new ATOM 0 HE2 TYR A 26 165.099 6.024 6.667 1.00 0.00 H new ATOM 0 HH TYR A 26 166.119 4.020 8.069 1.00 0.00 H new ATOM 430 N LYS A 27 167.467 6.758 0.567 1.00 0.00 N ATOM 431 CA LYS A 27 166.508 6.314 -0.442 1.00 0.00 C ATOM 432 C LYS A 27 167.196 6.105 -1.792 1.00 0.00 C ATOM 433 O LYS A 27 168.333 6.536 -1.988 1.00 0.00 O ATOM 434 CB LYS A 27 165.374 7.336 -0.578 1.00 0.00 C ATOM 435 CG LYS A 27 164.064 6.881 0.049 1.00 0.00 C ATOM 436 CD LYS A 27 162.886 7.087 -0.894 1.00 0.00 C ATOM 437 CE LYS A 27 162.087 5.805 -1.084 1.00 0.00 C ATOM 438 NZ LYS A 27 161.253 5.843 -2.320 1.00 0.00 N ATOM 0 H LYS A 27 167.726 7.742 0.495 1.00 0.00 H new ATOM 0 HA LYS A 27 166.089 5.360 -0.121 1.00 0.00 H new ATOM 0 HB2 LYS A 27 165.683 8.273 -0.114 1.00 0.00 H new ATOM 0 HB3 LYS A 27 165.208 7.543 -1.635 1.00 0.00 H new ATOM 0 HG2 LYS A 27 164.136 5.827 0.317 1.00 0.00 H new ATOM 0 HG3 LYS A 27 163.892 7.433 0.973 1.00 0.00 H new ATOM 0 HD2 LYS A 27 162.235 7.867 -0.498 1.00 0.00 H new ATOM 0 HD3 LYS A 27 163.250 7.436 -1.860 1.00 0.00 H new ATOM 0 HE2 LYS A 27 162.770 4.957 -1.133 1.00 0.00 H new ATOM 0 HE3 LYS A 27 161.444 5.647 -0.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 160.726 4.951 -2.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 160.583 6.637 -2.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 161.867 5.968 -3.150 1.00 0.00 H new ATOM 452 N PRO A 28 166.513 5.438 -2.746 1.00 0.00 N ATOM 453 CA PRO A 28 167.068 5.176 -4.081 1.00 0.00 C ATOM 454 C PRO A 28 167.136 6.438 -4.943 1.00 0.00 C ATOM 455 O PRO A 28 166.899 7.547 -4.458 1.00 0.00 O ATOM 456 CB PRO A 28 166.081 4.169 -4.678 1.00 0.00 C ATOM 457 CG PRO A 28 164.791 4.456 -3.994 1.00 0.00 C ATOM 458 CD PRO A 28 165.148 4.891 -2.599 1.00 0.00 C ATOM 0 HA PRO A 28 168.095 4.813 -4.034 1.00 0.00 H new ATOM 0 HB2 PRO A 28 165.993 4.292 -5.757 1.00 0.00 H new ATOM 0 HB3 PRO A 28 166.405 3.144 -4.500 1.00 0.00 H new ATOM 0 HG2 PRO A 28 164.238 5.237 -4.516 1.00 0.00 H new ATOM 0 HG3 PRO A 28 164.154 3.572 -3.976 1.00 0.00 H new ATOM 0 HD2 PRO A 28 164.453 5.642 -2.223 1.00 0.00 H new ATOM 0 HD3 PRO A 28 165.124 4.055 -1.900 1.00 0.00 H new ATOM 466 N VAL A 29 167.459 6.261 -6.223 1.00 0.00 N ATOM 467 CA VAL A 29 167.555 7.383 -7.151 1.00 0.00 C ATOM 468 C VAL A 29 166.462 7.316 -8.217 1.00 0.00 C ATOM 469 O VAL A 29 166.716 6.947 -9.366 1.00 0.00 O ATOM 470 CB VAL A 29 168.944 7.446 -7.825 1.00 0.00 C ATOM 471 CG1 VAL A 29 169.985 7.962 -6.843 1.00 0.00 C ATOM 472 CG2 VAL A 29 169.351 6.083 -8.373 1.00 0.00 C ATOM 0 H VAL A 29 167.658 5.351 -6.639 1.00 0.00 H new ATOM 0 HA VAL A 29 167.416 8.292 -6.565 1.00 0.00 H new ATOM 0 HB VAL A 29 168.883 8.138 -8.665 1.00 0.00 H new ATOM 0 HG11 VAL A 29 170.958 8.001 -7.332 1.00 0.00 H new ATOM 0 HG12 VAL A 29 169.706 8.961 -6.509 1.00 0.00 H new ATOM 0 HG13 VAL A 29 170.037 7.294 -5.983 1.00 0.00 H new ATOM 0 HG21 VAL A 29 170.332 6.158 -8.842 1.00 0.00 H new ATOM 0 HG22 VAL A 29 169.392 5.361 -7.558 1.00 0.00 H new ATOM 0 HG23 VAL A 29 168.620 5.755 -9.112 1.00 0.00 H new ATOM 482 N ASP A 30 165.239 7.679 -7.822 1.00 0.00 N ATOM 483 CA ASP A 30 164.095 7.669 -8.732 1.00 0.00 C ATOM 484 C ASP A 30 164.336 8.605 -9.915 1.00 0.00 C ATOM 485 O ASP A 30 164.152 9.817 -9.806 1.00 0.00 O ATOM 486 CB ASP A 30 162.820 8.087 -7.990 1.00 0.00 C ATOM 487 CG ASP A 30 162.195 6.951 -7.200 1.00 0.00 C ATOM 488 OD1 ASP A 30 162.142 5.817 -7.723 1.00 0.00 O ATOM 489 OD2 ASP A 30 161.754 7.197 -6.057 1.00 0.00 O ATOM 0 H ASP A 30 165.017 7.984 -6.874 1.00 0.00 H new ATOM 0 HA ASP A 30 163.971 6.654 -9.110 1.00 0.00 H new ATOM 0 HB2 ASP A 30 163.053 8.908 -7.312 1.00 0.00 H new ATOM 0 HB3 ASP A 30 162.094 8.464 -8.710 1.00 0.00 H new ATOM 494 N VAL A 31 164.758 8.036 -11.043 1.00 0.00 N ATOM 495 CA VAL A 31 165.032 8.825 -12.241 1.00 0.00 C ATOM 496 C VAL A 31 163.785 9.569 -12.731 1.00 0.00 C ATOM 497 O VAL A 31 163.879 10.712 -13.176 1.00 0.00 O ATOM 498 CB VAL A 31 165.603 7.944 -13.378 1.00 0.00 C ATOM 499 CG1 VAL A 31 164.601 6.881 -13.814 1.00 0.00 C ATOM 500 CG2 VAL A 31 166.033 8.803 -14.559 1.00 0.00 C ATOM 0 H VAL A 31 164.917 7.034 -11.152 1.00 0.00 H new ATOM 0 HA VAL A 31 165.782 9.565 -11.963 1.00 0.00 H new ATOM 0 HB VAL A 31 166.482 7.428 -12.991 1.00 0.00 H new ATOM 0 HG11 VAL A 31 165.033 6.280 -14.614 1.00 0.00 H new ATOM 0 HG12 VAL A 31 164.360 6.239 -12.967 1.00 0.00 H new ATOM 0 HG13 VAL A 31 163.692 7.363 -14.174 1.00 0.00 H new ATOM 0 HG21 VAL A 31 166.431 8.164 -15.347 1.00 0.00 H new ATOM 0 HG22 VAL A 31 165.174 9.355 -14.939 1.00 0.00 H new ATOM 0 HG23 VAL A 31 166.802 9.505 -14.237 1.00 0.00 H new ATOM 510 N GLU A 32 162.622 8.920 -12.647 1.00 0.00 N ATOM 511 CA GLU A 32 161.366 9.535 -13.081 1.00 0.00 C ATOM 512 C GLU A 32 160.911 10.632 -12.114 1.00 0.00 C ATOM 513 O GLU A 32 160.526 11.721 -12.540 1.00 0.00 O ATOM 514 CB GLU A 32 160.270 8.476 -13.224 1.00 0.00 C ATOM 515 CG GLU A 32 160.395 7.651 -14.497 1.00 0.00 C ATOM 516 CD GLU A 32 159.604 6.356 -14.449 1.00 0.00 C ATOM 517 OE1 GLU A 32 159.626 5.680 -13.398 1.00 0.00 O ATOM 518 OE2 GLU A 32 158.964 6.017 -15.467 1.00 0.00 O ATOM 0 H GLU A 32 162.524 7.972 -12.284 1.00 0.00 H new ATOM 0 HA GLU A 32 161.547 9.995 -14.052 1.00 0.00 H new ATOM 0 HB2 GLU A 32 160.303 7.809 -12.362 1.00 0.00 H new ATOM 0 HB3 GLU A 32 159.296 8.966 -13.211 1.00 0.00 H new ATOM 0 HG2 GLU A 32 160.054 8.247 -15.344 1.00 0.00 H new ATOM 0 HG3 GLU A 32 161.446 7.421 -14.672 1.00 0.00 H new ATOM 525 N ALA A 33 160.943 10.332 -10.813 1.00 0.00 N ATOM 526 CA ALA A 33 160.518 11.290 -9.791 1.00 0.00 C ATOM 527 C ALA A 33 161.524 12.427 -9.614 1.00 0.00 C ATOM 528 O ALA A 33 161.145 13.598 -9.584 1.00 0.00 O ATOM 529 CB ALA A 33 160.286 10.584 -8.462 1.00 0.00 C ATOM 0 H ALA A 33 161.258 9.435 -10.444 1.00 0.00 H new ATOM 0 HA ALA A 33 159.581 11.730 -10.133 1.00 0.00 H new ATOM 0 HB1 ALA A 33 159.971 11.311 -7.714 1.00 0.00 H new ATOM 0 HB2 ALA A 33 159.510 9.828 -8.582 1.00 0.00 H new ATOM 0 HB3 ALA A 33 161.211 10.107 -8.137 1.00 0.00 H new ATOM 535 N LEU A 34 162.803 12.077 -9.483 1.00 0.00 N ATOM 536 CA LEU A 34 163.855 13.075 -9.292 1.00 0.00 C ATOM 537 C LEU A 34 164.279 13.721 -10.612 1.00 0.00 C ATOM 538 O LEU A 34 164.842 14.817 -10.614 1.00 0.00 O ATOM 539 CB LEU A 34 165.074 12.439 -8.620 1.00 0.00 C ATOM 540 CG LEU A 34 164.809 11.801 -7.254 1.00 0.00 C ATOM 541 CD1 LEU A 34 165.850 10.731 -6.954 1.00 0.00 C ATOM 542 CD2 LEU A 34 164.800 12.865 -6.164 1.00 0.00 C ATOM 0 H LEU A 34 163.135 11.113 -9.506 1.00 0.00 H new ATOM 0 HA LEU A 34 163.445 13.856 -8.651 1.00 0.00 H new ATOM 0 HB2 LEU A 34 165.479 11.677 -9.286 1.00 0.00 H new ATOM 0 HB3 LEU A 34 165.843 13.202 -8.503 1.00 0.00 H new ATOM 0 HG LEU A 34 163.828 11.326 -7.277 1.00 0.00 H new ATOM 0 HD11 LEU A 34 165.646 10.288 -5.979 1.00 0.00 H new ATOM 0 HD12 LEU A 34 165.807 9.957 -7.720 1.00 0.00 H new ATOM 0 HD13 LEU A 34 166.843 11.181 -6.948 1.00 0.00 H new ATOM 0 HD21 LEU A 34 164.610 12.395 -5.199 1.00 0.00 H new ATOM 0 HD22 LEU A 34 165.766 13.368 -6.139 1.00 0.00 H new ATOM 0 HD23 LEU A 34 164.017 13.594 -6.373 1.00 0.00 H new ATOM 554 N GLY A 35 164.015 13.042 -11.730 1.00 0.00 N ATOM 555 CA GLY A 35 164.386 13.578 -13.030 1.00 0.00 C ATOM 556 C GLY A 35 165.889 13.713 -13.191 1.00 0.00 C ATOM 557 O GLY A 35 166.383 14.783 -13.549 1.00 0.00 O ATOM 0 H GLY A 35 163.552 12.133 -11.757 1.00 0.00 H new ATOM 0 HA2 GLY A 35 163.996 12.928 -13.813 1.00 0.00 H new ATOM 0 HA3 GLY A 35 163.920 14.554 -13.164 1.00 0.00 H new ATOM 561 N LEU A 36 166.619 12.627 -12.927 1.00 0.00 N ATOM 562 CA LEU A 36 168.077 12.636 -13.043 1.00 0.00 C ATOM 563 C LEU A 36 168.557 11.633 -14.095 1.00 0.00 C ATOM 564 O LEU A 36 169.144 10.599 -13.767 1.00 0.00 O ATOM 565 CB LEU A 36 168.740 12.345 -11.685 1.00 0.00 C ATOM 566 CG LEU A 36 167.961 11.420 -10.740 1.00 0.00 C ATOM 567 CD1 LEU A 36 168.132 9.964 -11.148 1.00 0.00 C ATOM 568 CD2 LEU A 36 168.417 11.627 -9.301 1.00 0.00 C ATOM 0 H LEU A 36 166.225 11.733 -12.632 1.00 0.00 H new ATOM 0 HA LEU A 36 168.373 13.634 -13.365 1.00 0.00 H new ATOM 0 HB2 LEU A 36 169.719 11.903 -11.869 1.00 0.00 H new ATOM 0 HB3 LEU A 36 168.909 13.293 -11.175 1.00 0.00 H new ATOM 0 HG LEU A 36 166.903 11.671 -10.810 1.00 0.00 H new ATOM 0 HD11 LEU A 36 167.571 9.326 -10.464 1.00 0.00 H new ATOM 0 HD12 LEU A 36 167.759 9.824 -12.163 1.00 0.00 H new ATOM 0 HD13 LEU A 36 169.188 9.697 -11.109 1.00 0.00 H new ATOM 0 HD21 LEU A 36 167.856 10.964 -8.643 1.00 0.00 H new ATOM 0 HD22 LEU A 36 169.481 11.403 -9.221 1.00 0.00 H new ATOM 0 HD23 LEU A 36 168.241 12.662 -9.009 1.00 0.00 H new ATOM 580 N HIS A 37 168.315 11.956 -15.365 1.00 0.00 N ATOM 581 CA HIS A 37 168.732 11.095 -16.475 1.00 0.00 C ATOM 582 C HIS A 37 170.258 11.038 -16.598 1.00 0.00 C ATOM 583 O HIS A 37 170.797 10.165 -17.280 1.00 0.00 O ATOM 584 CB HIS A 37 168.124 11.577 -17.799 1.00 0.00 C ATOM 585 CG HIS A 37 168.309 13.043 -18.057 1.00 0.00 C ATOM 586 ND1 HIS A 37 167.335 13.981 -17.793 1.00 0.00 N ATOM 587 CD2 HIS A 37 169.363 13.730 -18.562 1.00 0.00 C ATOM 588 CE1 HIS A 37 167.777 15.180 -18.125 1.00 0.00 C ATOM 589 NE2 HIS A 37 169.006 15.056 -18.593 1.00 0.00 N ATOM 0 H HIS A 37 167.832 12.807 -15.652 1.00 0.00 H new ATOM 0 HA HIS A 37 168.366 10.091 -16.260 1.00 0.00 H new ATOM 0 HB2 HIS A 37 168.572 11.015 -18.619 1.00 0.00 H new ATOM 0 HB3 HIS A 37 167.058 11.350 -17.802 1.00 0.00 H new ATOM 0 HD2 HIS A 37 170.307 13.313 -18.880 1.00 0.00 H new ATOM 0 HE1 HIS A 37 167.227 16.105 -18.030 1.00 0.00 H new ATOM 0 HE2 HIS A 37 169.594 15.821 -18.924 1.00 0.00 H new ATOM 598 N ASP A 38 170.951 11.967 -15.933 1.00 0.00 N ATOM 599 CA ASP A 38 172.409 12.011 -15.973 1.00 0.00 C ATOM 600 C ASP A 38 173.025 10.924 -15.089 1.00 0.00 C ATOM 601 O ASP A 38 174.188 10.563 -15.266 1.00 0.00 O ATOM 602 CB ASP A 38 172.911 13.389 -15.530 1.00 0.00 C ATOM 603 CG ASP A 38 174.163 13.818 -16.273 1.00 0.00 C ATOM 604 OD1 ASP A 38 174.135 13.839 -17.521 1.00 0.00 O ATOM 605 OD2 ASP A 38 175.169 14.134 -15.605 1.00 0.00 O ATOM 0 H ASP A 38 170.523 12.696 -15.362 1.00 0.00 H new ATOM 0 HA ASP A 38 172.719 11.828 -17.002 1.00 0.00 H new ATOM 0 HB2 ASP A 38 172.126 14.127 -15.692 1.00 0.00 H new ATOM 0 HB3 ASP A 38 173.116 13.371 -14.460 1.00 0.00 H new ATOM 610 N TYR A 39 172.240 10.403 -14.142 1.00 0.00 N ATOM 611 CA TYR A 39 172.716 9.355 -13.243 1.00 0.00 C ATOM 612 C TYR A 39 173.111 8.101 -14.022 1.00 0.00 C ATOM 613 O TYR A 39 174.105 7.453 -13.697 1.00 0.00 O ATOM 614 CB TYR A 39 171.643 9.008 -12.210 1.00 0.00 C ATOM 615 CG TYR A 39 172.202 8.706 -10.837 1.00 0.00 C ATOM 616 CD1 TYR A 39 172.860 7.508 -10.579 1.00 0.00 C ATOM 617 CD2 TYR A 39 172.074 9.620 -9.798 1.00 0.00 C ATOM 618 CE1 TYR A 39 173.372 7.231 -9.326 1.00 0.00 C ATOM 619 CE2 TYR A 39 172.585 9.350 -8.544 1.00 0.00 C ATOM 620 CZ TYR A 39 173.232 8.155 -8.312 1.00 0.00 C ATOM 621 OH TYR A 39 173.741 7.884 -7.062 1.00 0.00 O ATOM 0 H TYR A 39 171.275 10.691 -13.980 1.00 0.00 H new ATOM 0 HA TYR A 39 173.598 9.734 -12.727 1.00 0.00 H new ATOM 0 HB2 TYR A 39 170.942 9.839 -12.133 1.00 0.00 H new ATOM 0 HB3 TYR A 39 171.077 8.145 -12.561 1.00 0.00 H new ATOM 0 HD1 TYR A 39 172.973 6.782 -11.371 1.00 0.00 H new ATOM 0 HD2 TYR A 39 171.566 10.557 -9.974 1.00 0.00 H new ATOM 0 HE1 TYR A 39 173.879 6.296 -9.142 1.00 0.00 H new ATOM 0 HE2 TYR A 39 172.478 10.072 -7.748 1.00 0.00 H new ATOM 0 HH TYR A 39 173.558 8.638 -6.464 1.00 0.00 H new ATOM 631 N CYS A 40 172.331 7.769 -15.054 1.00 0.00 N ATOM 632 CA CYS A 40 172.611 6.597 -15.883 1.00 0.00 C ATOM 633 C CYS A 40 173.912 6.788 -16.660 1.00 0.00 C ATOM 634 O CYS A 40 174.687 5.846 -16.833 1.00 0.00 O ATOM 635 CB CYS A 40 171.456 6.334 -16.854 1.00 0.00 C ATOM 636 SG CYS A 40 171.172 4.584 -17.208 1.00 0.00 S ATOM 0 H CYS A 40 171.503 8.295 -15.334 1.00 0.00 H new ATOM 0 HA CYS A 40 172.718 5.735 -15.225 1.00 0.00 H new ATOM 0 HB2 CYS A 40 170.543 6.763 -16.440 1.00 0.00 H new ATOM 0 HB3 CYS A 40 171.657 6.855 -17.790 1.00 0.00 H new ATOM 0 HG CYS A 40 170.176 4.465 -18.035 1.00 0.00 H new ATOM 642 N ASP A 41 174.144 8.019 -17.122 1.00 0.00 N ATOM 643 CA ASP A 41 175.352 8.345 -17.876 1.00 0.00 C ATOM 644 C ASP A 41 176.591 8.254 -16.987 1.00 0.00 C ATOM 645 O ASP A 41 177.629 7.742 -17.408 1.00 0.00 O ATOM 646 CB ASP A 41 175.244 9.750 -18.478 1.00 0.00 C ATOM 647 CG ASP A 41 176.083 9.910 -19.731 1.00 0.00 C ATOM 648 OD1 ASP A 41 177.319 10.036 -19.607 1.00 0.00 O ATOM 649 OD2 ASP A 41 175.503 9.908 -20.837 1.00 0.00 O ATOM 0 H ASP A 41 173.509 8.806 -16.986 1.00 0.00 H new ATOM 0 HA ASP A 41 175.451 7.619 -18.683 1.00 0.00 H new ATOM 0 HB2 ASP A 41 174.201 9.962 -18.713 1.00 0.00 H new ATOM 0 HB3 ASP A 41 175.559 10.485 -17.737 1.00 0.00 H new ATOM 654 N ILE A 42 176.474 8.752 -15.754 1.00 0.00 N ATOM 655 CA ILE A 42 177.585 8.726 -14.804 1.00 0.00 C ATOM 656 C ILE A 42 177.756 7.337 -14.190 1.00 0.00 C ATOM 657 O ILE A 42 178.843 6.758 -14.241 1.00 0.00 O ATOM 658 CB ILE A 42 177.390 9.755 -13.667 1.00 0.00 C ATOM 659 CG1 ILE A 42 177.079 11.142 -14.237 1.00 0.00 C ATOM 660 CG2 ILE A 42 178.631 9.811 -12.785 1.00 0.00 C ATOM 661 CD1 ILE A 42 176.344 12.041 -13.266 1.00 0.00 C ATOM 0 H ILE A 42 175.621 9.178 -15.391 1.00 0.00 H new ATOM 0 HA ILE A 42 178.481 8.987 -15.368 1.00 0.00 H new ATOM 0 HB ILE A 42 176.543 9.437 -13.060 1.00 0.00 H new ATOM 0 HG12 ILE A 42 178.012 11.623 -14.531 1.00 0.00 H new ATOM 0 HG13 ILE A 42 176.480 11.029 -15.141 1.00 0.00 H new ATOM 0 HG21 ILE A 42 178.479 10.540 -11.989 1.00 0.00 H new ATOM 0 HG22 ILE A 42 178.812 8.829 -12.348 1.00 0.00 H new ATOM 0 HG23 ILE A 42 179.492 10.105 -13.386 1.00 0.00 H new ATOM 0 HD11 ILE A 42 176.156 13.007 -13.735 1.00 0.00 H new ATOM 0 HD12 ILE A 42 175.395 11.581 -12.991 1.00 0.00 H new ATOM 0 HD13 ILE A 42 176.951 12.184 -12.372 1.00 0.00 H new ATOM 673 N ILE A 43 176.680 6.812 -13.604 1.00 0.00 N ATOM 674 CA ILE A 43 176.710 5.496 -12.974 1.00 0.00 C ATOM 675 C ILE A 43 176.087 4.437 -13.883 1.00 0.00 C ATOM 676 O ILE A 43 174.864 4.369 -14.022 1.00 0.00 O ATOM 677 CB ILE A 43 175.967 5.500 -11.618 1.00 0.00 C ATOM 678 CG1 ILE A 43 176.443 6.668 -10.746 1.00 0.00 C ATOM 679 CG2 ILE A 43 176.166 4.175 -10.893 1.00 0.00 C ATOM 680 CD1 ILE A 43 177.912 6.599 -10.381 1.00 0.00 C ATOM 0 H ILE A 43 175.776 7.281 -13.553 1.00 0.00 H new ATOM 0 HA ILE A 43 177.758 5.252 -12.802 1.00 0.00 H new ATOM 0 HB ILE A 43 174.902 5.628 -11.812 1.00 0.00 H new ATOM 0 HG12 ILE A 43 176.252 7.603 -11.272 1.00 0.00 H new ATOM 0 HG13 ILE A 43 175.851 6.691 -9.831 1.00 0.00 H new ATOM 0 HG21 ILE A 43 175.635 4.198 -9.941 1.00 0.00 H new ATOM 0 HG22 ILE A 43 175.776 3.363 -11.506 1.00 0.00 H new ATOM 0 HG23 ILE A 43 177.229 4.015 -10.712 1.00 0.00 H new ATOM 0 HD11 ILE A 43 178.174 7.458 -9.764 1.00 0.00 H new ATOM 0 HD12 ILE A 43 178.106 5.681 -9.826 1.00 0.00 H new ATOM 0 HD13 ILE A 43 178.514 6.608 -11.290 1.00 0.00 H new ATOM 692 N LYS A 44 176.936 3.612 -14.497 1.00 0.00 N ATOM 693 CA LYS A 44 176.467 2.551 -15.391 1.00 0.00 C ATOM 694 C LYS A 44 175.692 1.475 -14.626 1.00 0.00 C ATOM 695 O LYS A 44 174.827 0.806 -15.194 1.00 0.00 O ATOM 696 CB LYS A 44 177.645 1.914 -16.137 1.00 0.00 C ATOM 697 CG LYS A 44 178.687 1.282 -15.224 1.00 0.00 C ATOM 698 CD LYS A 44 179.447 0.171 -15.931 1.00 0.00 C ATOM 699 CE LYS A 44 180.753 0.677 -16.525 1.00 0.00 C ATOM 700 NZ LYS A 44 181.692 -0.437 -16.844 1.00 0.00 N ATOM 0 H LYS A 44 177.950 3.657 -14.392 1.00 0.00 H new ATOM 0 HA LYS A 44 175.791 3.008 -16.114 1.00 0.00 H new ATOM 0 HB2 LYS A 44 177.262 1.152 -16.817 1.00 0.00 H new ATOM 0 HB3 LYS A 44 178.128 2.675 -16.750 1.00 0.00 H new ATOM 0 HG2 LYS A 44 179.388 2.046 -14.886 1.00 0.00 H new ATOM 0 HG3 LYS A 44 178.199 0.882 -14.335 1.00 0.00 H new ATOM 0 HD2 LYS A 44 179.655 -0.634 -15.226 1.00 0.00 H new ATOM 0 HD3 LYS A 44 178.826 -0.250 -16.722 1.00 0.00 H new ATOM 0 HE2 LYS A 44 180.543 1.244 -17.432 1.00 0.00 H new ATOM 0 HE3 LYS A 44 181.229 1.362 -15.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 182.569 -0.048 -17.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 181.914 -0.964 -15.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 181.249 -1.078 -17.533 1.00 0.00 H new ATOM 714 N HIS A 45 176.007 1.310 -13.340 1.00 0.00 N ATOM 715 CA HIS A 45 175.340 0.316 -12.504 1.00 0.00 C ATOM 716 C HIS A 45 174.802 0.957 -11.221 1.00 0.00 C ATOM 717 O HIS A 45 175.344 0.742 -10.135 1.00 0.00 O ATOM 718 CB HIS A 45 176.310 -0.820 -12.161 1.00 0.00 C ATOM 719 CG HIS A 45 176.184 -2.021 -13.051 1.00 0.00 C ATOM 720 ND1 HIS A 45 175.531 -1.999 -14.267 1.00 0.00 N ATOM 721 CD2 HIS A 45 176.637 -3.288 -12.895 1.00 0.00 C ATOM 722 CE1 HIS A 45 175.586 -3.199 -14.817 1.00 0.00 C ATOM 723 NE2 HIS A 45 176.252 -3.999 -14.005 1.00 0.00 N ATOM 0 H HIS A 45 176.721 1.854 -12.856 1.00 0.00 H new ATOM 0 HA HIS A 45 174.497 -0.093 -13.062 1.00 0.00 H new ATOM 0 HB2 HIS A 45 177.331 -0.442 -12.220 1.00 0.00 H new ATOM 0 HB3 HIS A 45 176.143 -1.127 -11.128 1.00 0.00 H new ATOM 0 HD1 HIS A 45 175.077 -1.183 -14.677 1.00 0.00 H new ATOM 0 HD2 HIS A 45 177.197 -3.668 -12.054 1.00 0.00 H new ATOM 0 HE1 HIS A 45 175.159 -3.478 -15.769 1.00 0.00 H new ATOM 732 N PRO A 46 173.724 1.760 -11.334 1.00 0.00 N ATOM 733 CA PRO A 46 173.112 2.441 -10.182 1.00 0.00 C ATOM 734 C PRO A 46 172.661 1.465 -9.099 1.00 0.00 C ATOM 735 O PRO A 46 171.999 0.466 -9.387 1.00 0.00 O ATOM 736 CB PRO A 46 171.900 3.159 -10.786 1.00 0.00 C ATOM 737 CG PRO A 46 172.211 3.285 -12.236 1.00 0.00 C ATOM 738 CD PRO A 46 173.021 2.072 -12.591 1.00 0.00 C ATOM 0 HA PRO A 46 173.819 3.109 -9.690 1.00 0.00 H new ATOM 0 HB2 PRO A 46 170.984 2.590 -10.627 1.00 0.00 H new ATOM 0 HB3 PRO A 46 171.751 4.137 -10.328 1.00 0.00 H new ATOM 0 HG2 PRO A 46 171.297 3.331 -12.829 1.00 0.00 H new ATOM 0 HG3 PRO A 46 172.769 4.200 -12.438 1.00 0.00 H new ATOM 0 HD2 PRO A 46 172.388 1.246 -12.915 1.00 0.00 H new ATOM 0 HD3 PRO A 46 173.719 2.277 -13.403 1.00 0.00 H new ATOM 746 N MET A 47 173.019 1.764 -7.850 1.00 0.00 N ATOM 747 CA MET A 47 172.648 0.914 -6.723 1.00 0.00 C ATOM 748 C MET A 47 172.690 1.689 -5.408 1.00 0.00 C ATOM 749 O MET A 47 173.695 2.323 -5.081 1.00 0.00 O ATOM 750 CB MET A 47 173.572 -0.305 -6.644 1.00 0.00 C ATOM 751 CG MET A 47 172.854 -1.626 -6.877 1.00 0.00 C ATOM 752 SD MET A 47 173.777 -2.742 -7.952 1.00 0.00 S ATOM 753 CE MET A 47 172.447 -3.717 -8.653 1.00 0.00 C ATOM 0 H MET A 47 173.565 2.587 -7.595 1.00 0.00 H new ATOM 0 HA MET A 47 171.625 0.574 -6.886 1.00 0.00 H new ATOM 0 HB2 MET A 47 174.367 -0.197 -7.382 1.00 0.00 H new ATOM 0 HB3 MET A 47 174.048 -0.327 -5.664 1.00 0.00 H new ATOM 0 HG2 MET A 47 172.680 -2.114 -5.918 1.00 0.00 H new ATOM 0 HG3 MET A 47 171.876 -1.430 -7.317 1.00 0.00 H new ATOM 0 HE1 MET A 47 172.860 -4.454 -9.341 1.00 0.00 H new ATOM 0 HE2 MET A 47 171.910 -4.228 -7.854 1.00 0.00 H new ATOM 0 HE3 MET A 47 171.761 -3.063 -9.191 1.00 0.00 H new ATOM 763 N ASP A 48 171.590 1.630 -4.657 1.00 0.00 N ATOM 764 CA ASP A 48 171.495 2.321 -3.372 1.00 0.00 C ATOM 765 C ASP A 48 171.159 1.343 -2.251 1.00 0.00 C ATOM 766 O ASP A 48 170.824 0.185 -2.507 1.00 0.00 O ATOM 767 CB ASP A 48 170.429 3.421 -3.438 1.00 0.00 C ATOM 768 CG ASP A 48 171.034 4.802 -3.614 1.00 0.00 C ATOM 769 OD1 ASP A 48 171.479 5.115 -4.737 1.00 0.00 O ATOM 770 OD2 ASP A 48 171.066 5.569 -2.629 1.00 0.00 O ATOM 0 H ASP A 48 170.752 1.110 -4.917 1.00 0.00 H new ATOM 0 HA ASP A 48 172.464 2.773 -3.159 1.00 0.00 H new ATOM 0 HB2 ASP A 48 169.750 3.216 -4.266 1.00 0.00 H new ATOM 0 HB3 ASP A 48 169.834 3.402 -2.525 1.00 0.00 H new ATOM 775 N MET A 49 171.232 1.820 -1.006 1.00 0.00 N ATOM 776 CA MET A 49 170.916 0.986 0.155 1.00 0.00 C ATOM 777 C MET A 49 169.509 0.404 0.019 1.00 0.00 C ATOM 778 O MET A 49 169.259 -0.742 0.397 1.00 0.00 O ATOM 779 CB MET A 49 171.029 1.799 1.448 1.00 0.00 C ATOM 780 CG MET A 49 170.848 0.972 2.713 1.00 0.00 C ATOM 781 SD MET A 49 170.147 1.925 4.074 1.00 0.00 S ATOM 782 CE MET A 49 171.376 3.215 4.252 1.00 0.00 C ATOM 0 H MET A 49 171.506 2.775 -0.777 1.00 0.00 H new ATOM 0 HA MET A 49 171.634 0.167 0.198 1.00 0.00 H new ATOM 0 HB2 MET A 49 172.006 2.282 1.478 1.00 0.00 H new ATOM 0 HB3 MET A 49 170.281 2.592 1.434 1.00 0.00 H new ATOM 0 HG2 MET A 49 170.199 0.123 2.497 1.00 0.00 H new ATOM 0 HG3 MET A 49 171.813 0.566 3.018 1.00 0.00 H new ATOM 0 HE1 MET A 49 171.280 3.676 5.235 1.00 0.00 H new ATOM 0 HE2 MET A 49 172.372 2.785 4.148 1.00 0.00 H new ATOM 0 HE3 MET A 49 171.225 3.971 3.481 1.00 0.00 H new ATOM 792 N SER A 50 168.601 1.206 -0.543 1.00 0.00 N ATOM 793 CA SER A 50 167.219 0.788 -0.759 1.00 0.00 C ATOM 794 C SER A 50 167.159 -0.408 -1.710 1.00 0.00 C ATOM 795 O SER A 50 166.359 -1.325 -1.516 1.00 0.00 O ATOM 796 CB SER A 50 166.404 1.956 -1.328 1.00 0.00 C ATOM 797 OG SER A 50 165.113 1.536 -1.742 1.00 0.00 O ATOM 0 H SER A 50 168.803 2.155 -0.858 1.00 0.00 H new ATOM 0 HA SER A 50 166.793 0.487 0.198 1.00 0.00 H new ATOM 0 HB2 SER A 50 166.309 2.737 -0.573 1.00 0.00 H new ATOM 0 HB3 SER A 50 166.934 2.393 -2.174 1.00 0.00 H new ATOM 0 HG SER A 50 164.876 1.986 -2.580 1.00 0.00 H new ATOM 803 N THR A 51 168.013 -0.393 -2.735 1.00 0.00 N ATOM 804 CA THR A 51 168.061 -1.477 -3.713 1.00 0.00 C ATOM 805 C THR A 51 168.707 -2.728 -3.117 1.00 0.00 C ATOM 806 O THR A 51 168.296 -3.848 -3.421 1.00 0.00 O ATOM 807 CB THR A 51 168.824 -1.043 -4.971 1.00 0.00 C ATOM 808 OG1 THR A 51 168.590 0.326 -5.264 1.00 0.00 O ATOM 809 CG2 THR A 51 168.446 -1.846 -6.197 1.00 0.00 C ATOM 0 H THR A 51 168.680 0.359 -2.908 1.00 0.00 H new ATOM 0 HA THR A 51 167.034 -1.716 -3.990 1.00 0.00 H new ATOM 0 HB THR A 51 169.876 -1.217 -4.745 1.00 0.00 H new ATOM 0 HG1 THR A 51 169.089 0.578 -6.069 1.00 0.00 H new ATOM 0 HG21 THR A 51 169.019 -1.492 -7.054 1.00 0.00 H new ATOM 0 HG22 THR A 51 168.665 -2.900 -6.024 1.00 0.00 H new ATOM 0 HG23 THR A 51 167.381 -1.725 -6.397 1.00 0.00 H new ATOM 817 N ILE A 52 169.715 -2.534 -2.267 1.00 0.00 N ATOM 818 CA ILE A 52 170.404 -3.655 -1.634 1.00 0.00 C ATOM 819 C ILE A 52 169.474 -4.398 -0.675 1.00 0.00 C ATOM 820 O ILE A 52 169.427 -5.628 -0.674 1.00 0.00 O ATOM 821 CB ILE A 52 171.664 -3.195 -0.866 1.00 0.00 C ATOM 822 CG1 ILE A 52 172.593 -2.393 -1.784 1.00 0.00 C ATOM 823 CG2 ILE A 52 172.399 -4.396 -0.286 1.00 0.00 C ATOM 824 CD1 ILE A 52 173.510 -1.447 -1.039 1.00 0.00 C ATOM 0 H ILE A 52 170.070 -1.615 -2.003 1.00 0.00 H new ATOM 0 HA ILE A 52 170.711 -4.327 -2.435 1.00 0.00 H new ATOM 0 HB ILE A 52 171.350 -2.549 -0.046 1.00 0.00 H new ATOM 0 HG12 ILE A 52 173.197 -3.085 -2.370 1.00 0.00 H new ATOM 0 HG13 ILE A 52 171.989 -1.821 -2.489 1.00 0.00 H new ATOM 0 HG21 ILE A 52 173.284 -4.056 0.252 1.00 0.00 H new ATOM 0 HG22 ILE A 52 171.740 -4.929 0.399 1.00 0.00 H new ATOM 0 HG23 ILE A 52 172.699 -5.063 -1.094 1.00 0.00 H new ATOM 0 HD11 ILE A 52 174.139 -0.913 -1.752 1.00 0.00 H new ATOM 0 HD12 ILE A 52 172.913 -0.731 -0.474 1.00 0.00 H new ATOM 0 HD13 ILE A 52 174.140 -2.015 -0.354 1.00 0.00 H new ATOM 836 N LYS A 53 168.730 -3.645 0.136 1.00 0.00 N ATOM 837 CA LYS A 53 167.800 -4.244 1.091 1.00 0.00 C ATOM 838 C LYS A 53 166.657 -4.959 0.373 1.00 0.00 C ATOM 839 O LYS A 53 166.183 -5.993 0.839 1.00 0.00 O ATOM 840 CB LYS A 53 167.237 -3.181 2.038 1.00 0.00 C ATOM 841 CG LYS A 53 168.027 -3.038 3.329 1.00 0.00 C ATOM 842 CD LYS A 53 167.151 -2.548 4.472 1.00 0.00 C ATOM 843 CE LYS A 53 166.696 -3.697 5.362 1.00 0.00 C ATOM 844 NZ LYS A 53 165.231 -3.955 5.250 1.00 0.00 N ATOM 0 H LYS A 53 168.753 -2.625 0.150 1.00 0.00 H new ATOM 0 HA LYS A 53 168.354 -4.979 1.675 1.00 0.00 H new ATOM 0 HB2 LYS A 53 167.220 -2.220 1.524 1.00 0.00 H new ATOM 0 HB3 LYS A 53 166.204 -3.432 2.279 1.00 0.00 H new ATOM 0 HG2 LYS A 53 168.468 -3.999 3.594 1.00 0.00 H new ATOM 0 HG3 LYS A 53 168.851 -2.340 3.177 1.00 0.00 H new ATOM 0 HD2 LYS A 53 167.703 -1.822 5.068 1.00 0.00 H new ATOM 0 HD3 LYS A 53 166.280 -2.033 4.068 1.00 0.00 H new ATOM 0 HE2 LYS A 53 167.243 -4.600 5.093 1.00 0.00 H new ATOM 0 HE3 LYS A 53 166.944 -3.471 6.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 164.969 -4.745 5.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 164.706 -3.103 5.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 164.995 -4.197 4.266 1.00 0.00 H new ATOM 858 N SER A 54 166.219 -4.407 -0.763 1.00 0.00 N ATOM 859 CA SER A 54 165.131 -5.003 -1.536 1.00 0.00 C ATOM 860 C SER A 54 165.462 -6.442 -1.935 1.00 0.00 C ATOM 861 O SER A 54 164.602 -7.323 -1.868 1.00 0.00 O ATOM 862 CB SER A 54 164.835 -4.159 -2.782 1.00 0.00 C ATOM 863 OG SER A 54 165.676 -4.515 -3.870 1.00 0.00 O ATOM 0 H SER A 54 166.601 -3.551 -1.165 1.00 0.00 H new ATOM 0 HA SER A 54 164.242 -5.023 -0.906 1.00 0.00 H new ATOM 0 HB2 SER A 54 163.792 -4.289 -3.070 1.00 0.00 H new ATOM 0 HB3 SER A 54 164.971 -3.103 -2.547 1.00 0.00 H new ATOM 0 HG SER A 54 166.580 -4.173 -3.710 1.00 0.00 H new ATOM 869 N LYS A 55 166.714 -6.679 -2.336 1.00 0.00 N ATOM 870 CA LYS A 55 167.152 -8.014 -2.726 1.00 0.00 C ATOM 871 C LYS A 55 167.029 -8.970 -1.541 1.00 0.00 C ATOM 872 O LYS A 55 166.500 -10.072 -1.673 1.00 0.00 O ATOM 873 CB LYS A 55 168.599 -7.980 -3.231 1.00 0.00 C ATOM 874 CG LYS A 55 168.888 -6.858 -4.220 1.00 0.00 C ATOM 875 CD LYS A 55 169.133 -7.395 -5.621 1.00 0.00 C ATOM 876 CE LYS A 55 168.028 -6.978 -6.580 1.00 0.00 C ATOM 877 NZ LYS A 55 168.361 -5.723 -7.312 1.00 0.00 N ATOM 0 H LYS A 55 167.438 -5.963 -2.398 1.00 0.00 H new ATOM 0 HA LYS A 55 166.513 -8.368 -3.536 1.00 0.00 H new ATOM 0 HB2 LYS A 55 169.268 -7.878 -2.377 1.00 0.00 H new ATOM 0 HB3 LYS A 55 168.830 -8.935 -3.704 1.00 0.00 H new ATOM 0 HG2 LYS A 55 168.048 -6.163 -4.238 1.00 0.00 H new ATOM 0 HG3 LYS A 55 169.760 -6.295 -3.888 1.00 0.00 H new ATOM 0 HD2 LYS A 55 170.092 -7.030 -5.989 1.00 0.00 H new ATOM 0 HD3 LYS A 55 169.197 -8.483 -5.589 1.00 0.00 H new ATOM 0 HE2 LYS A 55 167.851 -7.779 -7.298 1.00 0.00 H new ATOM 0 HE3 LYS A 55 167.101 -6.837 -6.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 167.535 -5.413 -7.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 168.620 -4.982 -6.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 169.160 -5.897 -7.954 1.00 0.00 H new ATOM 891 N LEU A 56 167.507 -8.524 -0.379 1.00 0.00 N ATOM 892 CA LEU A 56 167.441 -9.322 0.843 1.00 0.00 C ATOM 893 C LEU A 56 165.986 -9.509 1.293 1.00 0.00 C ATOM 894 O LEU A 56 165.624 -10.561 1.821 1.00 0.00 O ATOM 895 CB LEU A 56 168.271 -8.646 1.947 1.00 0.00 C ATOM 896 CG LEU A 56 167.926 -9.038 3.390 1.00 0.00 C ATOM 897 CD1 LEU A 56 168.239 -10.506 3.644 1.00 0.00 C ATOM 898 CD2 LEU A 56 168.685 -8.155 4.370 1.00 0.00 C ATOM 0 H LEU A 56 167.945 -7.611 -0.260 1.00 0.00 H new ATOM 0 HA LEU A 56 167.856 -10.310 0.643 1.00 0.00 H new ATOM 0 HB2 LEU A 56 169.323 -8.873 1.772 1.00 0.00 H new ATOM 0 HB3 LEU A 56 168.157 -7.566 1.849 1.00 0.00 H new ATOM 0 HG LEU A 56 166.856 -8.890 3.539 1.00 0.00 H new ATOM 0 HD11 LEU A 56 167.986 -10.759 4.674 1.00 0.00 H new ATOM 0 HD12 LEU A 56 167.655 -11.126 2.964 1.00 0.00 H new ATOM 0 HD13 LEU A 56 169.301 -10.686 3.477 1.00 0.00 H new ATOM 0 HD21 LEU A 56 168.432 -8.443 5.390 1.00 0.00 H new ATOM 0 HD22 LEU A 56 169.757 -8.276 4.214 1.00 0.00 H new ATOM 0 HD23 LEU A 56 168.411 -7.113 4.208 1.00 0.00 H new ATOM 910 N GLU A 57 165.156 -8.483 1.071 1.00 0.00 N ATOM 911 CA GLU A 57 163.739 -8.533 1.445 1.00 0.00 C ATOM 912 C GLU A 57 163.012 -9.668 0.725 1.00 0.00 C ATOM 913 O GLU A 57 162.191 -10.364 1.323 1.00 0.00 O ATOM 914 CB GLU A 57 163.051 -7.202 1.129 1.00 0.00 C ATOM 915 CG GLU A 57 163.496 -6.058 2.026 1.00 0.00 C ATOM 916 CD GLU A 57 162.332 -5.307 2.646 1.00 0.00 C ATOM 917 OE1 GLU A 57 161.394 -4.944 1.906 1.00 0.00 O ATOM 918 OE2 GLU A 57 162.363 -5.079 3.874 1.00 0.00 O ATOM 0 H GLU A 57 165.442 -7.607 0.634 1.00 0.00 H new ATOM 0 HA GLU A 57 163.692 -8.718 2.518 1.00 0.00 H new ATOM 0 HB2 GLU A 57 163.251 -6.937 0.091 1.00 0.00 H new ATOM 0 HB3 GLU A 57 161.973 -7.329 1.224 1.00 0.00 H new ATOM 0 HG2 GLU A 57 164.132 -6.451 2.819 1.00 0.00 H new ATOM 0 HG3 GLU A 57 164.103 -5.363 1.446 1.00 0.00 H new ATOM 925 N ALA A 58 163.316 -9.850 -0.561 1.00 0.00 N ATOM 926 CA ALA A 58 162.685 -10.903 -1.358 1.00 0.00 C ATOM 927 C ALA A 58 163.481 -12.215 -1.312 1.00 0.00 C ATOM 928 O ALA A 58 163.260 -13.106 -2.133 1.00 0.00 O ATOM 929 CB ALA A 58 162.511 -10.440 -2.799 1.00 0.00 C ATOM 0 H ALA A 58 163.993 -9.284 -1.072 1.00 0.00 H new ATOM 0 HA ALA A 58 161.706 -11.101 -0.923 1.00 0.00 H new ATOM 0 HB1 ALA A 58 162.041 -11.232 -3.381 1.00 0.00 H new ATOM 0 HB2 ALA A 58 161.882 -9.550 -2.822 1.00 0.00 H new ATOM 0 HB3 ALA A 58 163.486 -10.206 -3.226 1.00 0.00 H new ATOM 935 N ARG A 59 164.407 -12.329 -0.352 1.00 0.00 N ATOM 936 CA ARG A 59 165.234 -13.529 -0.207 1.00 0.00 C ATOM 937 C ARG A 59 166.053 -13.803 -1.473 1.00 0.00 C ATOM 938 O ARG A 59 166.409 -14.948 -1.755 1.00 0.00 O ATOM 939 CB ARG A 59 164.368 -14.749 0.138 1.00 0.00 C ATOM 940 CG ARG A 59 164.745 -15.400 1.462 1.00 0.00 C ATOM 941 CD ARG A 59 163.668 -16.359 1.952 1.00 0.00 C ATOM 942 NE ARG A 59 164.089 -17.758 1.855 1.00 0.00 N ATOM 943 CZ ARG A 59 164.922 -18.353 2.717 1.00 0.00 C ATOM 944 NH1 ARG A 59 165.446 -17.673 3.735 1.00 0.00 N ATOM 945 NH2 ARG A 59 165.237 -19.634 2.556 1.00 0.00 N ATOM 0 H ARG A 59 164.601 -11.602 0.336 1.00 0.00 H new ATOM 0 HA ARG A 59 165.930 -13.349 0.613 1.00 0.00 H new ATOM 0 HB2 ARG A 59 163.322 -14.445 0.176 1.00 0.00 H new ATOM 0 HB3 ARG A 59 164.457 -15.486 -0.660 1.00 0.00 H new ATOM 0 HG2 ARG A 59 165.685 -15.939 1.346 1.00 0.00 H new ATOM 0 HG3 ARG A 59 164.911 -14.627 2.212 1.00 0.00 H new ATOM 0 HD2 ARG A 59 163.421 -16.127 2.988 1.00 0.00 H new ATOM 0 HD3 ARG A 59 162.760 -16.213 1.367 1.00 0.00 H new ATOM 0 HE ARG A 59 163.724 -18.314 1.082 1.00 0.00 H new ATOM 0 HH11 ARG A 59 165.214 -16.688 3.864 1.00 0.00 H new ATOM 0 HH12 ARG A 59 166.080 -18.137 4.386 1.00 0.00 H new ATOM 0 HH21 ARG A 59 164.844 -20.162 1.777 1.00 0.00 H new ATOM 0 HH22 ARG A 59 165.872 -20.089 3.212 1.00 0.00 H new ATOM 959 N GLU A 60 166.365 -12.743 -2.224 1.00 0.00 N ATOM 960 CA GLU A 60 167.154 -12.874 -3.447 1.00 0.00 C ATOM 961 C GLU A 60 168.620 -13.154 -3.118 1.00 0.00 C ATOM 962 O GLU A 60 169.306 -13.861 -3.858 1.00 0.00 O ATOM 963 CB GLU A 60 167.043 -11.607 -4.302 1.00 0.00 C ATOM 964 CG GLU A 60 165.614 -11.241 -4.678 1.00 0.00 C ATOM 965 CD GLU A 60 165.543 -10.231 -5.808 1.00 0.00 C ATOM 966 OE1 GLU A 60 166.111 -9.129 -5.658 1.00 0.00 O ATOM 967 OE2 GLU A 60 164.918 -10.542 -6.844 1.00 0.00 O ATOM 0 H GLU A 60 166.083 -11.788 -2.005 1.00 0.00 H new ATOM 0 HA GLU A 60 166.756 -13.715 -4.014 1.00 0.00 H new ATOM 0 HB2 GLU A 60 167.491 -10.774 -3.760 1.00 0.00 H new ATOM 0 HB3 GLU A 60 167.625 -11.743 -5.214 1.00 0.00 H new ATOM 0 HG2 GLU A 60 165.077 -12.144 -4.970 1.00 0.00 H new ATOM 0 HG3 GLU A 60 165.105 -10.837 -3.803 1.00 0.00 H new ATOM 974 N TYR A 61 169.092 -12.600 -1.999 1.00 0.00 N ATOM 975 CA TYR A 61 170.472 -12.795 -1.565 1.00 0.00 C ATOM 976 C TYR A 61 170.702 -14.237 -1.124 1.00 0.00 C ATOM 977 O TYR A 61 170.284 -14.641 -0.037 1.00 0.00 O ATOM 978 CB TYR A 61 170.813 -11.831 -0.425 1.00 0.00 C ATOM 979 CG TYR A 61 171.407 -10.522 -0.900 1.00 0.00 C ATOM 980 CD1 TYR A 61 172.530 -10.508 -1.718 1.00 0.00 C ATOM 981 CD2 TYR A 61 170.846 -9.303 -0.532 1.00 0.00 C ATOM 982 CE1 TYR A 61 173.078 -9.319 -2.157 1.00 0.00 C ATOM 983 CE2 TYR A 61 171.391 -8.111 -0.968 1.00 0.00 C ATOM 984 CZ TYR A 61 172.505 -8.125 -1.779 1.00 0.00 C ATOM 985 OH TYR A 61 173.050 -6.939 -2.212 1.00 0.00 O ATOM 0 H TYR A 61 168.536 -12.012 -1.378 1.00 0.00 H new ATOM 0 HA TYR A 61 171.128 -12.586 -2.410 1.00 0.00 H new ATOM 0 HB2 TYR A 61 169.909 -11.624 0.148 1.00 0.00 H new ATOM 0 HB3 TYR A 61 171.516 -12.316 0.252 1.00 0.00 H new ATOM 0 HD1 TYR A 61 172.982 -11.443 -2.015 1.00 0.00 H new ATOM 0 HD2 TYR A 61 169.973 -9.289 0.103 1.00 0.00 H new ATOM 0 HE1 TYR A 61 173.951 -9.325 -2.793 1.00 0.00 H new ATOM 0 HE2 TYR A 61 170.946 -7.172 -0.674 1.00 0.00 H new ATOM 0 HH TYR A 61 172.374 -6.430 -2.707 1.00 0.00 H new ATOM 995 N ARG A 62 171.367 -15.010 -1.983 1.00 0.00 N ATOM 996 CA ARG A 62 171.657 -16.412 -1.696 1.00 0.00 C ATOM 997 C ARG A 62 172.567 -16.557 -0.476 1.00 0.00 C ATOM 998 O ARG A 62 172.502 -17.562 0.234 1.00 0.00 O ATOM 999 CB ARG A 62 172.311 -17.078 -2.908 1.00 0.00 C ATOM 1000 CG ARG A 62 171.318 -17.509 -3.978 1.00 0.00 C ATOM 1001 CD ARG A 62 171.888 -17.341 -5.379 1.00 0.00 C ATOM 1002 NE ARG A 62 173.171 -18.028 -5.543 1.00 0.00 N ATOM 1003 CZ ARG A 62 173.704 -18.345 -6.726 1.00 0.00 C ATOM 1004 NH1 ARG A 62 173.067 -18.049 -7.858 1.00 0.00 N ATOM 1005 NH2 ARG A 62 174.879 -18.961 -6.777 1.00 0.00 N ATOM 0 H ARG A 62 171.715 -14.686 -2.885 1.00 0.00 H new ATOM 0 HA ARG A 62 170.710 -16.906 -1.477 1.00 0.00 H new ATOM 0 HB2 ARG A 62 173.029 -16.386 -3.348 1.00 0.00 H new ATOM 0 HB3 ARG A 62 172.873 -17.950 -2.573 1.00 0.00 H new ATOM 0 HG2 ARG A 62 171.043 -18.552 -3.820 1.00 0.00 H new ATOM 0 HG3 ARG A 62 170.405 -16.921 -3.884 1.00 0.00 H new ATOM 0 HD2 ARG A 62 171.175 -17.728 -6.108 1.00 0.00 H new ATOM 0 HD3 ARG A 62 172.017 -16.280 -5.592 1.00 0.00 H new ATOM 0 HE ARG A 62 173.690 -18.280 -4.702 1.00 0.00 H new ATOM 0 HH11 ARG A 62 172.164 -17.576 -7.826 1.00 0.00 H new ATOM 0 HH12 ARG A 62 173.482 -18.295 -8.756 1.00 0.00 H new ATOM 0 HH21 ARG A 62 175.372 -19.191 -5.914 1.00 0.00 H new ATOM 0 HH22 ARG A 62 175.289 -19.204 -7.679 1.00 0.00 H new ATOM 1019 N ASP A 63 173.417 -15.554 -0.237 1.00 0.00 N ATOM 1020 CA ASP A 63 174.339 -15.584 0.899 1.00 0.00 C ATOM 1021 C ASP A 63 174.960 -14.209 1.156 1.00 0.00 C ATOM 1022 O ASP A 63 174.681 -13.243 0.439 1.00 0.00 O ATOM 1023 CB ASP A 63 175.449 -16.618 0.656 1.00 0.00 C ATOM 1024 CG ASP A 63 176.065 -16.509 -0.730 1.00 0.00 C ATOM 1025 OD1 ASP A 63 176.438 -15.386 -1.132 1.00 0.00 O ATOM 1026 OD2 ASP A 63 176.173 -17.548 -1.412 1.00 0.00 O ATOM 0 H ASP A 63 173.485 -14.715 -0.813 1.00 0.00 H new ATOM 0 HA ASP A 63 173.765 -15.867 1.782 1.00 0.00 H new ATOM 0 HB2 ASP A 63 176.229 -16.489 1.406 1.00 0.00 H new ATOM 0 HB3 ASP A 63 175.041 -17.620 0.789 1.00 0.00 H new ATOM 1031 N ALA A 64 175.813 -14.136 2.181 1.00 0.00 N ATOM 1032 CA ALA A 64 176.491 -12.891 2.536 1.00 0.00 C ATOM 1033 C ALA A 64 177.583 -12.540 1.521 1.00 0.00 C ATOM 1034 O ALA A 64 177.988 -11.381 1.416 1.00 0.00 O ATOM 1035 CB ALA A 64 177.086 -12.987 3.935 1.00 0.00 C ATOM 0 H ALA A 64 176.050 -14.927 2.780 1.00 0.00 H new ATOM 0 HA ALA A 64 175.748 -12.094 2.521 1.00 0.00 H new ATOM 0 HB1 ALA A 64 177.587 -12.051 4.182 1.00 0.00 H new ATOM 0 HB2 ALA A 64 176.291 -13.175 4.656 1.00 0.00 H new ATOM 0 HB3 ALA A 64 177.807 -13.804 3.969 1.00 0.00 H new ATOM 1041 N GLN A 65 178.053 -13.545 0.770 1.00 0.00 N ATOM 1042 CA GLN A 65 179.090 -13.332 -0.238 1.00 0.00 C ATOM 1043 C GLN A 65 178.586 -12.386 -1.326 1.00 0.00 C ATOM 1044 O GLN A 65 179.280 -11.443 -1.710 1.00 0.00 O ATOM 1045 CB GLN A 65 179.524 -14.671 -0.851 1.00 0.00 C ATOM 1046 CG GLN A 65 180.867 -14.613 -1.563 1.00 0.00 C ATOM 1047 CD GLN A 65 182.038 -14.510 -0.601 1.00 0.00 C ATOM 1048 OE1 GLN A 65 182.597 -13.432 -0.403 1.00 0.00 O ATOM 1049 NE2 GLN A 65 182.417 -15.633 0.001 1.00 0.00 N ATOM 0 H GLN A 65 177.730 -14.510 0.844 1.00 0.00 H new ATOM 0 HA GLN A 65 179.955 -12.877 0.244 1.00 0.00 H new ATOM 0 HB2 GLN A 65 179.573 -15.422 -0.063 1.00 0.00 H new ATOM 0 HB3 GLN A 65 178.762 -15.000 -1.558 1.00 0.00 H new ATOM 0 HG2 GLN A 65 180.986 -15.505 -2.179 1.00 0.00 H new ATOM 0 HG3 GLN A 65 180.879 -13.756 -2.237 1.00 0.00 H new ATOM 0 HE21 GLN A 65 181.926 -16.506 -0.192 1.00 0.00 H new ATOM 0 HE22 GLN A 65 183.199 -15.622 0.656 1.00 0.00 H new ATOM 1058 N GLU A 66 177.363 -12.632 -1.802 1.00 0.00 N ATOM 1059 CA GLU A 66 176.750 -11.792 -2.829 1.00 0.00 C ATOM 1060 C GLU A 66 176.443 -10.396 -2.278 1.00 0.00 C ATOM 1061 O GLU A 66 176.465 -9.411 -3.018 1.00 0.00 O ATOM 1062 CB GLU A 66 175.465 -12.442 -3.352 1.00 0.00 C ATOM 1063 CG GLU A 66 175.408 -12.540 -4.871 1.00 0.00 C ATOM 1064 CD GLU A 66 174.529 -13.680 -5.367 1.00 0.00 C ATOM 1065 OE1 GLU A 66 174.411 -14.704 -4.657 1.00 0.00 O ATOM 1066 OE2 GLU A 66 173.963 -13.549 -6.472 1.00 0.00 O ATOM 0 H GLU A 66 176.778 -13.408 -1.491 1.00 0.00 H new ATOM 0 HA GLU A 66 177.457 -11.692 -3.652 1.00 0.00 H new ATOM 0 HB2 GLU A 66 175.374 -13.442 -2.928 1.00 0.00 H new ATOM 0 HB3 GLU A 66 174.608 -11.868 -3.001 1.00 0.00 H new ATOM 0 HG2 GLU A 66 175.034 -11.599 -5.275 1.00 0.00 H new ATOM 0 HG3 GLU A 66 176.418 -12.674 -5.258 1.00 0.00 H new ATOM 1073 N PHE A 67 176.165 -10.320 -0.973 1.00 0.00 N ATOM 1074 CA PHE A 67 175.862 -9.046 -0.320 1.00 0.00 C ATOM 1075 C PHE A 67 177.034 -8.079 -0.460 1.00 0.00 C ATOM 1076 O PHE A 67 176.856 -6.929 -0.865 1.00 0.00 O ATOM 1077 CB PHE A 67 175.544 -9.264 1.162 1.00 0.00 C ATOM 1078 CG PHE A 67 174.280 -8.589 1.618 1.00 0.00 C ATOM 1079 CD1 PHE A 67 174.216 -7.208 1.729 1.00 0.00 C ATOM 1080 CD2 PHE A 67 173.158 -9.335 1.940 1.00 0.00 C ATOM 1081 CE1 PHE A 67 173.057 -6.586 2.152 1.00 0.00 C ATOM 1082 CE2 PHE A 67 171.997 -8.718 2.364 1.00 0.00 C ATOM 1083 CZ PHE A 67 171.946 -7.342 2.470 1.00 0.00 C ATOM 0 H PHE A 67 176.144 -11.127 -0.349 1.00 0.00 H new ATOM 0 HA PHE A 67 174.989 -8.614 -0.809 1.00 0.00 H new ATOM 0 HB2 PHE A 67 175.462 -10.334 1.353 1.00 0.00 H new ATOM 0 HB3 PHE A 67 176.377 -8.896 1.761 1.00 0.00 H new ATOM 0 HD1 PHE A 67 175.082 -6.612 1.482 1.00 0.00 H new ATOM 0 HD2 PHE A 67 173.191 -10.411 1.859 1.00 0.00 H new ATOM 0 HE1 PHE A 67 173.020 -5.510 2.234 1.00 0.00 H new ATOM 0 HE2 PHE A 67 171.130 -9.311 2.612 1.00 0.00 H new ATOM 0 HZ PHE A 67 171.039 -6.858 2.801 1.00 0.00 H new ATOM 1093 N GLY A 68 178.232 -8.561 -0.128 1.00 0.00 N ATOM 1094 CA GLY A 68 179.425 -7.739 -0.229 1.00 0.00 C ATOM 1095 C GLY A 68 179.677 -7.252 -1.644 1.00 0.00 C ATOM 1096 O GLY A 68 180.186 -6.148 -1.841 1.00 0.00 O ATOM 0 H GLY A 68 178.396 -9.509 0.210 1.00 0.00 H new ATOM 0 HA2 GLY A 68 179.328 -6.880 0.435 1.00 0.00 H new ATOM 0 HA3 GLY A 68 180.287 -8.312 0.114 1.00 0.00 H new ATOM 1100 N ALA A 69 179.311 -8.076 -2.632 1.00 0.00 N ATOM 1101 CA ALA A 69 179.491 -7.724 -4.040 1.00 0.00 C ATOM 1102 C ALA A 69 178.727 -6.447 -4.392 1.00 0.00 C ATOM 1103 O ALA A 69 179.196 -5.637 -5.193 1.00 0.00 O ATOM 1104 CB ALA A 69 179.049 -8.873 -4.938 1.00 0.00 C ATOM 0 H ALA A 69 178.888 -8.992 -2.480 1.00 0.00 H new ATOM 0 HA ALA A 69 180.552 -7.538 -4.207 1.00 0.00 H new ATOM 0 HB1 ALA A 69 179.190 -8.594 -5.982 1.00 0.00 H new ATOM 0 HB2 ALA A 69 179.645 -9.758 -4.716 1.00 0.00 H new ATOM 0 HB3 ALA A 69 177.996 -9.090 -4.759 1.00 0.00 H new ATOM 1110 N ASP A 70 177.554 -6.271 -3.783 1.00 0.00 N ATOM 1111 CA ASP A 70 176.733 -5.087 -4.027 1.00 0.00 C ATOM 1112 C ASP A 70 177.321 -3.865 -3.325 1.00 0.00 C ATOM 1113 O ASP A 70 177.333 -2.766 -3.881 1.00 0.00 O ATOM 1114 CB ASP A 70 175.294 -5.320 -3.554 1.00 0.00 C ATOM 1115 CG ASP A 70 174.337 -5.556 -4.708 1.00 0.00 C ATOM 1116 OD1 ASP A 70 174.609 -6.454 -5.532 1.00 0.00 O ATOM 1117 OD2 ASP A 70 173.311 -4.845 -4.785 1.00 0.00 O ATOM 0 H ASP A 70 177.152 -6.933 -3.119 1.00 0.00 H new ATOM 0 HA ASP A 70 176.724 -4.901 -5.101 1.00 0.00 H new ATOM 0 HB2 ASP A 70 175.269 -6.179 -2.884 1.00 0.00 H new ATOM 0 HB3 ASP A 70 174.959 -4.457 -2.979 1.00 0.00 H new ATOM 1122 N VAL A 71 177.811 -4.065 -2.102 1.00 0.00 N ATOM 1123 CA VAL A 71 178.404 -2.980 -1.325 1.00 0.00 C ATOM 1124 C VAL A 71 179.674 -2.454 -1.995 1.00 0.00 C ATOM 1125 O VAL A 71 179.841 -1.245 -2.158 1.00 0.00 O ATOM 1126 CB VAL A 71 178.736 -3.424 0.116 1.00 0.00 C ATOM 1127 CG1 VAL A 71 179.198 -2.237 0.950 1.00 0.00 C ATOM 1128 CG2 VAL A 71 177.534 -4.103 0.761 1.00 0.00 C ATOM 0 H VAL A 71 177.808 -4.969 -1.629 1.00 0.00 H new ATOM 0 HA VAL A 71 177.662 -2.183 -1.282 1.00 0.00 H new ATOM 0 HB VAL A 71 179.551 -4.147 0.072 1.00 0.00 H new ATOM 0 HG11 VAL A 71 179.427 -2.571 1.962 1.00 0.00 H new ATOM 0 HG12 VAL A 71 180.091 -1.802 0.501 1.00 0.00 H new ATOM 0 HG13 VAL A 71 178.407 -1.487 0.985 1.00 0.00 H new ATOM 0 HG21 VAL A 71 177.790 -4.408 1.776 1.00 0.00 H new ATOM 0 HG22 VAL A 71 176.696 -3.407 0.792 1.00 0.00 H new ATOM 0 HG23 VAL A 71 177.256 -4.981 0.178 1.00 0.00 H new ATOM 1138 N ARG A 72 180.566 -3.368 -2.388 1.00 0.00 N ATOM 1139 CA ARG A 72 181.816 -2.983 -3.044 1.00 0.00 C ATOM 1140 C ARG A 72 181.543 -2.257 -4.363 1.00 0.00 C ATOM 1141 O ARG A 72 182.285 -1.351 -4.746 1.00 0.00 O ATOM 1142 CB ARG A 72 182.707 -4.209 -3.288 1.00 0.00 C ATOM 1143 CG ARG A 72 182.057 -5.292 -4.136 1.00 0.00 C ATOM 1144 CD ARG A 72 183.011 -5.817 -5.198 1.00 0.00 C ATOM 1145 NE ARG A 72 182.639 -7.154 -5.658 1.00 0.00 N ATOM 1146 CZ ARG A 72 182.862 -8.273 -4.963 1.00 0.00 C ATOM 1147 NH1 ARG A 72 183.461 -8.222 -3.775 1.00 0.00 N ATOM 1148 NH2 ARG A 72 182.483 -9.445 -5.457 1.00 0.00 N ATOM 0 H ARG A 72 180.446 -4.373 -2.264 1.00 0.00 H new ATOM 0 HA ARG A 72 182.342 -2.300 -2.378 1.00 0.00 H new ATOM 0 HB2 ARG A 72 183.627 -3.885 -3.775 1.00 0.00 H new ATOM 0 HB3 ARG A 72 182.989 -4.637 -2.326 1.00 0.00 H new ATOM 0 HG2 ARG A 72 181.736 -6.114 -3.495 1.00 0.00 H new ATOM 0 HG3 ARG A 72 181.163 -4.893 -4.614 1.00 0.00 H new ATOM 0 HD2 ARG A 72 183.021 -5.132 -6.046 1.00 0.00 H new ATOM 0 HD3 ARG A 72 184.024 -5.841 -4.795 1.00 0.00 H new ATOM 0 HE ARG A 72 182.181 -7.238 -6.566 1.00 0.00 H new ATOM 0 HH11 ARG A 72 183.753 -7.324 -3.389 1.00 0.00 H new ATOM 0 HH12 ARG A 72 183.628 -9.081 -3.251 1.00 0.00 H new ATOM 0 HH21 ARG A 72 182.022 -9.490 -6.366 1.00 0.00 H new ATOM 0 HH22 ARG A 72 182.652 -10.300 -4.928 1.00 0.00 H new ATOM 1162 N LEU A 73 180.469 -2.655 -5.049 1.00 0.00 N ATOM 1163 CA LEU A 73 180.092 -2.037 -6.317 1.00 0.00 C ATOM 1164 C LEU A 73 179.568 -0.619 -6.090 1.00 0.00 C ATOM 1165 O LEU A 73 179.972 0.319 -6.781 1.00 0.00 O ATOM 1166 CB LEU A 73 179.032 -2.888 -7.026 1.00 0.00 C ATOM 1167 CG LEU A 73 178.654 -2.430 -8.438 1.00 0.00 C ATOM 1168 CD1 LEU A 73 179.851 -2.519 -9.374 1.00 0.00 C ATOM 1169 CD2 LEU A 73 177.496 -3.264 -8.968 1.00 0.00 C ATOM 0 H LEU A 73 179.846 -3.403 -4.745 1.00 0.00 H new ATOM 0 HA LEU A 73 180.978 -1.979 -6.950 1.00 0.00 H new ATOM 0 HB2 LEU A 73 179.393 -3.915 -7.081 1.00 0.00 H new ATOM 0 HB3 LEU A 73 178.131 -2.899 -6.413 1.00 0.00 H new ATOM 0 HG LEU A 73 178.340 -1.387 -8.390 1.00 0.00 H new ATOM 0 HD11 LEU A 73 179.559 -2.189 -10.371 1.00 0.00 H new ATOM 0 HD12 LEU A 73 180.653 -1.882 -9.001 1.00 0.00 H new ATOM 0 HD13 LEU A 73 180.200 -3.551 -9.421 1.00 0.00 H new ATOM 0 HD21 LEU A 73 177.236 -2.929 -9.972 1.00 0.00 H new ATOM 0 HD22 LEU A 73 177.788 -4.314 -9.000 1.00 0.00 H new ATOM 0 HD23 LEU A 73 176.633 -3.147 -8.312 1.00 0.00 H new ATOM 1181 N MET A 74 178.672 -0.472 -5.111 1.00 0.00 N ATOM 1182 CA MET A 74 178.093 0.830 -4.780 1.00 0.00 C ATOM 1183 C MET A 74 179.177 1.819 -4.354 1.00 0.00 C ATOM 1184 O MET A 74 179.167 2.975 -4.776 1.00 0.00 O ATOM 1185 CB MET A 74 177.052 0.686 -3.665 1.00 0.00 C ATOM 1186 CG MET A 74 176.342 1.988 -3.319 1.00 0.00 C ATOM 1187 SD MET A 74 174.981 1.753 -2.160 1.00 0.00 S ATOM 1188 CE MET A 74 175.789 2.123 -0.605 1.00 0.00 C ATOM 0 H MET A 74 178.332 -1.241 -4.533 1.00 0.00 H new ATOM 0 HA MET A 74 177.605 1.216 -5.675 1.00 0.00 H new ATOM 0 HB2 MET A 74 176.310 -0.053 -3.966 1.00 0.00 H new ATOM 0 HB3 MET A 74 177.541 0.300 -2.771 1.00 0.00 H new ATOM 0 HG2 MET A 74 177.061 2.687 -2.891 1.00 0.00 H new ATOM 0 HG3 MET A 74 175.961 2.443 -4.233 1.00 0.00 H new ATOM 0 HE1 MET A 74 175.073 2.021 0.210 1.00 0.00 H new ATOM 0 HE2 MET A 74 176.616 1.430 -0.451 1.00 0.00 H new ATOM 0 HE3 MET A 74 176.170 3.144 -0.627 1.00 0.00 H new ATOM 1198 N PHE A 75 180.110 1.358 -3.518 1.00 0.00 N ATOM 1199 CA PHE A 75 181.202 2.206 -3.040 1.00 0.00 C ATOM 1200 C PHE A 75 182.022 2.753 -4.207 1.00 0.00 C ATOM 1201 O PHE A 75 182.371 3.934 -4.226 1.00 0.00 O ATOM 1202 CB PHE A 75 182.113 1.429 -2.084 1.00 0.00 C ATOM 1203 CG PHE A 75 181.823 1.690 -0.633 1.00 0.00 C ATOM 1204 CD1 PHE A 75 180.832 0.981 0.026 1.00 0.00 C ATOM 1205 CD2 PHE A 75 182.540 2.645 0.070 1.00 0.00 C ATOM 1206 CE1 PHE A 75 180.561 1.219 1.360 1.00 0.00 C ATOM 1207 CE2 PHE A 75 182.273 2.887 1.405 1.00 0.00 C ATOM 1208 CZ PHE A 75 181.283 2.173 2.050 1.00 0.00 C ATOM 0 H PHE A 75 180.131 0.403 -3.159 1.00 0.00 H new ATOM 0 HA PHE A 75 180.759 3.045 -2.503 1.00 0.00 H new ATOM 0 HB2 PHE A 75 182.007 0.362 -2.281 1.00 0.00 H new ATOM 0 HB3 PHE A 75 183.151 1.690 -2.291 1.00 0.00 H new ATOM 0 HD1 PHE A 75 180.265 0.234 -0.509 1.00 0.00 H new ATOM 0 HD2 PHE A 75 183.316 3.206 -0.430 1.00 0.00 H new ATOM 0 HE1 PHE A 75 179.786 0.660 1.862 1.00 0.00 H new ATOM 0 HE2 PHE A 75 182.838 3.634 1.943 1.00 0.00 H new ATOM 0 HZ PHE A 75 181.073 2.360 3.093 1.00 0.00 H new ATOM 1218 N SER A 76 182.321 1.889 -5.182 1.00 0.00 N ATOM 1219 CA SER A 76 183.094 2.295 -6.355 1.00 0.00 C ATOM 1220 C SER A 76 182.386 3.421 -7.106 1.00 0.00 C ATOM 1221 O SER A 76 183.011 4.411 -7.489 1.00 0.00 O ATOM 1222 CB SER A 76 183.323 1.105 -7.292 1.00 0.00 C ATOM 1223 OG SER A 76 184.511 1.277 -8.046 1.00 0.00 O ATOM 0 H SER A 76 182.040 0.908 -5.181 1.00 0.00 H new ATOM 0 HA SER A 76 184.061 2.659 -6.009 1.00 0.00 H new ATOM 0 HB2 SER A 76 183.387 0.186 -6.710 1.00 0.00 H new ATOM 0 HB3 SER A 76 182.472 0.998 -7.965 1.00 0.00 H new ATOM 0 HG SER A 76 184.639 0.505 -8.636 1.00 0.00 H new ATOM 1229 N ASN A 77 181.077 3.265 -7.307 1.00 0.00 N ATOM 1230 CA ASN A 77 180.279 4.273 -8.005 1.00 0.00 C ATOM 1231 C ASN A 77 180.121 5.528 -7.146 1.00 0.00 C ATOM 1232 O ASN A 77 180.185 6.650 -7.653 1.00 0.00 O ATOM 1233 CB ASN A 77 178.900 3.714 -8.372 1.00 0.00 C ATOM 1234 CG ASN A 77 178.983 2.427 -9.175 1.00 0.00 C ATOM 1235 OD1 ASN A 77 179.907 2.233 -9.965 1.00 0.00 O ATOM 1236 ND2 ASN A 77 178.011 1.540 -8.982 1.00 0.00 N ATOM 0 H ASN A 77 180.547 2.451 -6.996 1.00 0.00 H new ATOM 0 HA ASN A 77 180.804 4.540 -8.922 1.00 0.00 H new ATOM 0 HB2 ASN A 77 178.332 3.532 -7.460 1.00 0.00 H new ATOM 0 HB3 ASN A 77 178.351 4.461 -8.946 1.00 0.00 H new ATOM 0 HD21 ASN A 77 178.013 0.660 -9.498 1.00 0.00 H new ATOM 0 HD22 ASN A 77 177.263 1.739 -8.318 1.00 0.00 H new ATOM 1243 N CYS A 78 179.920 5.327 -5.841 1.00 0.00 N ATOM 1244 CA CYS A 78 179.758 6.436 -4.902 1.00 0.00 C ATOM 1245 C CYS A 78 180.982 7.342 -4.907 1.00 0.00 C ATOM 1246 O CYS A 78 180.855 8.563 -4.888 1.00 0.00 O ATOM 1247 CB CYS A 78 179.511 5.911 -3.483 1.00 0.00 C ATOM 1248 SG CYS A 78 177.946 6.454 -2.760 1.00 0.00 S ATOM 0 H CYS A 78 179.866 4.403 -5.412 1.00 0.00 H new ATOM 0 HA CYS A 78 178.893 7.017 -5.223 1.00 0.00 H new ATOM 0 HB2 CYS A 78 179.532 4.821 -3.501 1.00 0.00 H new ATOM 0 HB3 CYS A 78 180.329 6.235 -2.839 1.00 0.00 H new ATOM 0 HG CYS A 78 176.994 5.650 -3.131 1.00 0.00 H new ATOM 1254 N TYR A 79 182.168 6.737 -4.932 1.00 0.00 N ATOM 1255 CA TYR A 79 183.417 7.499 -4.940 1.00 0.00 C ATOM 1256 C TYR A 79 183.478 8.445 -6.140 1.00 0.00 C ATOM 1257 O TYR A 79 183.936 9.581 -6.018 1.00 0.00 O ATOM 1258 CB TYR A 79 184.624 6.555 -4.954 1.00 0.00 C ATOM 1259 CG TYR A 79 185.942 7.254 -4.699 1.00 0.00 C ATOM 1260 CD1 TYR A 79 186.178 7.921 -3.503 1.00 0.00 C ATOM 1261 CD2 TYR A 79 186.948 7.249 -5.656 1.00 0.00 C ATOM 1262 CE1 TYR A 79 187.378 8.562 -3.269 1.00 0.00 C ATOM 1263 CE2 TYR A 79 188.152 7.887 -5.429 1.00 0.00 C ATOM 1264 CZ TYR A 79 188.362 8.542 -4.235 1.00 0.00 C ATOM 1265 OH TYR A 79 189.559 9.179 -4.004 1.00 0.00 O ATOM 0 H TYR A 79 182.291 5.725 -4.947 1.00 0.00 H new ATOM 0 HA TYR A 79 183.447 8.098 -4.030 1.00 0.00 H new ATOM 0 HB2 TYR A 79 184.480 5.783 -4.198 1.00 0.00 H new ATOM 0 HB3 TYR A 79 184.670 6.052 -5.920 1.00 0.00 H new ATOM 0 HD1 TYR A 79 185.410 7.938 -2.744 1.00 0.00 H new ATOM 0 HD2 TYR A 79 186.786 6.738 -6.594 1.00 0.00 H new ATOM 0 HE1 TYR A 79 187.545 9.076 -2.334 1.00 0.00 H new ATOM 0 HE2 TYR A 79 188.925 7.873 -6.183 1.00 0.00 H new ATOM 0 HH TYR A 79 190.144 9.069 -4.783 1.00 0.00 H new ATOM 1275 N LYS A 80 183.008 7.972 -7.295 1.00 0.00 N ATOM 1276 CA LYS A 80 183.006 8.781 -8.510 1.00 0.00 C ATOM 1277 C LYS A 80 182.023 9.947 -8.390 1.00 0.00 C ATOM 1278 O LYS A 80 182.352 11.081 -8.736 1.00 0.00 O ATOM 1279 CB LYS A 80 182.652 7.916 -9.723 1.00 0.00 C ATOM 1280 CG LYS A 80 183.483 8.233 -10.954 1.00 0.00 C ATOM 1281 CD LYS A 80 183.134 7.318 -12.119 1.00 0.00 C ATOM 1282 CE LYS A 80 183.679 7.855 -13.436 1.00 0.00 C ATOM 1283 NZ LYS A 80 184.417 6.813 -14.206 1.00 0.00 N ATOM 0 H LYS A 80 182.625 7.034 -7.413 1.00 0.00 H new ATOM 0 HA LYS A 80 184.007 9.190 -8.646 1.00 0.00 H new ATOM 0 HB2 LYS A 80 182.787 6.866 -9.463 1.00 0.00 H new ATOM 0 HB3 LYS A 80 181.597 8.052 -9.961 1.00 0.00 H new ATOM 0 HG2 LYS A 80 183.321 9.271 -11.245 1.00 0.00 H new ATOM 0 HG3 LYS A 80 184.542 8.130 -10.715 1.00 0.00 H new ATOM 0 HD2 LYS A 80 183.540 6.323 -11.935 1.00 0.00 H new ATOM 0 HD3 LYS A 80 182.051 7.213 -12.188 1.00 0.00 H new ATOM 0 HE2 LYS A 80 182.855 8.236 -14.040 1.00 0.00 H new ATOM 0 HE3 LYS A 80 184.343 8.696 -13.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 184.770 7.223 -15.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 185.219 6.467 -13.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 183.777 6.021 -14.420 1.00 0.00 H new ATOM 1297 N TYR A 81 180.817 9.659 -7.899 1.00 0.00 N ATOM 1298 CA TYR A 81 179.785 10.685 -7.733 1.00 0.00 C ATOM 1299 C TYR A 81 180.121 11.626 -6.571 1.00 0.00 C ATOM 1300 O TYR A 81 179.907 12.836 -6.663 1.00 0.00 O ATOM 1301 CB TYR A 81 178.419 10.029 -7.502 1.00 0.00 C ATOM 1302 CG TYR A 81 177.243 10.953 -7.737 1.00 0.00 C ATOM 1303 CD1 TYR A 81 176.929 11.958 -6.829 1.00 0.00 C ATOM 1304 CD2 TYR A 81 176.442 10.815 -8.865 1.00 0.00 C ATOM 1305 CE1 TYR A 81 175.852 12.798 -7.039 1.00 0.00 C ATOM 1306 CE2 TYR A 81 175.365 11.653 -9.082 1.00 0.00 C ATOM 1307 CZ TYR A 81 175.074 12.642 -8.166 1.00 0.00 C ATOM 1308 OH TYR A 81 173.999 13.475 -8.376 1.00 0.00 O ATOM 0 H TYR A 81 180.530 8.724 -7.609 1.00 0.00 H new ATOM 0 HA TYR A 81 179.747 11.277 -8.648 1.00 0.00 H new ATOM 0 HB2 TYR A 81 178.326 9.166 -8.161 1.00 0.00 H new ATOM 0 HB3 TYR A 81 178.375 9.656 -6.479 1.00 0.00 H new ATOM 0 HD1 TYR A 81 177.537 12.084 -5.945 1.00 0.00 H new ATOM 0 HD2 TYR A 81 176.665 10.040 -9.583 1.00 0.00 H new ATOM 0 HE1 TYR A 81 175.621 13.573 -6.323 1.00 0.00 H new ATOM 0 HE2 TYR A 81 174.754 11.534 -9.965 1.00 0.00 H new ATOM 0 HH TYR A 81 173.557 13.233 -9.216 1.00 0.00 H new ATOM 1318 N ASN A 82 180.644 11.062 -5.480 1.00 0.00 N ATOM 1319 CA ASN A 82 181.008 11.847 -4.298 1.00 0.00 C ATOM 1320 C ASN A 82 182.194 12.766 -4.589 1.00 0.00 C ATOM 1321 O ASN A 82 183.249 12.308 -5.030 1.00 0.00 O ATOM 1322 CB ASN A 82 181.353 10.925 -3.122 1.00 0.00 C ATOM 1323 CG ASN A 82 180.127 10.288 -2.490 1.00 0.00 C ATOM 1324 OD1 ASN A 82 179.067 10.908 -2.401 1.00 0.00 O ATOM 1325 ND2 ASN A 82 180.268 9.045 -2.041 1.00 0.00 N ATOM 0 H ASN A 82 180.825 10.062 -5.390 1.00 0.00 H new ATOM 0 HA ASN A 82 180.146 12.460 -4.034 1.00 0.00 H new ATOM 0 HB2 ASN A 82 182.026 10.141 -3.467 1.00 0.00 H new ATOM 0 HB3 ASN A 82 181.891 11.496 -2.365 1.00 0.00 H new ATOM 0 HD21 ASN A 82 179.480 8.569 -1.603 1.00 0.00 H new ATOM 0 HD22 ASN A 82 181.164 8.567 -2.135 1.00 0.00 H new ATOM 1332 N PRO A 83 182.035 14.082 -4.337 1.00 0.00 N ATOM 1333 CA PRO A 83 183.100 15.070 -4.568 1.00 0.00 C ATOM 1334 C PRO A 83 184.264 14.915 -3.585 1.00 0.00 C ATOM 1335 O PRO A 83 184.134 14.246 -2.561 1.00 0.00 O ATOM 1336 CB PRO A 83 182.393 16.411 -4.354 1.00 0.00 C ATOM 1337 CG PRO A 83 181.252 16.098 -3.449 1.00 0.00 C ATOM 1338 CD PRO A 83 180.808 14.707 -3.804 1.00 0.00 C ATOM 0 HA PRO A 83 183.548 14.962 -5.556 1.00 0.00 H new ATOM 0 HB2 PRO A 83 183.063 17.145 -3.907 1.00 0.00 H new ATOM 0 HB3 PRO A 83 182.046 16.830 -5.298 1.00 0.00 H new ATOM 0 HG2 PRO A 83 181.556 16.155 -2.404 1.00 0.00 H new ATOM 0 HG3 PRO A 83 180.440 16.813 -3.584 1.00 0.00 H new ATOM 0 HD2 PRO A 83 180.430 14.171 -2.933 1.00 0.00 H new ATOM 0 HD3 PRO A 83 180.008 14.717 -4.544 1.00 0.00 H new ATOM 1346 N PRO A 84 185.423 15.533 -3.885 1.00 0.00 N ATOM 1347 CA PRO A 84 186.605 15.456 -3.021 1.00 0.00 C ATOM 1348 C PRO A 84 186.479 16.332 -1.774 1.00 0.00 C ATOM 1349 O PRO A 84 186.161 17.519 -1.870 1.00 0.00 O ATOM 1350 CB PRO A 84 187.729 15.964 -3.923 1.00 0.00 C ATOM 1351 CG PRO A 84 187.059 16.897 -4.871 1.00 0.00 C ATOM 1352 CD PRO A 84 185.671 16.352 -5.089 1.00 0.00 C ATOM 0 HA PRO A 84 186.766 14.448 -2.638 1.00 0.00 H new ATOM 0 HB2 PRO A 84 188.501 16.473 -3.346 1.00 0.00 H new ATOM 0 HB3 PRO A 84 188.215 15.143 -4.451 1.00 0.00 H new ATOM 0 HG2 PRO A 84 187.021 17.906 -4.462 1.00 0.00 H new ATOM 0 HG3 PRO A 84 187.606 16.955 -5.812 1.00 0.00 H new ATOM 0 HD2 PRO A 84 184.937 17.152 -5.187 1.00 0.00 H new ATOM 0 HD3 PRO A 84 185.614 15.754 -5.999 1.00 0.00 H new ATOM 1360 N ASP A 85 186.730 15.732 -0.606 1.00 0.00 N ATOM 1361 CA ASP A 85 186.650 16.443 0.672 1.00 0.00 C ATOM 1362 C ASP A 85 185.241 16.994 0.906 1.00 0.00 C ATOM 1363 O ASP A 85 185.024 18.208 0.897 1.00 0.00 O ATOM 1364 CB ASP A 85 187.684 17.575 0.724 1.00 0.00 C ATOM 1365 CG ASP A 85 188.256 17.777 2.116 1.00 0.00 C ATOM 1366 OD1 ASP A 85 187.470 18.038 3.052 1.00 0.00 O ATOM 1367 OD2 ASP A 85 189.491 17.672 2.271 1.00 0.00 O ATOM 0 H ASP A 85 186.992 14.750 -0.521 1.00 0.00 H new ATOM 0 HA ASP A 85 186.872 15.732 1.468 1.00 0.00 H new ATOM 0 HB2 ASP A 85 188.495 17.354 0.030 1.00 0.00 H new ATOM 0 HB3 ASP A 85 187.220 18.502 0.387 1.00 0.00 H new ATOM 1372 N HIS A 86 184.284 16.090 1.112 1.00 0.00 N ATOM 1373 CA HIS A 86 182.895 16.476 1.343 1.00 0.00 C ATOM 1374 C HIS A 86 182.313 15.753 2.557 1.00 0.00 C ATOM 1375 O HIS A 86 182.804 14.693 2.952 1.00 0.00 O ATOM 1376 CB HIS A 86 182.056 16.166 0.103 1.00 0.00 C ATOM 1377 CG HIS A 86 180.920 17.117 -0.108 1.00 0.00 C ATOM 1378 ND1 HIS A 86 181.075 18.358 -0.688 1.00 0.00 N ATOM 1379 CD2 HIS A 86 179.603 17.003 0.185 1.00 0.00 C ATOM 1380 CE1 HIS A 86 179.903 18.966 -0.743 1.00 0.00 C ATOM 1381 NE2 HIS A 86 178.993 18.165 -0.219 1.00 0.00 N ATOM 0 H HIS A 86 184.447 15.083 1.123 1.00 0.00 H new ATOM 0 HA HIS A 86 182.870 17.547 1.542 1.00 0.00 H new ATOM 0 HB2 HIS A 86 182.701 16.184 -0.775 1.00 0.00 H new ATOM 0 HB3 HIS A 86 181.660 15.154 0.187 1.00 0.00 H new ATOM 0 HD2 HIS A 86 179.122 16.155 0.650 1.00 0.00 H new ATOM 0 HE1 HIS A 86 179.720 19.951 -1.148 1.00 0.00 H new ATOM 0 HE2 HIS A 86 177.999 18.375 -0.129 1.00 0.00 H new ATOM 1390 N GLU A 87 181.258 16.331 3.139 1.00 0.00 N ATOM 1391 CA GLU A 87 180.599 15.742 4.306 1.00 0.00 C ATOM 1392 C GLU A 87 180.117 14.324 4.006 1.00 0.00 C ATOM 1393 O GLU A 87 180.299 13.414 4.817 1.00 0.00 O ATOM 1394 CB GLU A 87 179.416 16.606 4.752 1.00 0.00 C ATOM 1395 CG GLU A 87 179.791 17.665 5.779 1.00 0.00 C ATOM 1396 CD GLU A 87 179.154 19.015 5.500 1.00 0.00 C ATOM 1397 OE1 GLU A 87 179.177 19.457 4.331 1.00 0.00 O ATOM 1398 OE2 GLU A 87 178.636 19.632 6.454 1.00 0.00 O ATOM 0 H GLU A 87 180.843 17.206 2.820 1.00 0.00 H new ATOM 0 HA GLU A 87 181.331 15.698 5.112 1.00 0.00 H new ATOM 0 HB2 GLU A 87 178.984 17.095 3.879 1.00 0.00 H new ATOM 0 HB3 GLU A 87 178.643 15.962 5.172 1.00 0.00 H new ATOM 0 HG2 GLU A 87 179.489 17.325 6.770 1.00 0.00 H new ATOM 0 HG3 GLU A 87 180.875 17.778 5.797 1.00 0.00 H new ATOM 1405 N VAL A 88 179.506 14.142 2.834 1.00 0.00 N ATOM 1406 CA VAL A 88 179.005 12.832 2.424 1.00 0.00 C ATOM 1407 C VAL A 88 180.149 11.832 2.254 1.00 0.00 C ATOM 1408 O VAL A 88 179.987 10.639 2.513 1.00 0.00 O ATOM 1409 CB VAL A 88 178.200 12.907 1.106 1.00 0.00 C ATOM 1410 CG1 VAL A 88 176.933 13.730 1.296 1.00 0.00 C ATOM 1411 CG2 VAL A 88 179.050 13.473 -0.029 1.00 0.00 C ATOM 0 H VAL A 88 179.347 14.885 2.154 1.00 0.00 H new ATOM 0 HA VAL A 88 178.341 12.493 3.219 1.00 0.00 H new ATOM 0 HB VAL A 88 177.912 11.892 0.831 1.00 0.00 H new ATOM 0 HG11 VAL A 88 176.381 13.770 0.357 1.00 0.00 H new ATOM 0 HG12 VAL A 88 176.311 13.268 2.063 1.00 0.00 H new ATOM 0 HG13 VAL A 88 177.199 14.741 1.604 1.00 0.00 H new ATOM 0 HG21 VAL A 88 178.457 13.513 -0.943 1.00 0.00 H new ATOM 0 HG22 VAL A 88 179.383 14.477 0.232 1.00 0.00 H new ATOM 0 HG23 VAL A 88 179.918 12.833 -0.188 1.00 0.00 H new ATOM 1421 N VAL A 89 181.309 12.333 1.824 1.00 0.00 N ATOM 1422 CA VAL A 89 182.486 11.494 1.623 1.00 0.00 C ATOM 1423 C VAL A 89 183.027 10.986 2.957 1.00 0.00 C ATOM 1424 O VAL A 89 183.355 9.807 3.092 1.00 0.00 O ATOM 1425 CB VAL A 89 183.602 12.258 0.882 1.00 0.00 C ATOM 1426 CG1 VAL A 89 184.750 11.326 0.526 1.00 0.00 C ATOM 1427 CG2 VAL A 89 183.051 12.939 -0.363 1.00 0.00 C ATOM 0 H VAL A 89 181.456 13.319 1.608 1.00 0.00 H new ATOM 0 HA VAL A 89 182.174 10.646 1.013 1.00 0.00 H new ATOM 0 HB VAL A 89 183.988 13.029 1.549 1.00 0.00 H new ATOM 0 HG11 VAL A 89 185.525 11.887 0.004 1.00 0.00 H new ATOM 0 HG12 VAL A 89 185.165 10.895 1.437 1.00 0.00 H new ATOM 0 HG13 VAL A 89 184.384 10.527 -0.119 1.00 0.00 H new ATOM 0 HG21 VAL A 89 183.854 13.473 -0.871 1.00 0.00 H new ATOM 0 HG22 VAL A 89 182.633 12.188 -1.033 1.00 0.00 H new ATOM 0 HG23 VAL A 89 182.271 13.645 -0.077 1.00 0.00 H new ATOM 1437 N ALA A 90 183.110 11.883 3.942 1.00 0.00 N ATOM 1438 CA ALA A 90 183.602 11.523 5.270 1.00 0.00 C ATOM 1439 C ALA A 90 182.783 10.380 5.862 1.00 0.00 C ATOM 1440 O ALA A 90 183.327 9.478 6.501 1.00 0.00 O ATOM 1441 CB ALA A 90 183.566 12.729 6.196 1.00 0.00 C ATOM 0 H ALA A 90 182.843 12.862 3.844 1.00 0.00 H new ATOM 0 HA ALA A 90 184.635 11.189 5.169 1.00 0.00 H new ATOM 0 HB1 ALA A 90 183.936 12.443 7.181 1.00 0.00 H new ATOM 0 HB2 ALA A 90 184.195 13.520 5.788 1.00 0.00 H new ATOM 0 HB3 ALA A 90 182.541 13.090 6.284 1.00 0.00 H new ATOM 1447 N MET A 91 181.470 10.425 5.636 1.00 0.00 N ATOM 1448 CA MET A 91 180.569 9.394 6.136 1.00 0.00 C ATOM 1449 C MET A 91 180.848 8.053 5.460 1.00 0.00 C ATOM 1450 O MET A 91 180.826 7.008 6.110 1.00 0.00 O ATOM 1451 CB MET A 91 179.110 9.803 5.912 1.00 0.00 C ATOM 1452 CG MET A 91 178.664 10.968 6.780 1.00 0.00 C ATOM 1453 SD MET A 91 177.183 11.778 6.147 1.00 0.00 S ATOM 1454 CE MET A 91 176.916 13.018 7.411 1.00 0.00 C ATOM 0 H MET A 91 181.009 11.167 5.109 1.00 0.00 H new ATOM 0 HA MET A 91 180.743 9.283 7.206 1.00 0.00 H new ATOM 0 HB2 MET A 91 178.973 10.069 4.864 1.00 0.00 H new ATOM 0 HB3 MET A 91 178.467 8.946 6.111 1.00 0.00 H new ATOM 0 HG2 MET A 91 178.473 10.610 7.792 1.00 0.00 H new ATOM 0 HG3 MET A 91 179.472 11.697 6.846 1.00 0.00 H new ATOM 0 HE1 MET A 91 176.032 13.605 7.164 1.00 0.00 H new ATOM 0 HE2 MET A 91 176.769 12.530 8.374 1.00 0.00 H new ATOM 0 HE3 MET A 91 177.784 13.675 7.465 1.00 0.00 H new ATOM 1464 N ALA A 92 181.116 8.090 4.151 1.00 0.00 N ATOM 1465 CA ALA A 92 181.407 6.877 3.387 1.00 0.00 C ATOM 1466 C ALA A 92 182.624 6.146 3.951 1.00 0.00 C ATOM 1467 O ALA A 92 182.617 4.920 4.067 1.00 0.00 O ATOM 1468 CB ALA A 92 181.625 7.211 1.917 1.00 0.00 C ATOM 0 H ALA A 92 181.137 8.948 3.600 1.00 0.00 H new ATOM 0 HA ALA A 92 180.546 6.214 3.473 1.00 0.00 H new ATOM 0 HB1 ALA A 92 181.840 6.297 1.364 1.00 0.00 H new ATOM 0 HB2 ALA A 92 180.726 7.677 1.512 1.00 0.00 H new ATOM 0 HB3 ALA A 92 182.465 7.899 1.821 1.00 0.00 H new ATOM 1474 N ARG A 93 183.666 6.904 4.305 1.00 0.00 N ATOM 1475 CA ARG A 93 184.885 6.319 4.863 1.00 0.00 C ATOM 1476 C ARG A 93 184.574 5.550 6.146 1.00 0.00 C ATOM 1477 O ARG A 93 184.984 4.400 6.304 1.00 0.00 O ATOM 1478 CB ARG A 93 185.932 7.404 5.139 1.00 0.00 C ATOM 1479 CG ARG A 93 186.884 7.642 3.976 1.00 0.00 C ATOM 1480 CD ARG A 93 186.447 8.829 3.130 1.00 0.00 C ATOM 1481 NE ARG A 93 185.483 8.444 2.100 1.00 0.00 N ATOM 1482 CZ ARG A 93 185.815 7.871 0.940 1.00 0.00 C ATOM 1483 NH1 ARG A 93 187.088 7.603 0.659 1.00 0.00 N ATOM 1484 NH2 ARG A 93 184.871 7.563 0.057 1.00 0.00 N ATOM 0 H ARG A 93 183.689 7.920 4.215 1.00 0.00 H new ATOM 0 HA ARG A 93 185.292 5.624 4.129 1.00 0.00 H new ATOM 0 HB2 ARG A 93 185.422 8.337 5.377 1.00 0.00 H new ATOM 0 HB3 ARG A 93 186.510 7.124 6.019 1.00 0.00 H new ATOM 0 HG2 ARG A 93 187.890 7.817 4.358 1.00 0.00 H new ATOM 0 HG3 ARG A 93 186.930 6.748 3.354 1.00 0.00 H new ATOM 0 HD2 ARG A 93 186.005 9.589 3.774 1.00 0.00 H new ATOM 0 HD3 ARG A 93 187.321 9.279 2.658 1.00 0.00 H new ATOM 0 HE ARG A 93 184.495 8.624 2.279 1.00 0.00 H new ATOM 0 HH11 ARG A 93 187.819 7.835 1.332 1.00 0.00 H new ATOM 0 HH12 ARG A 93 187.333 7.165 -0.229 1.00 0.00 H new ATOM 0 HH21 ARG A 93 183.893 7.764 0.265 1.00 0.00 H new ATOM 0 HH22 ARG A 93 185.124 7.125 -0.829 1.00 0.00 H new ATOM 1498 N LYS A 94 183.836 6.191 7.053 1.00 0.00 N ATOM 1499 CA LYS A 94 183.458 5.563 8.317 1.00 0.00 C ATOM 1500 C LYS A 94 182.505 4.391 8.080 1.00 0.00 C ATOM 1501 O LYS A 94 182.610 3.356 8.739 1.00 0.00 O ATOM 1502 CB LYS A 94 182.805 6.587 9.249 1.00 0.00 C ATOM 1503 CG LYS A 94 182.887 6.215 10.722 1.00 0.00 C ATOM 1504 CD LYS A 94 182.660 7.426 11.616 1.00 0.00 C ATOM 1505 CE LYS A 94 182.295 7.018 13.037 1.00 0.00 C ATOM 1506 NZ LYS A 94 180.878 6.567 13.147 1.00 0.00 N ATOM 0 H LYS A 94 183.489 7.143 6.935 1.00 0.00 H new ATOM 0 HA LYS A 94 184.364 5.182 8.788 1.00 0.00 H new ATOM 0 HB2 LYS A 94 183.282 7.556 9.101 1.00 0.00 H new ATOM 0 HB3 LYS A 94 181.757 6.702 8.970 1.00 0.00 H new ATOM 0 HG2 LYS A 94 182.143 5.450 10.947 1.00 0.00 H new ATOM 0 HG3 LYS A 94 183.864 5.782 10.935 1.00 0.00 H new ATOM 0 HD2 LYS A 94 183.561 8.039 11.634 1.00 0.00 H new ATOM 0 HD3 LYS A 94 181.864 8.042 11.199 1.00 0.00 H new ATOM 0 HE2 LYS A 94 182.956 6.216 13.364 1.00 0.00 H new ATOM 0 HE3 LYS A 94 182.460 7.860 13.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 180.660 6.348 14.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 180.246 7.322 12.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 180.738 5.716 12.566 1.00 0.00 H new ATOM 1520 N LEU A 95 181.579 4.560 7.130 1.00 0.00 N ATOM 1521 CA LEU A 95 180.611 3.513 6.800 1.00 0.00 C ATOM 1522 C LEU A 95 181.316 2.251 6.302 1.00 0.00 C ATOM 1523 O LEU A 95 180.872 1.135 6.574 1.00 0.00 O ATOM 1524 CB LEU A 95 179.618 4.008 5.742 1.00 0.00 C ATOM 1525 CG LEU A 95 178.149 4.003 6.177 1.00 0.00 C ATOM 1526 CD1 LEU A 95 177.389 5.143 5.512 1.00 0.00 C ATOM 1527 CD2 LEU A 95 177.499 2.664 5.851 1.00 0.00 C ATOM 0 H LEU A 95 181.481 5.412 6.578 1.00 0.00 H new ATOM 0 HA LEU A 95 180.064 3.268 7.710 1.00 0.00 H new ATOM 0 HB2 LEU A 95 179.892 5.023 5.455 1.00 0.00 H new ATOM 0 HB3 LEU A 95 179.719 3.387 4.852 1.00 0.00 H new ATOM 0 HG LEU A 95 178.111 4.150 7.256 1.00 0.00 H new ATOM 0 HD11 LEU A 95 176.348 5.122 5.834 1.00 0.00 H new ATOM 0 HD12 LEU A 95 177.838 6.095 5.797 1.00 0.00 H new ATOM 0 HD13 LEU A 95 177.437 5.029 4.429 1.00 0.00 H new ATOM 0 HD21 LEU A 95 176.456 2.679 6.167 1.00 0.00 H new ATOM 0 HD22 LEU A 95 177.550 2.487 4.777 1.00 0.00 H new ATOM 0 HD23 LEU A 95 178.025 1.867 6.376 1.00 0.00 H new ATOM 1539 N GLN A 96 182.420 2.434 5.577 1.00 0.00 N ATOM 1540 CA GLN A 96 183.188 1.310 5.051 1.00 0.00 C ATOM 1541 C GLN A 96 183.875 0.547 6.183 1.00 0.00 C ATOM 1542 O GLN A 96 183.859 -0.684 6.211 1.00 0.00 O ATOM 1543 CB GLN A 96 184.233 1.802 4.046 1.00 0.00 C ATOM 1544 CG GLN A 96 184.861 0.687 3.221 1.00 0.00 C ATOM 1545 CD GLN A 96 186.377 0.764 3.189 1.00 0.00 C ATOM 1546 OE1 GLN A 96 186.980 0.904 2.125 1.00 0.00 O ATOM 1547 NE2 GLN A 96 187.002 0.671 4.358 1.00 0.00 N ATOM 0 H GLN A 96 182.801 3.351 5.342 1.00 0.00 H new ATOM 0 HA GLN A 96 182.498 0.635 4.544 1.00 0.00 H new ATOM 0 HB2 GLN A 96 183.766 2.521 3.373 1.00 0.00 H new ATOM 0 HB3 GLN A 96 185.020 2.332 4.583 1.00 0.00 H new ATOM 0 HG2 GLN A 96 184.559 -0.277 3.631 1.00 0.00 H new ATOM 0 HG3 GLN A 96 184.477 0.734 2.202 1.00 0.00 H new ATOM 0 HE21 GLN A 96 186.463 0.556 5.216 1.00 0.00 H new ATOM 0 HE22 GLN A 96 188.020 0.715 4.397 1.00 0.00 H new ATOM 1556 N ASP A 97 184.480 1.290 7.113 1.00 0.00 N ATOM 1557 CA ASP A 97 185.177 0.689 8.249 1.00 0.00 C ATOM 1558 C ASP A 97 184.213 -0.087 9.143 1.00 0.00 C ATOM 1559 O ASP A 97 184.499 -1.220 9.532 1.00 0.00 O ATOM 1560 CB ASP A 97 185.891 1.771 9.068 1.00 0.00 C ATOM 1561 CG ASP A 97 186.977 1.202 9.962 1.00 0.00 C ATOM 1562 OD1 ASP A 97 188.125 1.067 9.488 1.00 0.00 O ATOM 1563 OD2 ASP A 97 186.680 0.894 11.136 1.00 0.00 O ATOM 0 H ASP A 97 184.500 2.310 7.100 1.00 0.00 H new ATOM 0 HA ASP A 97 185.915 -0.010 7.855 1.00 0.00 H new ATOM 0 HB2 ASP A 97 186.329 2.504 8.391 1.00 0.00 H new ATOM 0 HB3 ASP A 97 185.161 2.299 9.681 1.00 0.00 H new ATOM 1568 N VAL A 98 183.071 0.523 9.467 1.00 0.00 N ATOM 1569 CA VAL A 98 182.073 -0.126 10.316 1.00 0.00 C ATOM 1570 C VAL A 98 181.533 -1.399 9.659 1.00 0.00 C ATOM 1571 O VAL A 98 181.380 -2.427 10.320 1.00 0.00 O ATOM 1572 CB VAL A 98 180.900 0.822 10.671 1.00 0.00 C ATOM 1573 CG1 VAL A 98 180.170 1.295 9.423 1.00 0.00 C ATOM 1574 CG2 VAL A 98 179.935 0.143 11.635 1.00 0.00 C ATOM 0 H VAL A 98 182.816 1.460 9.156 1.00 0.00 H new ATOM 0 HA VAL A 98 182.580 -0.392 11.243 1.00 0.00 H new ATOM 0 HB VAL A 98 181.319 1.701 11.162 1.00 0.00 H new ATOM 0 HG11 VAL A 98 179.353 1.958 9.709 1.00 0.00 H new ATOM 0 HG12 VAL A 98 180.864 1.832 8.777 1.00 0.00 H new ATOM 0 HG13 VAL A 98 179.768 0.434 8.888 1.00 0.00 H new ATOM 0 HG21 VAL A 98 179.118 0.825 11.872 1.00 0.00 H new ATOM 0 HG22 VAL A 98 179.533 -0.758 11.173 1.00 0.00 H new ATOM 0 HG23 VAL A 98 180.463 -0.124 12.551 1.00 0.00 H new ATOM 1584 N PHE A 99 181.251 -1.327 8.354 1.00 0.00 N ATOM 1585 CA PHE A 99 180.737 -2.480 7.617 1.00 0.00 C ATOM 1586 C PHE A 99 181.774 -3.600 7.577 1.00 0.00 C ATOM 1587 O PHE A 99 181.465 -4.750 7.889 1.00 0.00 O ATOM 1588 CB PHE A 99 180.340 -2.080 6.191 1.00 0.00 C ATOM 1589 CG PHE A 99 178.988 -2.594 5.777 1.00 0.00 C ATOM 1590 CD1 PHE A 99 177.845 -2.199 6.454 1.00 0.00 C ATOM 1591 CD2 PHE A 99 178.862 -3.472 4.712 1.00 0.00 C ATOM 1592 CE1 PHE A 99 176.602 -2.672 6.078 1.00 0.00 C ATOM 1593 CE2 PHE A 99 177.621 -3.948 4.332 1.00 0.00 C ATOM 1594 CZ PHE A 99 176.490 -3.547 5.015 1.00 0.00 C ATOM 0 H PHE A 99 181.370 -0.485 7.791 1.00 0.00 H new ATOM 0 HA PHE A 99 179.850 -2.843 8.136 1.00 0.00 H new ATOM 0 HB2 PHE A 99 180.346 -0.993 6.112 1.00 0.00 H new ATOM 0 HB3 PHE A 99 181.091 -2.454 5.495 1.00 0.00 H new ATOM 0 HD1 PHE A 99 177.927 -1.514 7.285 1.00 0.00 H new ATOM 0 HD2 PHE A 99 179.743 -3.788 4.173 1.00 0.00 H new ATOM 0 HE1 PHE A 99 175.719 -2.358 6.615 1.00 0.00 H new ATOM 0 HE2 PHE A 99 177.536 -4.633 3.501 1.00 0.00 H new ATOM 0 HZ PHE A 99 175.520 -3.917 4.719 1.00 0.00 H new ATOM 1604 N GLU A 100 183.007 -3.255 7.198 1.00 0.00 N ATOM 1605 CA GLU A 100 184.090 -4.234 7.125 1.00 0.00 C ATOM 1606 C GLU A 100 184.378 -4.832 8.501 1.00 0.00 C ATOM 1607 O GLU A 100 184.567 -6.042 8.631 1.00 0.00 O ATOM 1608 CB GLU A 100 185.360 -3.591 6.554 1.00 0.00 C ATOM 1609 CG GLU A 100 185.987 -4.393 5.423 1.00 0.00 C ATOM 1610 CD GLU A 100 187.144 -5.264 5.880 1.00 0.00 C ATOM 1611 OE1 GLU A 100 186.993 -5.973 6.898 1.00 0.00 O ATOM 1612 OE2 GLU A 100 188.201 -5.242 5.216 1.00 0.00 O ATOM 0 H GLU A 100 183.278 -2.307 6.938 1.00 0.00 H new ATOM 0 HA GLU A 100 183.773 -5.037 6.459 1.00 0.00 H new ATOM 0 HB2 GLU A 100 185.121 -2.591 6.191 1.00 0.00 H new ATOM 0 HB3 GLU A 100 186.090 -3.473 7.355 1.00 0.00 H new ATOM 0 HG2 GLU A 100 185.224 -5.023 4.966 1.00 0.00 H new ATOM 0 HG3 GLU A 100 186.338 -3.708 4.651 1.00 0.00 H new ATOM 1619 N MET A 101 184.401 -3.977 9.525 1.00 0.00 N ATOM 1620 CA MET A 101 184.661 -4.418 10.893 1.00 0.00 C ATOM 1621 C MET A 101 183.618 -5.437 11.347 1.00 0.00 C ATOM 1622 O MET A 101 183.964 -6.487 11.887 1.00 0.00 O ATOM 1623 CB MET A 101 184.665 -3.221 11.852 1.00 0.00 C ATOM 1624 CG MET A 101 186.054 -2.685 12.162 1.00 0.00 C ATOM 1625 SD MET A 101 186.492 -2.851 13.905 1.00 0.00 S ATOM 1626 CE MET A 101 185.923 -1.281 14.554 1.00 0.00 C ATOM 0 H MET A 101 184.242 -2.974 9.431 1.00 0.00 H new ATOM 0 HA MET A 101 185.642 -4.893 10.909 1.00 0.00 H new ATOM 0 HB2 MET A 101 184.065 -2.420 11.420 1.00 0.00 H new ATOM 0 HB3 MET A 101 184.182 -3.513 12.785 1.00 0.00 H new ATOM 0 HG2 MET A 101 186.788 -3.216 11.555 1.00 0.00 H new ATOM 0 HG3 MET A 101 186.105 -1.634 11.877 1.00 0.00 H new ATOM 0 HE1 MET A 101 185.842 -1.344 15.639 1.00 0.00 H new ATOM 0 HE2 MET A 101 186.633 -0.498 14.288 1.00 0.00 H new ATOM 0 HE3 MET A 101 184.947 -1.045 14.131 1.00 0.00 H new ATOM 1636 N ARG A 102 182.340 -5.125 11.124 1.00 0.00 N ATOM 1637 CA ARG A 102 181.255 -6.024 11.513 1.00 0.00 C ATOM 1638 C ARG A 102 181.282 -7.303 10.680 1.00 0.00 C ATOM 1639 O ARG A 102 181.132 -8.398 11.216 1.00 0.00 O ATOM 1640 CB ARG A 102 179.898 -5.330 11.367 1.00 0.00 C ATOM 1641 CG ARG A 102 179.292 -4.897 12.694 1.00 0.00 C ATOM 1642 CD ARG A 102 179.532 -3.419 12.962 1.00 0.00 C ATOM 1643 NE ARG A 102 180.858 -3.170 13.529 1.00 0.00 N ATOM 1644 CZ ARG A 102 181.191 -2.062 14.198 1.00 0.00 C ATOM 1645 NH1 ARG A 102 180.295 -1.099 14.400 1.00 0.00 N ATOM 1646 NH2 ARG A 102 182.424 -1.917 14.670 1.00 0.00 N ATOM 0 H ARG A 102 182.033 -4.260 10.678 1.00 0.00 H new ATOM 0 HA ARG A 102 181.401 -6.290 12.560 1.00 0.00 H new ATOM 0 HB2 ARG A 102 180.013 -4.456 10.727 1.00 0.00 H new ATOM 0 HB3 ARG A 102 179.206 -6.005 10.864 1.00 0.00 H new ATOM 0 HG2 ARG A 102 178.221 -5.097 12.688 1.00 0.00 H new ATOM 0 HG3 ARG A 102 179.723 -5.489 13.502 1.00 0.00 H new ATOM 0 HD2 ARG A 102 179.425 -2.861 12.032 1.00 0.00 H new ATOM 0 HD3 ARG A 102 178.770 -3.047 13.647 1.00 0.00 H new ATOM 0 HE ARG A 102 181.573 -3.887 13.406 1.00 0.00 H new ATOM 0 HH11 ARG A 102 179.345 -1.203 14.043 1.00 0.00 H new ATOM 0 HH12 ARG A 102 180.558 -0.257 14.912 1.00 0.00 H new ATOM 0 HH21 ARG A 102 183.116 -2.651 14.522 1.00 0.00 H new ATOM 0 HH22 ARG A 102 182.678 -1.071 15.181 1.00 0.00 H new ATOM 1660 N PHE A 103 181.479 -7.157 9.370 1.00 0.00 N ATOM 1661 CA PHE A 103 181.531 -8.307 8.469 1.00 0.00 C ATOM 1662 C PHE A 103 182.661 -9.257 8.864 1.00 0.00 C ATOM 1663 O PHE A 103 182.454 -10.467 8.974 1.00 0.00 O ATOM 1664 CB PHE A 103 181.720 -7.847 7.019 1.00 0.00 C ATOM 1665 CG PHE A 103 180.437 -7.757 6.238 1.00 0.00 C ATOM 1666 CD1 PHE A 103 179.322 -7.132 6.776 1.00 0.00 C ATOM 1667 CD2 PHE A 103 180.347 -8.298 4.964 1.00 0.00 C ATOM 1668 CE1 PHE A 103 178.143 -7.051 6.061 1.00 0.00 C ATOM 1669 CE2 PHE A 103 179.169 -8.220 4.244 1.00 0.00 C ATOM 1670 CZ PHE A 103 178.066 -7.595 4.793 1.00 0.00 C ATOM 0 H PHE A 103 181.605 -6.255 8.910 1.00 0.00 H new ATOM 0 HA PHE A 103 180.584 -8.840 8.550 1.00 0.00 H new ATOM 0 HB2 PHE A 103 182.204 -6.871 7.018 1.00 0.00 H new ATOM 0 HB3 PHE A 103 182.394 -8.538 6.513 1.00 0.00 H new ATOM 0 HD1 PHE A 103 179.376 -6.703 7.766 1.00 0.00 H new ATOM 0 HD2 PHE A 103 181.207 -8.786 4.529 1.00 0.00 H new ATOM 0 HE1 PHE A 103 177.282 -6.563 6.493 1.00 0.00 H new ATOM 0 HE2 PHE A 103 179.111 -8.647 3.254 1.00 0.00 H new ATOM 0 HZ PHE A 103 177.145 -7.532 4.232 1.00 0.00 H new ATOM 1680 N ALA A 104 183.855 -8.700 9.078 1.00 0.00 N ATOM 1681 CA ALA A 104 185.019 -9.497 9.462 1.00 0.00 C ATOM 1682 C ALA A 104 184.850 -10.101 10.857 1.00 0.00 C ATOM 1683 O ALA A 104 185.268 -11.231 11.100 1.00 0.00 O ATOM 1684 CB ALA A 104 186.286 -8.653 9.400 1.00 0.00 C ATOM 0 H ALA A 104 184.040 -7.701 8.992 1.00 0.00 H new ATOM 0 HA ALA A 104 185.107 -10.319 8.751 1.00 0.00 H new ATOM 0 HB1 ALA A 104 187.143 -9.261 9.689 1.00 0.00 H new ATOM 0 HB2 ALA A 104 186.428 -8.285 8.384 1.00 0.00 H new ATOM 0 HB3 ALA A 104 186.194 -7.808 10.083 1.00 0.00 H new ATOM 1690 N LYS A 105 184.241 -9.341 11.772 1.00 0.00 N ATOM 1691 CA LYS A 105 184.025 -9.811 13.143 1.00 0.00 C ATOM 1692 C LYS A 105 182.941 -10.888 13.207 1.00 0.00 C ATOM 1693 O LYS A 105 183.100 -11.895 13.897 1.00 0.00 O ATOM 1694 CB LYS A 105 183.649 -8.641 14.060 1.00 0.00 C ATOM 1695 CG LYS A 105 184.050 -8.855 15.512 1.00 0.00 C ATOM 1696 CD LYS A 105 183.107 -8.136 16.466 1.00 0.00 C ATOM 1697 CE LYS A 105 182.085 -9.090 17.070 1.00 0.00 C ATOM 1698 NZ LYS A 105 182.724 -10.121 17.938 1.00 0.00 N ATOM 0 H LYS A 105 183.890 -8.401 11.589 1.00 0.00 H new ATOM 0 HA LYS A 105 184.961 -10.252 13.486 1.00 0.00 H new ATOM 0 HB2 LYS A 105 184.124 -7.733 13.690 1.00 0.00 H new ATOM 0 HB3 LYS A 105 182.572 -8.481 14.009 1.00 0.00 H new ATOM 0 HG2 LYS A 105 184.051 -9.922 15.736 1.00 0.00 H new ATOM 0 HG3 LYS A 105 185.068 -8.496 15.666 1.00 0.00 H new ATOM 0 HD2 LYS A 105 183.683 -7.667 17.263 1.00 0.00 H new ATOM 0 HD3 LYS A 105 182.590 -7.337 15.934 1.00 0.00 H new ATOM 0 HE2 LYS A 105 181.361 -8.522 17.655 1.00 0.00 H new ATOM 0 HE3 LYS A 105 181.532 -9.582 16.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 182.039 -10.449 18.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 183.030 -10.925 17.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 183.549 -9.708 18.418 1.00 0.00 H new ATOM 1712 N MET A 106 181.835 -10.663 12.495 1.00 0.00 N ATOM 1713 CA MET A 106 180.721 -11.611 12.483 1.00 0.00 C ATOM 1714 C MET A 106 181.111 -12.920 11.799 1.00 0.00 C ATOM 1715 O MET A 106 180.813 -14.003 12.305 1.00 0.00 O ATOM 1716 CB MET A 106 179.507 -11.001 11.776 1.00 0.00 C ATOM 1717 CG MET A 106 178.217 -11.126 12.568 1.00 0.00 C ATOM 1718 SD MET A 106 177.472 -12.762 12.423 1.00 0.00 S ATOM 1719 CE MET A 106 177.273 -12.895 10.647 1.00 0.00 C ATOM 0 H MET A 106 181.688 -9.833 11.920 1.00 0.00 H new ATOM 0 HA MET A 106 180.463 -11.829 13.519 1.00 0.00 H new ATOM 0 HB2 MET A 106 179.703 -9.947 11.580 1.00 0.00 H new ATOM 0 HB3 MET A 106 179.378 -11.486 10.809 1.00 0.00 H new ATOM 0 HG2 MET A 106 178.417 -10.914 13.618 1.00 0.00 H new ATOM 0 HG3 MET A 106 177.507 -10.375 12.221 1.00 0.00 H new ATOM 0 HE1 MET A 106 176.466 -13.592 10.423 1.00 0.00 H new ATOM 0 HE2 MET A 106 177.032 -11.916 10.233 1.00 0.00 H new ATOM 0 HE3 MET A 106 178.200 -13.258 10.203 1.00 0.00 H new ATOM 1729 N LEU A 107 181.779 -12.816 10.650 1.00 0.00 N ATOM 1730 CA LEU A 107 182.208 -13.998 9.902 1.00 0.00 C ATOM 1731 C LEU A 107 183.463 -14.611 10.524 1.00 0.00 C ATOM 1732 O LEU A 107 183.591 -15.835 10.602 1.00 0.00 O ATOM 1733 CB LEU A 107 182.477 -13.644 8.434 1.00 0.00 C ATOM 1734 CG LEU A 107 181.769 -14.531 7.407 1.00 0.00 C ATOM 1735 CD1 LEU A 107 181.547 -13.769 6.111 1.00 0.00 C ATOM 1736 CD2 LEU A 107 182.568 -15.801 7.147 1.00 0.00 C ATOM 0 H LEU A 107 182.034 -11.928 10.218 1.00 0.00 H new ATOM 0 HA LEU A 107 181.401 -14.730 9.947 1.00 0.00 H new ATOM 0 HB2 LEU A 107 182.176 -12.610 8.266 1.00 0.00 H new ATOM 0 HB3 LEU A 107 183.551 -13.696 8.256 1.00 0.00 H new ATOM 0 HG LEU A 107 180.799 -14.816 7.814 1.00 0.00 H new ATOM 0 HD11 LEU A 107 181.043 -14.414 5.392 1.00 0.00 H new ATOM 0 HD12 LEU A 107 180.931 -12.891 6.306 1.00 0.00 H new ATOM 0 HD13 LEU A 107 182.508 -13.454 5.705 1.00 0.00 H new ATOM 0 HD21 LEU A 107 182.046 -16.416 6.414 1.00 0.00 H new ATOM 0 HD22 LEU A 107 183.554 -15.538 6.764 1.00 0.00 H new ATOM 0 HD23 LEU A 107 182.677 -16.359 8.077 1.00 0.00 H new ATOM 1748 N GLN A 108 184.387 -13.748 10.956 1.00 0.00 N ATOM 1749 CA GLN A 108 185.645 -14.187 11.568 1.00 0.00 C ATOM 1750 C GLN A 108 186.569 -14.846 10.537 1.00 0.00 C ATOM 1751 O GLN A 108 186.131 -15.058 9.384 1.00 0.00 O ATOM 1752 CB GLN A 108 185.372 -15.153 12.731 1.00 0.00 C ATOM 1753 CG GLN A 108 186.519 -15.245 13.728 1.00 0.00 C ATOM 1754 CD GLN A 108 186.175 -16.087 14.941 1.00 0.00 C ATOM 1755 OE1 GLN A 108 186.603 -17.234 15.054 1.00 0.00 O ATOM 1756 NE2 GLN A 108 185.400 -15.518 15.857 1.00 0.00 N ATOM 0 H GLN A 108 184.286 -12.735 10.893 1.00 0.00 H new ATOM 0 HA GLN A 108 186.150 -13.302 11.956 1.00 0.00 H new ATOM 0 HB2 GLN A 108 184.471 -14.833 13.255 1.00 0.00 H new ATOM 0 HB3 GLN A 108 185.171 -16.146 12.328 1.00 0.00 H new ATOM 0 HG2 GLN A 108 187.392 -15.669 13.232 1.00 0.00 H new ATOM 0 HG3 GLN A 108 186.793 -14.242 14.054 1.00 0.00 H new ATOM 0 HE21 GLN A 108 185.067 -14.563 15.722 1.00 0.00 H new ATOM 0 HE22 GLN A 108 185.137 -16.036 16.696 1.00 0.00 H new TER 1765 GLN A 108