USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 760 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 101 LYS NZ :NH3+ 179:sc= 0.0811 (180deg=-0.732) USER MOD Set 1.2: A 105 GLN : amide:sc= -0.793! C(o=-0.71!,f=-8!) USER MOD Set 2.1: A 3 HIS : no HD1:sc= 0.0942 K(o=1.2,f=-4.4!) USER MOD Set 2.2: A 103 THR OG1 : rot 77:sc= 1.11 USER MOD Set 3.1: A 102 MET CE :methyl 152:sc= -0.177 (180deg=-0.91) USER MOD Set 3.2: A 106 GLN : amide:sc= 0.71 K(o=0.53,f=-0.21) USER MOD Set 4.1: A 93 ASN : amide:sc= 0.588 K(o=0.59,f=-8.9!) USER MOD Set 4.2: A 95 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 38 HIS : no HD1:sc= -0.0282 X(o=-0.27,f=-0.21) USER MOD Set 5.2: A 87 HIS : no HD1:sc= -0.239 X(o=-0.27,f=-0.028) USER MOD Set 6.1: A 28 THR OG1 : rot 180:sc= 0 USER MOD Set 6.2: A 39 THR OG1 : rot 180:sc= -0.393 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN :FLIP amide:sc= -1.75 F(o=-3.4!,f=-1.8) USER MOD Single : A 23 SER OG : rot 180:sc= -1.88! USER MOD Single : A 31 SER OG : rot 165:sc= 1.11 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.112 USER MOD Single : A 36 LYS NZ :NH3+ -124:sc= 1.06 (180deg=-0.113) USER MOD Single : A 43 SER OG : rot 95:sc= 0.263 USER MOD Single : A 44 THR OG1 : rot -23:sc= 0.815 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -6.18! C(o=-6.2!,f=-6.5!) USER MOD Single : A 51 THR OG1 : rot -13:sc= -1.15! USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 150:sc= 0.029 USER MOD Single : A 57 LYS NZ :NH3+ -163:sc= -0.063 (180deg=-0.368) USER MOD Single : A 58 MET CE :methyl -166:sc= 0 (180deg=-0.0837) USER MOD Single : A 59 MET CE :methyl -163:sc= -0.309 (180deg=-1.02) USER MOD Single : A 65 LYS NZ :NH3+ 147:sc= 0.423 (180deg=0.228) USER MOD Single : A 85 GLN : amide:sc= -1.61 K(o=-1.6,f=-4.4!) USER MOD Single : A 88 MET CE :methyl -171:sc= -1.3 (180deg=-1.49) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN :FLIP amide:sc= 0 F(o=-0.6,f=0) USER MOD Single : A 97 MET CE :methyl -163:sc= -2.6 (180deg=-4.51!) USER MOD Single : A 99 ASN :FLIP amide:sc= -0.796 F(o=-2.3!,f=-0.8) USER MOD Single : A 109 SER OG : rot 81:sc= 0.449 USER MOD Single : A 111 TYR OH : rot 150:sc= -2.56! USER MOD ----------------------------------------------------------------- ATOM 28 N HIS A 3 14.091 -2.606 2.658 1.00 0.35 N ATOM 29 CA HIS A 3 13.835 -1.276 2.132 1.00 0.24 C ATOM 30 C HIS A 3 13.892 -1.280 0.609 1.00 0.16 C ATOM 31 O HIS A 3 13.950 -0.232 -0.026 1.00 0.19 O ATOM 32 CB HIS A 3 14.852 -0.270 2.688 1.00 0.32 C ATOM 33 CG HIS A 3 14.534 0.264 4.054 1.00 0.71 C ATOM 34 ND1 HIS A 3 14.553 -0.505 5.201 1.00 1.12 N ATOM 35 CD2 HIS A 3 14.203 1.518 4.453 1.00 1.43 C ATOM 36 CE1 HIS A 3 14.247 0.253 6.241 1.00 1.64 C ATOM 37 NE2 HIS A 3 14.031 1.484 5.814 1.00 1.85 N ATOM 0 HA HIS A 3 12.835 -0.976 2.446 1.00 0.24 H new ATOM 0 HB2 HIS A 3 15.832 -0.747 2.720 1.00 0.32 H new ATOM 0 HB3 HIS A 3 14.927 0.568 1.995 1.00 0.32 H new ATOM 0 HD2 HIS A 3 14.095 2.384 3.816 1.00 1.43 H new ATOM 0 HE1 HIS A 3 14.184 -0.079 7.267 1.00 1.64 H new ATOM 0 HE2 HIS A 3 13.778 2.279 6.400 1.00 1.85 H new ATOM 46 N SER A 4 13.895 -2.465 0.032 1.00 0.14 N ATOM 47 CA SER A 4 13.875 -2.616 -1.414 1.00 0.13 C ATOM 48 C SER A 4 13.487 -4.048 -1.785 1.00 0.15 C ATOM 49 O SER A 4 13.768 -4.988 -1.038 1.00 0.24 O ATOM 50 CB SER A 4 15.227 -2.233 -2.022 1.00 0.17 C ATOM 51 OG SER A 4 16.272 -3.057 -1.529 1.00 0.95 O ATOM 0 H SER A 4 13.911 -3.346 0.545 1.00 0.14 H new ATOM 0 HA SER A 4 13.127 -1.939 -1.827 1.00 0.13 H new ATOM 0 HB2 SER A 4 15.176 -2.319 -3.107 1.00 0.17 H new ATOM 0 HB3 SER A 4 15.447 -1.190 -1.795 1.00 0.17 H new ATOM 0 HG SER A 4 17.121 -2.788 -1.938 1.00 0.95 H new ATOM 57 N GLY A 5 12.827 -4.203 -2.919 1.00 0.14 N ATOM 58 CA GLY A 5 12.390 -5.508 -3.373 1.00 0.15 C ATOM 59 C GLY A 5 11.629 -5.391 -4.675 1.00 0.15 C ATOM 60 O GLY A 5 10.928 -4.411 -4.883 1.00 0.16 O ATOM 0 H GLY A 5 12.582 -3.435 -3.544 1.00 0.14 H new ATOM 0 HA2 GLY A 5 13.253 -6.160 -3.507 1.00 0.15 H new ATOM 0 HA3 GLY A 5 11.757 -5.969 -2.615 1.00 0.15 H new ATOM 64 N ALA A 6 11.767 -6.366 -5.560 1.00 0.16 N ATOM 65 CA ALA A 6 11.134 -6.277 -6.872 1.00 0.17 C ATOM 66 C ALA A 6 9.629 -6.568 -6.790 1.00 0.21 C ATOM 67 O ALA A 6 9.227 -7.665 -6.399 1.00 0.43 O ATOM 68 CB ALA A 6 11.794 -7.227 -7.853 1.00 0.21 C ATOM 0 H ALA A 6 12.304 -7.218 -5.400 1.00 0.16 H new ATOM 0 HA ALA A 6 11.264 -5.255 -7.228 1.00 0.17 H new ATOM 0 HB1 ALA A 6 11.306 -7.144 -8.824 1.00 0.21 H new ATOM 0 HB2 ALA A 6 12.849 -6.971 -7.954 1.00 0.21 H new ATOM 0 HB3 ALA A 6 11.702 -8.250 -7.487 1.00 0.21 H new ATOM 74 N ALA A 7 8.805 -5.593 -7.175 1.00 0.11 N ATOM 75 CA ALA A 7 7.350 -5.736 -7.094 1.00 0.12 C ATOM 76 C ALA A 7 6.684 -5.486 -8.440 1.00 0.12 C ATOM 77 O ALA A 7 7.235 -4.828 -9.314 1.00 0.13 O ATOM 78 CB ALA A 7 6.758 -4.784 -6.062 1.00 0.12 C ATOM 0 H ALA A 7 9.119 -4.696 -7.546 1.00 0.11 H new ATOM 0 HA ALA A 7 7.155 -6.764 -6.790 1.00 0.12 H new ATOM 0 HB1 ALA A 7 5.676 -4.914 -6.025 1.00 0.12 H new ATOM 0 HB2 ALA A 7 7.183 -5.000 -5.082 1.00 0.12 H new ATOM 0 HB3 ALA A 7 6.991 -3.756 -6.340 1.00 0.12 H new ATOM 84 N ILE A 8 5.486 -6.013 -8.575 1.00 0.15 N ATOM 85 CA ILE A 8 4.667 -5.839 -9.761 1.00 0.19 C ATOM 86 C ILE A 8 3.626 -4.766 -9.491 1.00 0.22 C ATOM 87 O ILE A 8 2.860 -4.860 -8.532 1.00 0.26 O ATOM 88 CB ILE A 8 3.946 -7.158 -10.155 1.00 0.23 C ATOM 89 CG1 ILE A 8 4.927 -8.235 -10.646 1.00 0.26 C ATOM 90 CG2 ILE A 8 2.896 -6.894 -11.217 1.00 0.29 C ATOM 91 CD1 ILE A 8 5.802 -8.833 -9.564 1.00 0.25 C ATOM 0 H ILE A 8 5.045 -6.584 -7.854 1.00 0.15 H new ATOM 0 HA ILE A 8 5.318 -5.547 -10.585 1.00 0.19 H new ATOM 0 HB ILE A 8 3.464 -7.537 -9.254 1.00 0.23 H new ATOM 0 HG12 ILE A 8 4.359 -9.036 -11.119 1.00 0.26 H new ATOM 0 HG13 ILE A 8 5.567 -7.801 -11.414 1.00 0.26 H new ATOM 0 HG21 ILE A 8 2.402 -7.829 -11.480 1.00 0.29 H new ATOM 0 HG22 ILE A 8 2.159 -6.189 -10.832 1.00 0.29 H new ATOM 0 HG23 ILE A 8 3.372 -6.473 -12.103 1.00 0.29 H new ATOM 0 HD11 ILE A 8 6.461 -9.583 -10.002 1.00 0.25 H new ATOM 0 HD12 ILE A 8 6.401 -8.047 -9.105 1.00 0.25 H new ATOM 0 HD13 ILE A 8 5.174 -9.301 -8.806 1.00 0.25 H new ATOM 103 N PHE A 9 3.608 -3.746 -10.327 1.00 0.28 N ATOM 104 CA PHE A 9 2.671 -2.656 -10.157 1.00 0.34 C ATOM 105 C PHE A 9 1.812 -2.508 -11.402 1.00 0.46 C ATOM 106 O PHE A 9 2.256 -1.961 -12.409 1.00 0.52 O ATOM 107 CB PHE A 9 3.428 -1.362 -9.854 1.00 0.35 C ATOM 108 CG PHE A 9 2.567 -0.136 -9.719 1.00 0.40 C ATOM 109 CD1 PHE A 9 1.759 0.042 -8.611 1.00 0.40 C ATOM 110 CD2 PHE A 9 2.589 0.850 -10.692 1.00 0.50 C ATOM 111 CE1 PHE A 9 0.986 1.179 -8.475 1.00 0.45 C ATOM 112 CE2 PHE A 9 1.814 1.986 -10.564 1.00 0.56 C ATOM 113 CZ PHE A 9 1.013 2.151 -9.453 1.00 0.52 C ATOM 0 H PHE A 9 4.231 -3.651 -11.129 1.00 0.28 H new ATOM 0 HA PHE A 9 2.013 -2.873 -9.315 1.00 0.34 H new ATOM 0 HB2 PHE A 9 3.990 -1.496 -8.930 1.00 0.35 H new ATOM 0 HB3 PHE A 9 4.156 -1.191 -10.647 1.00 0.35 H new ATOM 0 HD1 PHE A 9 1.732 -0.717 -7.843 1.00 0.40 H new ATOM 0 HD2 PHE A 9 3.219 0.729 -11.561 1.00 0.50 H new ATOM 0 HE1 PHE A 9 0.361 1.307 -7.603 1.00 0.45 H new ATOM 0 HE2 PHE A 9 1.835 2.744 -11.333 1.00 0.56 H new ATOM 0 HZ PHE A 9 0.408 3.040 -9.349 1.00 0.52 H new ATOM 123 N GLU A 10 0.584 -3.011 -11.318 1.00 0.58 N ATOM 124 CA GLU A 10 -0.357 -2.996 -12.436 1.00 0.73 C ATOM 125 C GLU A 10 0.138 -3.880 -13.566 1.00 0.64 C ATOM 126 O GLU A 10 0.342 -3.430 -14.696 1.00 0.67 O ATOM 127 CB GLU A 10 -0.598 -1.581 -12.944 1.00 0.87 C ATOM 128 CG GLU A 10 -1.050 -0.624 -11.861 1.00 0.98 C ATOM 129 CD GLU A 10 -1.447 0.725 -12.413 1.00 1.21 C ATOM 130 OE1 GLU A 10 -0.601 1.382 -13.054 1.00 1.25 O ATOM 131 OE2 GLU A 10 -2.609 1.138 -12.209 1.00 1.46 O ATOM 0 H GLU A 10 0.212 -3.442 -10.472 1.00 0.58 H new ATOM 0 HA GLU A 10 -1.305 -3.389 -12.070 1.00 0.73 H new ATOM 0 HB2 GLU A 10 0.320 -1.203 -13.393 1.00 0.87 H new ATOM 0 HB3 GLU A 10 -1.351 -1.609 -13.732 1.00 0.87 H new ATOM 0 HG2 GLU A 10 -1.895 -1.058 -11.326 1.00 0.98 H new ATOM 0 HG3 GLU A 10 -0.247 -0.495 -11.136 1.00 0.98 H new ATOM 138 N LYS A 11 0.360 -5.139 -13.219 1.00 0.58 N ATOM 139 CA LYS A 11 0.649 -6.206 -14.182 1.00 0.55 C ATOM 140 C LYS A 11 2.058 -6.113 -14.778 1.00 0.49 C ATOM 141 O LYS A 11 2.489 -7.016 -15.494 1.00 0.56 O ATOM 142 CB LYS A 11 -0.403 -6.231 -15.290 1.00 0.65 C ATOM 143 CG LYS A 11 -1.813 -6.200 -14.738 1.00 0.74 C ATOM 144 CD LYS A 11 -2.143 -7.427 -13.933 1.00 1.29 C ATOM 145 CE LYS A 11 -3.308 -7.168 -13.006 1.00 1.32 C ATOM 146 NZ LYS A 11 -3.605 -8.336 -12.132 1.00 1.91 N ATOM 0 H LYS A 11 0.346 -5.458 -12.250 1.00 0.58 H new ATOM 0 HA LYS A 11 0.608 -7.143 -13.627 1.00 0.55 H new ATOM 0 HB2 LYS A 11 -0.254 -5.377 -15.950 1.00 0.65 H new ATOM 0 HB3 LYS A 11 -0.271 -7.128 -15.895 1.00 0.65 H new ATOM 0 HG2 LYS A 11 -1.936 -5.315 -14.113 1.00 0.74 H new ATOM 0 HG3 LYS A 11 -2.521 -6.109 -15.562 1.00 0.74 H new ATOM 0 HD2 LYS A 11 -2.383 -8.252 -14.603 1.00 1.29 H new ATOM 0 HD3 LYS A 11 -1.272 -7.731 -13.352 1.00 1.29 H new ATOM 0 HE2 LYS A 11 -3.089 -6.299 -12.385 1.00 1.32 H new ATOM 0 HE3 LYS A 11 -4.192 -6.924 -13.596 1.00 1.32 H new ATOM 0 HZ1 LYS A 11 -4.411 -8.111 -11.514 1.00 1.91 H new ATOM 0 HZ2 LYS A 11 -3.840 -9.160 -12.722 1.00 1.91 H new ATOM 0 HZ3 LYS A 11 -2.772 -8.554 -11.549 1.00 1.91 H new ATOM 160 N VAL A 12 2.771 -5.029 -14.499 1.00 0.44 N ATOM 161 CA VAL A 12 4.163 -4.919 -14.923 1.00 0.42 C ATOM 162 C VAL A 12 5.105 -5.178 -13.753 1.00 0.35 C ATOM 163 O VAL A 12 4.945 -4.611 -12.670 1.00 0.30 O ATOM 164 CB VAL A 12 4.492 -3.546 -15.571 1.00 0.47 C ATOM 165 CG1 VAL A 12 3.761 -2.410 -14.880 1.00 0.47 C ATOM 166 CG2 VAL A 12 5.992 -3.294 -15.536 1.00 0.46 C ATOM 0 H VAL A 12 2.415 -4.222 -13.987 1.00 0.44 H new ATOM 0 HA VAL A 12 4.311 -5.681 -15.688 1.00 0.42 H new ATOM 0 HB VAL A 12 4.154 -3.581 -16.607 1.00 0.47 H new ATOM 0 HG11 VAL A 12 4.017 -1.466 -15.362 1.00 0.47 H new ATOM 0 HG12 VAL A 12 2.686 -2.573 -14.950 1.00 0.47 H new ATOM 0 HG13 VAL A 12 4.055 -2.373 -13.831 1.00 0.47 H new ATOM 0 HG21 VAL A 12 6.210 -2.329 -15.993 1.00 0.46 H new ATOM 0 HG22 VAL A 12 6.337 -3.292 -14.502 1.00 0.46 H new ATOM 0 HG23 VAL A 12 6.506 -4.081 -16.088 1.00 0.46 H new ATOM 176 N SER A 13 6.074 -6.051 -13.979 1.00 0.35 N ATOM 177 CA SER A 13 7.060 -6.377 -12.968 1.00 0.30 C ATOM 178 C SER A 13 8.135 -5.300 -12.908 1.00 0.28 C ATOM 179 O SER A 13 8.686 -4.885 -13.933 1.00 0.40 O ATOM 180 CB SER A 13 7.681 -7.748 -13.251 1.00 0.34 C ATOM 181 OG SER A 13 8.557 -8.148 -12.209 1.00 1.02 O ATOM 0 H SER A 13 6.197 -6.548 -14.861 1.00 0.35 H new ATOM 0 HA SER A 13 6.564 -6.419 -11.998 1.00 0.30 H new ATOM 0 HB2 SER A 13 6.891 -8.489 -13.368 1.00 0.34 H new ATOM 0 HB3 SER A 13 8.227 -7.713 -14.194 1.00 0.34 H new ATOM 0 HG SER A 13 8.935 -9.027 -12.419 1.00 1.02 H new ATOM 187 N GLY A 14 8.415 -4.842 -11.705 1.00 0.16 N ATOM 188 CA GLY A 14 9.401 -3.818 -11.506 1.00 0.14 C ATOM 189 C GLY A 14 10.092 -3.955 -10.177 1.00 0.12 C ATOM 190 O GLY A 14 10.149 -5.046 -9.620 1.00 0.14 O ATOM 0 H GLY A 14 7.966 -5.170 -10.850 1.00 0.16 H new ATOM 0 HA2 GLY A 14 10.140 -3.865 -12.306 1.00 0.14 H new ATOM 0 HA3 GLY A 14 8.926 -2.839 -11.569 1.00 0.14 H new ATOM 194 N ILE A 15 10.624 -2.860 -9.669 1.00 0.11 N ATOM 195 CA ILE A 15 11.345 -2.876 -8.415 1.00 0.12 C ATOM 196 C ILE A 15 10.787 -1.838 -7.461 1.00 0.10 C ATOM 197 O ILE A 15 10.215 -0.852 -7.880 1.00 0.08 O ATOM 198 CB ILE A 15 12.848 -2.616 -8.612 1.00 0.15 C ATOM 199 CG1 ILE A 15 13.391 -3.413 -9.795 1.00 0.17 C ATOM 200 CG2 ILE A 15 13.630 -2.957 -7.354 1.00 0.17 C ATOM 201 CD1 ILE A 15 13.449 -4.908 -9.599 1.00 0.19 C ATOM 0 H ILE A 15 10.568 -1.942 -10.111 1.00 0.11 H new ATOM 0 HA ILE A 15 11.217 -3.873 -7.993 1.00 0.12 H new ATOM 0 HB ILE A 15 12.972 -1.554 -8.822 1.00 0.15 H new ATOM 0 HG12 ILE A 15 12.772 -3.202 -10.667 1.00 0.17 H new ATOM 0 HG13 ILE A 15 14.395 -3.055 -10.022 1.00 0.17 H new ATOM 0 HG21 ILE A 15 14.690 -2.764 -7.521 1.00 0.17 H new ATOM 0 HG22 ILE A 15 13.275 -2.342 -6.527 1.00 0.17 H new ATOM 0 HG23 ILE A 15 13.487 -4.010 -7.111 1.00 0.17 H new ATOM 0 HD11 ILE A 15 13.849 -5.378 -10.498 1.00 0.19 H new ATOM 0 HD12 ILE A 15 14.094 -5.139 -8.751 1.00 0.19 H new ATOM 0 HD13 ILE A 15 12.446 -5.289 -9.406 1.00 0.19 H new ATOM 213 N ILE A 16 10.952 -2.085 -6.187 1.00 0.13 N ATOM 214 CA ILE A 16 10.485 -1.189 -5.148 1.00 0.11 C ATOM 215 C ILE A 16 11.642 -0.824 -4.236 1.00 0.12 C ATOM 216 O ILE A 16 12.439 -1.682 -3.861 1.00 0.15 O ATOM 217 CB ILE A 16 9.341 -1.839 -4.334 1.00 0.12 C ATOM 218 CG1 ILE A 16 8.047 -1.077 -4.561 1.00 0.12 C ATOM 219 CG2 ILE A 16 9.655 -1.891 -2.840 1.00 0.13 C ATOM 220 CD1 ILE A 16 6.854 -1.715 -3.888 1.00 0.16 C ATOM 0 H ILE A 16 11.418 -2.920 -5.833 1.00 0.13 H new ATOM 0 HA ILE A 16 10.094 -0.284 -5.613 1.00 0.11 H new ATOM 0 HB ILE A 16 9.234 -2.866 -4.684 1.00 0.12 H new ATOM 0 HG12 ILE A 16 8.163 -0.058 -4.191 1.00 0.12 H new ATOM 0 HG13 ILE A 16 7.857 -1.007 -5.632 1.00 0.12 H new ATOM 0 HG21 ILE A 16 8.824 -2.355 -2.309 1.00 0.13 H new ATOM 0 HG22 ILE A 16 10.560 -2.476 -2.679 1.00 0.13 H new ATOM 0 HG23 ILE A 16 9.805 -0.879 -2.464 1.00 0.13 H new ATOM 0 HD11 ILE A 16 5.962 -1.122 -4.089 1.00 0.16 H new ATOM 0 HD12 ILE A 16 6.714 -2.724 -4.276 1.00 0.16 H new ATOM 0 HD13 ILE A 16 7.024 -1.760 -2.812 1.00 0.16 H new ATOM 232 N ALA A 17 11.772 0.449 -3.930 1.00 0.10 N ATOM 233 CA ALA A 17 12.790 0.884 -2.994 1.00 0.10 C ATOM 234 C ALA A 17 12.260 1.927 -2.019 1.00 0.08 C ATOM 235 O ALA A 17 12.002 3.068 -2.392 1.00 0.08 O ATOM 236 CB ALA A 17 14.002 1.398 -3.744 1.00 0.12 C ATOM 0 H ALA A 17 11.192 1.196 -4.311 1.00 0.10 H new ATOM 0 HA ALA A 17 13.088 0.022 -2.398 1.00 0.10 H new ATOM 0 HB1 ALA A 17 14.760 1.722 -3.031 1.00 0.12 H new ATOM 0 HB2 ALA A 17 14.408 0.602 -4.369 1.00 0.12 H new ATOM 0 HB3 ALA A 17 13.711 2.240 -4.372 1.00 0.12 H new ATOM 242 N ILE A 18 12.101 1.523 -0.771 1.00 0.08 N ATOM 243 CA ILE A 18 11.764 2.443 0.299 1.00 0.08 C ATOM 244 C ILE A 18 13.043 3.061 0.824 1.00 0.09 C ATOM 245 O ILE A 18 13.933 2.354 1.291 1.00 0.18 O ATOM 246 CB ILE A 18 11.075 1.775 1.502 1.00 0.10 C ATOM 247 CG1 ILE A 18 9.947 0.848 1.054 1.00 0.12 C ATOM 248 CG2 ILE A 18 10.554 2.850 2.456 1.00 0.13 C ATOM 249 CD1 ILE A 18 10.385 -0.579 0.860 1.00 0.12 C ATOM 0 H ILE A 18 12.201 0.553 -0.472 1.00 0.08 H new ATOM 0 HA ILE A 18 11.073 3.168 -0.130 1.00 0.08 H new ATOM 0 HB ILE A 18 11.807 1.160 2.025 1.00 0.10 H new ATOM 0 HG12 ILE A 18 9.148 0.877 1.794 1.00 0.12 H new ATOM 0 HG13 ILE A 18 9.529 1.222 0.119 1.00 0.12 H new ATOM 0 HG21 ILE A 18 10.066 2.375 3.307 1.00 0.13 H new ATOM 0 HG22 ILE A 18 11.387 3.459 2.808 1.00 0.13 H new ATOM 0 HG23 ILE A 18 9.837 3.483 1.934 1.00 0.13 H new ATOM 0 HD11 ILE A 18 9.534 -1.181 0.542 1.00 0.12 H new ATOM 0 HD12 ILE A 18 11.163 -0.620 0.098 1.00 0.12 H new ATOM 0 HD13 ILE A 18 10.776 -0.971 1.799 1.00 0.12 H new ATOM 261 N ASN A 19 13.145 4.359 0.747 1.00 0.13 N ATOM 262 CA ASN A 19 14.318 5.045 1.236 1.00 0.18 C ATOM 263 C ASN A 19 13.920 6.083 2.238 1.00 0.20 C ATOM 264 O ASN A 19 13.088 6.938 1.943 1.00 0.21 O ATOM 265 CB ASN A 19 15.079 5.689 0.070 1.00 0.22 C ATOM 266 CG ASN A 19 15.979 6.834 0.505 1.00 0.43 C ATOM 267 OD1 ASN A 19 15.461 8.054 0.424 1.00 1.12 O flip ATOM 268 ND2 ASN A 19 17.128 6.629 0.894 1.00 0.29 N flip ATOM 0 H ASN A 19 12.430 4.968 0.350 1.00 0.13 H new ATOM 0 HA ASN A 19 14.976 4.324 1.721 1.00 0.18 H new ATOM 0 HB2 ASN A 19 15.682 4.929 -0.426 1.00 0.22 H new ATOM 0 HB3 ASN A 19 14.363 6.057 -0.665 1.00 0.22 H new ATOM 0 HD21 ASN A 19 17.488 5.676 0.941 1.00 0.29 H new ATOM 0 HD22 ASN A 19 17.721 7.412 1.169 1.00 0.29 H new ATOM 275 N GLU A 20 14.471 6.016 3.439 1.00 0.24 N ATOM 276 CA GLU A 20 14.350 7.165 4.277 1.00 0.28 C ATOM 277 C GLU A 20 15.726 7.810 4.377 1.00 0.34 C ATOM 278 O GLU A 20 16.486 7.569 5.313 1.00 0.40 O ATOM 279 CB GLU A 20 13.910 6.725 5.676 1.00 0.33 C ATOM 280 CG GLU A 20 12.779 5.716 5.679 1.00 0.33 C ATOM 281 CD GLU A 20 12.719 4.921 6.966 1.00 0.55 C ATOM 282 OE1 GLU A 20 12.524 5.533 8.037 1.00 0.70 O ATOM 283 OE2 GLU A 20 12.880 3.680 6.913 1.00 0.74 O ATOM 0 H GLU A 20 14.977 5.220 3.827 1.00 0.24 H new ATOM 0 HA GLU A 20 13.619 7.863 3.868 1.00 0.28 H new ATOM 0 HB2 GLU A 20 14.766 6.297 6.197 1.00 0.33 H new ATOM 0 HB3 GLU A 20 13.600 7.604 6.241 1.00 0.33 H new ATOM 0 HG2 GLU A 20 11.832 6.235 5.531 1.00 0.33 H new ATOM 0 HG3 GLU A 20 12.903 5.033 4.839 1.00 0.33 H new ATOM 290 N ASP A 21 16.034 8.613 3.380 1.00 0.35 N ATOM 291 CA ASP A 21 17.011 9.685 3.447 1.00 0.41 C ATOM 292 C ASP A 21 16.286 10.960 3.078 1.00 0.41 C ATOM 293 O ASP A 21 16.762 12.081 3.255 1.00 0.46 O ATOM 294 CB ASP A 21 18.177 9.403 2.492 1.00 0.44 C ATOM 295 CG ASP A 21 19.126 10.574 2.348 1.00 0.51 C ATOM 296 OD1 ASP A 21 20.038 10.716 3.192 1.00 0.59 O ATOM 297 OD2 ASP A 21 18.969 11.352 1.381 1.00 0.53 O ATOM 0 H ASP A 21 15.594 8.535 2.463 1.00 0.35 H new ATOM 0 HA ASP A 21 17.440 9.772 4.445 1.00 0.41 H new ATOM 0 HB2 ASP A 21 18.731 8.536 2.852 1.00 0.44 H new ATOM 0 HB3 ASP A 21 17.780 9.143 1.511 1.00 0.44 H new ATOM 302 N VAL A 22 15.082 10.725 2.587 1.00 0.35 N ATOM 303 CA VAL A 22 14.376 11.638 1.708 1.00 0.33 C ATOM 304 C VAL A 22 13.309 12.440 2.460 1.00 0.31 C ATOM 305 O VAL A 22 13.096 12.230 3.658 1.00 0.30 O ATOM 306 CB VAL A 22 13.711 10.753 0.610 1.00 0.30 C ATOM 307 CG1 VAL A 22 12.675 9.838 1.232 1.00 0.25 C ATOM 308 CG2 VAL A 22 13.088 11.545 -0.523 1.00 0.32 C ATOM 0 H VAL A 22 14.557 9.875 2.793 1.00 0.35 H new ATOM 0 HA VAL A 22 15.065 12.368 1.283 1.00 0.33 H new ATOM 0 HB VAL A 22 14.516 10.167 0.167 1.00 0.30 H new ATOM 0 HG11 VAL A 22 12.218 9.225 0.455 1.00 0.25 H new ATOM 0 HG12 VAL A 22 13.155 9.193 1.968 1.00 0.25 H new ATOM 0 HG13 VAL A 22 11.907 10.437 1.721 1.00 0.25 H new ATOM 0 HG21 VAL A 22 12.646 10.859 -1.246 1.00 0.32 H new ATOM 0 HG22 VAL A 22 12.314 12.201 -0.125 1.00 0.32 H new ATOM 0 HG23 VAL A 22 13.855 12.144 -1.013 1.00 0.32 H new ATOM 318 N SER A 23 12.678 13.378 1.753 1.00 0.32 N ATOM 319 CA SER A 23 11.466 14.046 2.225 1.00 0.28 C ATOM 320 C SER A 23 10.473 12.931 2.557 1.00 0.18 C ATOM 321 O SER A 23 10.693 11.825 2.079 1.00 0.16 O ATOM 322 CB SER A 23 10.936 14.987 1.128 1.00 0.35 C ATOM 323 OG SER A 23 10.235 16.095 1.675 1.00 1.31 O ATOM 0 H SER A 23 12.993 13.696 0.837 1.00 0.32 H new ATOM 0 HA SER A 23 11.643 14.664 3.105 1.00 0.28 H new ATOM 0 HB2 SER A 23 11.769 15.347 0.524 1.00 0.35 H new ATOM 0 HB3 SER A 23 10.275 14.432 0.462 1.00 0.35 H new ATOM 0 HG SER A 23 9.915 16.670 0.949 1.00 1.31 H new ATOM 329 N PRO A 24 9.352 13.155 3.288 1.00 0.16 N ATOM 330 CA PRO A 24 8.745 12.093 4.114 1.00 0.16 C ATOM 331 C PRO A 24 8.751 10.752 3.400 1.00 0.15 C ATOM 332 O PRO A 24 8.255 10.643 2.277 1.00 0.22 O ATOM 333 CB PRO A 24 7.301 12.585 4.296 1.00 0.21 C ATOM 334 CG PRO A 24 7.150 13.705 3.324 1.00 0.19 C ATOM 335 CD PRO A 24 8.503 14.346 3.280 1.00 0.17 C ATOM 0 HA PRO A 24 9.283 11.932 5.048 1.00 0.16 H new ATOM 0 HB2 PRO A 24 6.584 11.789 4.095 1.00 0.21 H new ATOM 0 HB3 PRO A 24 7.125 12.922 5.317 1.00 0.21 H new ATOM 0 HG2 PRO A 24 6.851 13.340 2.341 1.00 0.19 H new ATOM 0 HG3 PRO A 24 6.386 14.412 3.648 1.00 0.19 H new ATOM 0 HD2 PRO A 24 8.647 14.954 2.387 1.00 0.17 H new ATOM 0 HD3 PRO A 24 8.685 14.993 4.138 1.00 0.17 H new ATOM 343 N ALA A 25 9.284 9.744 4.118 1.00 0.15 N ATOM 344 CA ALA A 25 9.841 8.518 3.522 1.00 0.14 C ATOM 345 C ALA A 25 9.188 8.124 2.222 1.00 0.14 C ATOM 346 O ALA A 25 7.965 8.059 2.108 1.00 0.18 O ATOM 347 CB ALA A 25 9.787 7.353 4.479 1.00 0.20 C ATOM 0 H ALA A 25 9.340 9.760 5.136 1.00 0.15 H new ATOM 0 HA ALA A 25 10.880 8.765 3.305 1.00 0.14 H new ATOM 0 HB1 ALA A 25 10.208 6.469 4.000 1.00 0.20 H new ATOM 0 HB2 ALA A 25 10.363 7.590 5.373 1.00 0.20 H new ATOM 0 HB3 ALA A 25 8.751 7.157 4.756 1.00 0.20 H new ATOM 353 N GLU A 26 10.021 7.797 1.267 1.00 0.14 N ATOM 354 CA GLU A 26 9.567 7.581 -0.074 1.00 0.15 C ATOM 355 C GLU A 26 9.937 6.188 -0.556 1.00 0.11 C ATOM 356 O GLU A 26 11.065 5.725 -0.388 1.00 0.13 O ATOM 357 CB GLU A 26 10.092 8.666 -1.042 1.00 0.27 C ATOM 358 CG GLU A 26 9.262 9.943 -1.017 1.00 0.66 C ATOM 359 CD GLU A 26 9.752 10.996 -1.997 1.00 0.71 C ATOM 360 OE1 GLU A 26 9.767 10.728 -3.217 1.00 1.26 O ATOM 361 OE2 GLU A 26 10.097 12.113 -1.559 1.00 1.14 O ATOM 0 H GLU A 26 11.025 7.675 1.400 1.00 0.14 H new ATOM 0 HA GLU A 26 8.480 7.658 -0.066 1.00 0.15 H new ATOM 0 HB2 GLU A 26 11.124 8.906 -0.784 1.00 0.27 H new ATOM 0 HB3 GLU A 26 10.101 8.266 -2.056 1.00 0.27 H new ATOM 0 HG2 GLU A 26 8.225 9.699 -1.245 1.00 0.66 H new ATOM 0 HG3 GLU A 26 9.277 10.359 -0.010 1.00 0.66 H new ATOM 368 N LEU A 27 8.955 5.532 -1.133 1.00 0.10 N ATOM 369 CA LEU A 27 9.134 4.259 -1.796 1.00 0.09 C ATOM 370 C LEU A 27 9.187 4.551 -3.266 1.00 0.09 C ATOM 371 O LEU A 27 8.466 5.405 -3.743 1.00 0.13 O ATOM 372 CB LEU A 27 7.944 3.337 -1.479 1.00 0.11 C ATOM 373 CG LEU A 27 7.761 2.084 -2.361 1.00 0.10 C ATOM 374 CD1 LEU A 27 6.814 1.133 -1.680 1.00 0.15 C ATOM 375 CD2 LEU A 27 7.192 2.417 -3.741 1.00 0.11 C ATOM 0 H LEU A 27 7.994 5.873 -1.155 1.00 0.10 H new ATOM 0 HA LEU A 27 10.043 3.758 -1.463 1.00 0.09 H new ATOM 0 HB2 LEU A 27 8.039 3.009 -0.444 1.00 0.11 H new ATOM 0 HB3 LEU A 27 7.032 3.930 -1.543 1.00 0.11 H new ATOM 0 HG LEU A 27 8.747 1.640 -2.497 1.00 0.10 H new ATOM 0 HD11 LEU A 27 6.681 0.246 -2.299 1.00 0.15 H new ATOM 0 HD12 LEU A 27 7.223 0.842 -0.713 1.00 0.15 H new ATOM 0 HD13 LEU A 27 5.850 1.621 -1.534 1.00 0.15 H new ATOM 0 HD21 LEU A 27 7.083 1.500 -4.321 1.00 0.11 H new ATOM 0 HD22 LEU A 27 6.218 2.892 -3.628 1.00 0.11 H new ATOM 0 HD23 LEU A 27 7.869 3.096 -4.260 1.00 0.11 H new ATOM 387 N THR A 28 10.012 3.856 -3.988 1.00 0.08 N ATOM 388 CA THR A 28 10.117 4.117 -5.394 1.00 0.09 C ATOM 389 C THR A 28 9.997 2.833 -6.181 1.00 0.08 C ATOM 390 O THR A 28 10.873 1.972 -6.123 1.00 0.10 O ATOM 391 CB THR A 28 11.430 4.831 -5.743 1.00 0.14 C ATOM 392 OG1 THR A 28 11.609 5.979 -4.900 1.00 0.21 O ATOM 393 CG2 THR A 28 11.405 5.268 -7.190 1.00 0.14 C ATOM 0 H THR A 28 10.616 3.113 -3.635 1.00 0.08 H new ATOM 0 HA THR A 28 9.295 4.780 -5.666 1.00 0.09 H new ATOM 0 HB THR A 28 12.258 4.140 -5.585 1.00 0.14 H new ATOM 0 HG1 THR A 28 12.450 6.426 -5.130 1.00 0.21 H new ATOM 0 HG21 THR A 28 12.339 5.774 -7.433 1.00 0.14 H new ATOM 0 HG22 THR A 28 11.288 4.395 -7.832 1.00 0.14 H new ATOM 0 HG23 THR A 28 10.570 5.950 -7.350 1.00 0.14 H new ATOM 401 N TRP A 29 8.888 2.691 -6.885 1.00 0.08 N ATOM 402 CA TRP A 29 8.721 1.557 -7.767 1.00 0.08 C ATOM 403 C TRP A 29 9.333 1.877 -9.113 1.00 0.08 C ATOM 404 O TRP A 29 8.796 2.649 -9.893 1.00 0.12 O ATOM 405 CB TRP A 29 7.253 1.178 -7.937 1.00 0.11 C ATOM 406 CG TRP A 29 7.053 -0.025 -8.816 1.00 0.11 C ATOM 407 CD1 TRP A 29 7.169 -1.337 -8.455 1.00 0.13 C ATOM 408 CD2 TRP A 29 6.706 -0.025 -10.206 1.00 0.14 C ATOM 409 NE1 TRP A 29 6.920 -2.148 -9.535 1.00 0.14 N ATOM 410 CE2 TRP A 29 6.634 -1.367 -10.619 1.00 0.14 C ATOM 411 CE3 TRP A 29 6.446 0.981 -11.139 1.00 0.19 C ATOM 412 CZ2 TRP A 29 6.317 -1.728 -11.925 1.00 0.19 C ATOM 413 CZ3 TRP A 29 6.133 0.620 -12.433 1.00 0.24 C ATOM 414 CH2 TRP A 29 6.069 -0.724 -12.815 1.00 0.24 C ATOM 0 H TRP A 29 8.101 3.339 -6.862 1.00 0.08 H new ATOM 0 HA TRP A 29 9.227 0.702 -7.319 1.00 0.08 H new ATOM 0 HB2 TRP A 29 6.819 0.981 -6.957 1.00 0.11 H new ATOM 0 HB3 TRP A 29 6.712 2.024 -8.361 1.00 0.11 H new ATOM 0 HD1 TRP A 29 7.420 -1.686 -7.464 1.00 0.13 H new ATOM 0 HE1 TRP A 29 6.945 -3.168 -9.529 1.00 0.14 H new ATOM 0 HE3 TRP A 29 6.489 2.022 -10.853 1.00 0.19 H new ATOM 0 HZ2 TRP A 29 6.269 -2.765 -12.223 1.00 0.19 H new ATOM 0 HZ3 TRP A 29 5.934 1.389 -13.165 1.00 0.24 H new ATOM 0 HH2 TRP A 29 5.818 -0.972 -13.836 1.00 0.24 H new ATOM 425 N ARG A 30 10.465 1.280 -9.357 1.00 0.10 N ATOM 426 CA ARG A 30 11.190 1.468 -10.585 1.00 0.12 C ATOM 427 C ARG A 30 11.187 0.160 -11.359 1.00 0.13 C ATOM 428 O ARG A 30 11.759 -0.825 -10.905 1.00 0.15 O ATOM 429 CB ARG A 30 12.612 1.924 -10.255 1.00 0.15 C ATOM 430 CG ARG A 30 13.539 1.980 -11.449 1.00 0.21 C ATOM 431 CD ARG A 30 14.408 0.737 -11.525 1.00 0.32 C ATOM 432 NE ARG A 30 15.246 0.724 -12.723 1.00 0.33 N ATOM 433 CZ ARG A 30 15.932 -0.335 -13.150 1.00 0.47 C ATOM 434 NH1 ARG A 30 15.888 -1.480 -12.478 1.00 0.87 N ATOM 435 NH2 ARG A 30 16.672 -0.244 -14.247 1.00 0.51 N ATOM 0 H ARG A 30 10.917 0.641 -8.702 1.00 0.10 H new ATOM 0 HA ARG A 30 10.722 2.234 -11.204 1.00 0.12 H new ATOM 0 HB2 ARG A 30 12.567 2.912 -9.797 1.00 0.15 H new ATOM 0 HB3 ARG A 30 13.035 1.248 -9.512 1.00 0.15 H new ATOM 0 HG2 ARG A 30 12.954 2.075 -12.364 1.00 0.21 H new ATOM 0 HG3 ARG A 30 14.171 2.866 -11.382 1.00 0.21 H new ATOM 0 HD2 ARG A 30 15.041 0.683 -10.640 1.00 0.32 H new ATOM 0 HD3 ARG A 30 13.774 -0.149 -11.517 1.00 0.32 H new ATOM 0 HE ARG A 30 15.310 1.584 -13.268 1.00 0.33 H new ATOM 0 HH11 ARG A 30 15.326 -1.552 -11.630 1.00 0.87 H new ATOM 0 HH12 ARG A 30 16.416 -2.287 -12.811 1.00 0.87 H new ATOM 0 HH21 ARG A 30 16.715 0.636 -14.762 1.00 0.51 H new ATOM 0 HH22 ARG A 30 17.198 -1.054 -14.576 1.00 0.51 H new ATOM 449 N SER A 31 10.530 0.144 -12.513 1.00 0.16 N ATOM 450 CA SER A 31 10.366 -1.080 -13.274 1.00 0.18 C ATOM 451 C SER A 31 11.718 -1.682 -13.606 1.00 0.20 C ATOM 452 O SER A 31 12.707 -0.978 -13.774 1.00 0.24 O ATOM 453 CB SER A 31 9.558 -0.827 -14.551 1.00 0.28 C ATOM 454 OG SER A 31 10.261 -0.005 -15.469 1.00 0.75 O ATOM 0 H SER A 31 10.104 0.967 -12.939 1.00 0.16 H new ATOM 0 HA SER A 31 9.812 -1.791 -12.661 1.00 0.18 H new ATOM 0 HB2 SER A 31 9.321 -1.779 -15.025 1.00 0.28 H new ATOM 0 HB3 SER A 31 8.610 -0.355 -14.293 1.00 0.28 H new ATOM 0 HG SER A 31 9.836 -0.061 -16.350 1.00 0.75 H new ATOM 460 N THR A 32 11.730 -3.006 -13.662 1.00 0.20 N ATOM 461 CA THR A 32 12.945 -3.795 -13.854 1.00 0.26 C ATOM 462 C THR A 32 13.757 -3.329 -15.071 1.00 0.30 C ATOM 463 O THR A 32 14.973 -3.509 -15.116 1.00 0.38 O ATOM 464 CB THR A 32 12.577 -5.284 -14.009 1.00 0.31 C ATOM 465 OG1 THR A 32 11.688 -5.661 -12.950 1.00 0.31 O ATOM 466 CG2 THR A 32 13.807 -6.176 -13.971 1.00 0.39 C ATOM 0 H THR A 32 10.887 -3.573 -13.575 1.00 0.20 H new ATOM 0 HA THR A 32 13.571 -3.653 -12.973 1.00 0.26 H new ATOM 0 HB THR A 32 12.097 -5.414 -14.979 1.00 0.31 H new ATOM 0 HG1 THR A 32 11.449 -6.607 -13.044 1.00 0.31 H new ATOM 0 HG21 THR A 32 13.505 -7.217 -14.083 1.00 0.39 H new ATOM 0 HG22 THR A 32 14.479 -5.903 -14.784 1.00 0.39 H new ATOM 0 HG23 THR A 32 14.320 -6.048 -13.018 1.00 0.39 H new ATOM 474 N ASP A 33 13.080 -2.731 -16.048 1.00 0.32 N ATOM 475 CA ASP A 33 13.747 -2.218 -17.245 1.00 0.39 C ATOM 476 C ASP A 33 14.226 -0.782 -17.039 1.00 0.37 C ATOM 477 O ASP A 33 15.219 -0.356 -17.626 1.00 0.44 O ATOM 478 CB ASP A 33 12.801 -2.284 -18.445 1.00 0.52 C ATOM 479 CG ASP A 33 13.389 -1.660 -19.696 1.00 1.60 C ATOM 480 OD1 ASP A 33 14.167 -2.339 -20.393 1.00 2.07 O ATOM 481 OD2 ASP A 33 13.089 -0.481 -19.979 1.00 2.33 O ATOM 0 H ASP A 33 12.070 -2.589 -16.036 1.00 0.32 H new ATOM 0 HA ASP A 33 14.618 -2.844 -17.438 1.00 0.39 H new ATOM 0 HB2 ASP A 33 12.552 -3.326 -18.648 1.00 0.52 H new ATOM 0 HB3 ASP A 33 11.870 -1.776 -18.195 1.00 0.52 H new ATOM 486 N GLY A 34 13.531 -0.054 -16.176 1.00 0.36 N ATOM 487 CA GLY A 34 13.871 1.332 -15.925 1.00 0.37 C ATOM 488 C GLY A 34 12.992 2.290 -16.700 1.00 0.42 C ATOM 489 O GLY A 34 13.322 3.468 -16.849 1.00 0.55 O ATOM 0 H GLY A 34 12.734 -0.401 -15.643 1.00 0.36 H new ATOM 0 HA2 GLY A 34 13.778 1.539 -14.859 1.00 0.37 H new ATOM 0 HA3 GLY A 34 14.914 1.502 -16.193 1.00 0.37 H new ATOM 493 N ASP A 35 11.864 1.788 -17.181 1.00 0.45 N ATOM 494 CA ASP A 35 10.956 2.583 -17.996 1.00 0.55 C ATOM 495 C ASP A 35 9.930 3.299 -17.134 1.00 0.46 C ATOM 496 O ASP A 35 9.536 4.429 -17.423 1.00 0.74 O ATOM 497 CB ASP A 35 10.252 1.699 -19.020 1.00 0.73 C ATOM 498 CG ASP A 35 9.183 2.440 -19.798 1.00 0.89 C ATOM 499 OD1 ASP A 35 9.535 3.295 -20.641 1.00 1.13 O ATOM 500 OD2 ASP A 35 7.984 2.169 -19.575 1.00 0.92 O ATOM 0 H ASP A 35 11.554 0.830 -17.020 1.00 0.45 H new ATOM 0 HA ASP A 35 11.546 3.335 -18.520 1.00 0.55 H new ATOM 0 HB2 ASP A 35 10.989 1.298 -19.716 1.00 0.73 H new ATOM 0 HB3 ASP A 35 9.800 0.849 -18.510 1.00 0.73 H new ATOM 505 N LYS A 36 9.509 2.647 -16.066 1.00 0.34 N ATOM 506 CA LYS A 36 8.488 3.202 -15.196 1.00 0.34 C ATOM 507 C LYS A 36 9.019 3.410 -13.798 1.00 0.27 C ATOM 508 O LYS A 36 9.788 2.600 -13.282 1.00 0.34 O ATOM 509 CB LYS A 36 7.267 2.295 -15.147 1.00 0.55 C ATOM 510 CG LYS A 36 6.541 2.196 -16.460 1.00 0.92 C ATOM 511 CD LYS A 36 5.932 0.818 -16.624 1.00 0.90 C ATOM 512 CE LYS A 36 4.896 0.785 -17.734 1.00 1.25 C ATOM 513 NZ LYS A 36 5.486 1.115 -19.060 1.00 2.03 N ATOM 0 H LYS A 36 9.858 1.732 -15.780 1.00 0.34 H new ATOM 0 HA LYS A 36 8.198 4.168 -15.608 1.00 0.34 H new ATOM 0 HB2 LYS A 36 7.577 1.297 -14.836 1.00 0.55 H new ATOM 0 HB3 LYS A 36 6.579 2.666 -14.387 1.00 0.55 H new ATOM 0 HG2 LYS A 36 5.759 2.954 -16.509 1.00 0.92 H new ATOM 0 HG3 LYS A 36 7.231 2.396 -17.280 1.00 0.92 H new ATOM 0 HD2 LYS A 36 6.720 0.097 -16.841 1.00 0.90 H new ATOM 0 HD3 LYS A 36 5.469 0.512 -15.686 1.00 0.90 H new ATOM 0 HE2 LYS A 36 4.442 -0.205 -17.776 1.00 1.25 H new ATOM 0 HE3 LYS A 36 4.099 1.492 -17.506 1.00 1.25 H new ATOM 0 HZ1 LYS A 36 4.973 1.917 -19.478 1.00 2.03 H new ATOM 0 HZ2 LYS A 36 6.487 1.369 -18.941 1.00 2.03 H new ATOM 0 HZ3 LYS A 36 5.411 0.290 -19.689 1.00 2.03 H new ATOM 527 N VAL A 37 8.597 4.502 -13.201 1.00 0.22 N ATOM 528 CA VAL A 37 8.975 4.847 -11.840 1.00 0.21 C ATOM 529 C VAL A 37 7.786 5.470 -11.114 1.00 0.22 C ATOM 530 O VAL A 37 7.284 6.520 -11.512 1.00 0.32 O ATOM 531 CB VAL A 37 10.171 5.832 -11.803 1.00 0.22 C ATOM 532 CG1 VAL A 37 10.442 6.300 -10.384 1.00 0.54 C ATOM 533 CG2 VAL A 37 11.423 5.194 -12.390 1.00 0.55 C ATOM 0 H VAL A 37 7.979 5.182 -13.644 1.00 0.22 H new ATOM 0 HA VAL A 37 9.280 3.927 -11.342 1.00 0.21 H new ATOM 0 HB VAL A 37 9.906 6.697 -12.411 1.00 0.22 H new ATOM 0 HG11 VAL A 37 11.286 6.990 -10.383 1.00 0.54 H new ATOM 0 HG12 VAL A 37 9.559 6.806 -9.993 1.00 0.54 H new ATOM 0 HG13 VAL A 37 10.676 5.440 -9.756 1.00 0.54 H new ATOM 0 HG21 VAL A 37 12.247 5.907 -12.352 1.00 0.55 H new ATOM 0 HG22 VAL A 37 11.684 4.307 -11.813 1.00 0.55 H new ATOM 0 HG23 VAL A 37 11.236 4.911 -13.426 1.00 0.55 H new ATOM 543 N HIS A 38 7.328 4.805 -10.066 1.00 0.17 N ATOM 544 CA HIS A 38 6.219 5.293 -9.266 1.00 0.19 C ATOM 545 C HIS A 38 6.645 5.419 -7.811 1.00 0.17 C ATOM 546 O HIS A 38 6.837 4.416 -7.126 1.00 0.17 O ATOM 547 CB HIS A 38 5.038 4.338 -9.366 1.00 0.25 C ATOM 548 CG HIS A 38 3.754 4.912 -8.845 1.00 0.41 C ATOM 549 ND1 HIS A 38 2.751 5.376 -9.664 1.00 0.52 N ATOM 550 CD2 HIS A 38 3.319 5.108 -7.579 1.00 0.56 C ATOM 551 CE1 HIS A 38 1.758 5.833 -8.929 1.00 0.67 C ATOM 552 NE2 HIS A 38 2.074 5.686 -7.653 1.00 0.69 N ATOM 0 H HIS A 38 7.713 3.916 -9.748 1.00 0.17 H new ATOM 0 HA HIS A 38 5.921 6.271 -9.643 1.00 0.19 H new ATOM 0 HB2 HIS A 38 4.901 4.051 -10.409 1.00 0.25 H new ATOM 0 HB3 HIS A 38 5.270 3.428 -8.813 1.00 0.25 H new ATOM 0 HD2 HIS A 38 3.853 4.856 -6.675 1.00 0.56 H new ATOM 0 HE1 HIS A 38 0.839 6.257 -9.306 1.00 0.67 H new ATOM 0 HE2 HIS A 38 1.493 5.956 -6.859 1.00 0.69 H new ATOM 561 N THR A 39 6.776 6.638 -7.336 1.00 0.18 N ATOM 562 CA THR A 39 7.244 6.865 -5.986 1.00 0.17 C ATOM 563 C THR A 39 6.067 7.112 -5.022 1.00 0.19 C ATOM 564 O THR A 39 5.123 7.828 -5.356 1.00 0.30 O ATOM 565 CB THR A 39 8.208 8.064 -5.942 1.00 0.22 C ATOM 566 OG1 THR A 39 9.269 7.867 -6.889 1.00 0.23 O ATOM 567 CG2 THR A 39 8.794 8.226 -4.553 1.00 0.23 C ATOM 0 H THR A 39 6.566 7.486 -7.863 1.00 0.18 H new ATOM 0 HA THR A 39 7.773 5.967 -5.666 1.00 0.17 H new ATOM 0 HB THR A 39 7.652 8.966 -6.196 1.00 0.22 H new ATOM 0 HG1 THR A 39 9.880 8.633 -6.860 1.00 0.23 H new ATOM 0 HG21 THR A 39 9.473 9.079 -4.542 1.00 0.23 H new ATOM 0 HG22 THR A 39 7.990 8.393 -3.836 1.00 0.23 H new ATOM 0 HG23 THR A 39 9.341 7.323 -4.281 1.00 0.23 H new ATOM 575 N VAL A 40 6.129 6.504 -3.839 1.00 0.13 N ATOM 576 CA VAL A 40 5.102 6.668 -2.812 1.00 0.18 C ATOM 577 C VAL A 40 5.631 7.461 -1.611 1.00 0.11 C ATOM 578 O VAL A 40 6.689 7.137 -1.073 1.00 0.11 O ATOM 579 CB VAL A 40 4.617 5.293 -2.310 1.00 0.30 C ATOM 580 CG1 VAL A 40 3.814 5.437 -1.037 1.00 0.47 C ATOM 581 CG2 VAL A 40 3.792 4.586 -3.364 1.00 0.66 C ATOM 0 H VAL A 40 6.892 5.884 -3.565 1.00 0.13 H new ATOM 0 HA VAL A 40 4.277 7.215 -3.269 1.00 0.18 H new ATOM 0 HB VAL A 40 5.501 4.690 -2.101 1.00 0.30 H new ATOM 0 HG11 VAL A 40 3.483 4.454 -0.702 1.00 0.47 H new ATOM 0 HG12 VAL A 40 4.434 5.893 -0.265 1.00 0.47 H new ATOM 0 HG13 VAL A 40 2.945 6.068 -1.224 1.00 0.47 H new ATOM 0 HG21 VAL A 40 3.464 3.619 -2.982 1.00 0.66 H new ATOM 0 HG22 VAL A 40 2.921 5.193 -3.612 1.00 0.66 H new ATOM 0 HG23 VAL A 40 4.396 4.436 -4.259 1.00 0.66 H new ATOM 591 N VAL A 41 4.893 8.490 -1.193 1.00 0.10 N ATOM 592 CA VAL A 41 5.222 9.226 0.019 1.00 0.10 C ATOM 593 C VAL A 41 4.498 8.606 1.204 1.00 0.08 C ATOM 594 O VAL A 41 3.285 8.735 1.349 1.00 0.09 O ATOM 595 CB VAL A 41 4.858 10.725 -0.087 1.00 0.13 C ATOM 596 CG1 VAL A 41 5.262 11.475 1.181 1.00 0.14 C ATOM 597 CG2 VAL A 41 5.519 11.342 -1.309 1.00 0.18 C ATOM 0 H VAL A 41 4.063 8.830 -1.679 1.00 0.10 H new ATOM 0 HA VAL A 41 6.301 9.161 0.159 1.00 0.10 H new ATOM 0 HB VAL A 41 3.777 10.809 -0.197 1.00 0.13 H new ATOM 0 HG11 VAL A 41 4.996 12.527 1.082 1.00 0.14 H new ATOM 0 HG12 VAL A 41 4.741 11.048 2.038 1.00 0.14 H new ATOM 0 HG13 VAL A 41 6.338 11.386 1.329 1.00 0.14 H new ATOM 0 HG21 VAL A 41 5.254 12.398 -1.372 1.00 0.18 H new ATOM 0 HG22 VAL A 41 6.601 11.243 -1.226 1.00 0.18 H new ATOM 0 HG23 VAL A 41 5.176 10.828 -2.207 1.00 0.18 H new ATOM 607 N LEU A 42 5.263 7.944 2.038 1.00 0.08 N ATOM 608 CA LEU A 42 4.752 7.240 3.215 1.00 0.09 C ATOM 609 C LEU A 42 3.957 8.154 4.144 1.00 0.10 C ATOM 610 O LEU A 42 3.066 7.696 4.847 1.00 0.12 O ATOM 611 CB LEU A 42 5.902 6.607 3.995 1.00 0.10 C ATOM 612 CG LEU A 42 6.442 5.280 3.449 1.00 0.10 C ATOM 613 CD1 LEU A 42 5.531 4.152 3.882 1.00 0.12 C ATOM 614 CD2 LEU A 42 6.575 5.290 1.931 1.00 0.10 C ATOM 0 H LEU A 42 6.274 7.871 1.927 1.00 0.08 H new ATOM 0 HA LEU A 42 4.076 6.467 2.849 1.00 0.09 H new ATOM 0 HB2 LEU A 42 6.724 7.322 4.033 1.00 0.10 H new ATOM 0 HB3 LEU A 42 5.572 6.446 5.021 1.00 0.10 H new ATOM 0 HG LEU A 42 7.442 5.134 3.857 1.00 0.10 H new ATOM 0 HD11 LEU A 42 5.913 3.207 3.495 1.00 0.12 H new ATOM 0 HD12 LEU A 42 5.495 4.110 4.971 1.00 0.12 H new ATOM 0 HD13 LEU A 42 4.528 4.325 3.493 1.00 0.12 H new ATOM 0 HD21 LEU A 42 6.961 4.328 1.593 1.00 0.10 H new ATOM 0 HD22 LEU A 42 5.598 5.467 1.481 1.00 0.10 H new ATOM 0 HD23 LEU A 42 7.261 6.082 1.631 1.00 0.10 H new ATOM 626 N SER A 43 4.276 9.442 4.152 1.00 0.12 N ATOM 627 CA SER A 43 3.562 10.371 5.019 1.00 0.15 C ATOM 628 C SER A 43 2.169 10.651 4.469 1.00 0.14 C ATOM 629 O SER A 43 1.231 10.898 5.226 1.00 0.17 O ATOM 630 CB SER A 43 4.329 11.674 5.185 1.00 0.20 C ATOM 631 OG SER A 43 3.689 12.536 6.109 1.00 1.06 O ATOM 0 H SER A 43 5.009 9.861 3.580 1.00 0.12 H new ATOM 0 HA SER A 43 3.470 9.904 6.000 1.00 0.15 H new ATOM 0 HB2 SER A 43 5.342 11.461 5.526 1.00 0.20 H new ATOM 0 HB3 SER A 43 4.416 12.173 4.220 1.00 0.20 H new ATOM 0 HG SER A 43 4.087 12.417 6.997 1.00 1.06 H new ATOM 637 N THR A 44 2.034 10.614 3.148 1.00 0.13 N ATOM 638 CA THR A 44 0.729 10.762 2.527 1.00 0.14 C ATOM 639 C THR A 44 -0.022 9.441 2.592 1.00 0.13 C ATOM 640 O THR A 44 -1.204 9.374 2.284 1.00 0.18 O ATOM 641 CB THR A 44 0.823 11.233 1.059 1.00 0.16 C ATOM 642 OG1 THR A 44 1.519 10.269 0.256 1.00 0.17 O ATOM 643 CG2 THR A 44 1.535 12.572 0.971 1.00 0.20 C ATOM 0 H THR A 44 2.806 10.484 2.494 1.00 0.13 H new ATOM 0 HA THR A 44 0.191 11.531 3.082 1.00 0.14 H new ATOM 0 HB THR A 44 -0.193 11.342 0.680 1.00 0.16 H new ATOM 0 HG1 THR A 44 2.092 9.718 0.829 1.00 0.17 H new ATOM 0 HG21 THR A 44 1.591 12.886 -0.071 1.00 0.20 H new ATOM 0 HG22 THR A 44 0.983 13.316 1.545 1.00 0.20 H new ATOM 0 HG23 THR A 44 2.543 12.476 1.376 1.00 0.20 H new ATOM 651 N ILE A 45 0.692 8.394 2.986 1.00 0.11 N ATOM 652 CA ILE A 45 0.115 7.079 3.170 1.00 0.12 C ATOM 653 C ILE A 45 -0.517 6.932 4.555 1.00 0.16 C ATOM 654 O ILE A 45 0.155 7.032 5.579 1.00 0.23 O ATOM 655 CB ILE A 45 1.179 5.987 2.984 1.00 0.12 C ATOM 656 CG1 ILE A 45 1.773 6.044 1.573 1.00 0.10 C ATOM 657 CG2 ILE A 45 0.584 4.622 3.260 1.00 0.16 C ATOM 658 CD1 ILE A 45 0.776 5.759 0.458 1.00 0.10 C ATOM 0 H ILE A 45 1.691 8.439 3.186 1.00 0.11 H new ATOM 0 HA ILE A 45 -0.663 6.963 2.416 1.00 0.12 H new ATOM 0 HB ILE A 45 1.984 6.164 3.697 1.00 0.12 H new ATOM 0 HG12 ILE A 45 2.205 7.032 1.414 1.00 0.10 H new ATOM 0 HG13 ILE A 45 2.589 5.325 1.506 1.00 0.10 H new ATOM 0 HG21 ILE A 45 1.349 3.857 3.124 1.00 0.16 H new ATOM 0 HG22 ILE A 45 0.213 4.587 4.284 1.00 0.16 H new ATOM 0 HG23 ILE A 45 -0.239 4.438 2.570 1.00 0.16 H new ATOM 0 HD11 ILE A 45 1.281 5.820 -0.506 1.00 0.10 H new ATOM 0 HD12 ILE A 45 0.361 4.759 0.588 1.00 0.10 H new ATOM 0 HD13 ILE A 45 -0.029 6.493 0.493 1.00 0.10 H new ATOM 670 N ASP A 46 -1.825 6.731 4.560 1.00 0.16 N ATOM 671 CA ASP A 46 -2.584 6.474 5.775 1.00 0.22 C ATOM 672 C ASP A 46 -2.359 5.055 6.282 1.00 0.22 C ATOM 673 O ASP A 46 -2.090 4.839 7.462 1.00 0.28 O ATOM 674 CB ASP A 46 -4.069 6.696 5.488 1.00 0.28 C ATOM 675 CG ASP A 46 -4.987 6.018 6.489 1.00 0.46 C ATOM 676 OD1 ASP A 46 -4.927 6.378 7.683 1.00 0.70 O ATOM 677 OD2 ASP A 46 -5.748 5.112 6.093 1.00 0.61 O ATOM 0 H ASP A 46 -2.395 6.742 3.714 1.00 0.16 H new ATOM 0 HA ASP A 46 -2.244 7.160 6.551 1.00 0.22 H new ATOM 0 HB2 ASP A 46 -4.274 7.766 5.486 1.00 0.28 H new ATOM 0 HB3 ASP A 46 -4.297 6.325 4.489 1.00 0.28 H new ATOM 682 N LYS A 47 -2.454 4.095 5.380 1.00 0.21 N ATOM 683 CA LYS A 47 -2.382 2.691 5.749 1.00 0.27 C ATOM 684 C LYS A 47 -1.493 1.946 4.774 1.00 0.18 C ATOM 685 O LYS A 47 -1.578 2.168 3.575 1.00 0.20 O ATOM 686 CB LYS A 47 -3.779 2.063 5.692 1.00 0.41 C ATOM 687 CG LYS A 47 -4.127 1.165 6.865 1.00 1.07 C ATOM 688 CD LYS A 47 -4.283 1.957 8.147 1.00 1.01 C ATOM 689 CE LYS A 47 -4.875 1.100 9.254 1.00 1.60 C ATOM 690 NZ LYS A 47 -4.890 1.809 10.560 1.00 1.95 N ATOM 0 H LYS A 47 -2.582 4.262 4.382 1.00 0.21 H new ATOM 0 HA LYS A 47 -1.978 2.621 6.759 1.00 0.27 H new ATOM 0 HB2 LYS A 47 -4.518 2.862 5.634 1.00 0.41 H new ATOM 0 HB3 LYS A 47 -3.863 1.483 4.773 1.00 0.41 H new ATOM 0 HG2 LYS A 47 -5.053 0.630 6.652 1.00 1.07 H new ATOM 0 HG3 LYS A 47 -3.347 0.414 6.993 1.00 1.07 H new ATOM 0 HD2 LYS A 47 -3.312 2.341 8.461 1.00 1.01 H new ATOM 0 HD3 LYS A 47 -4.925 2.820 7.969 1.00 1.01 H new ATOM 0 HE2 LYS A 47 -5.892 0.813 8.986 1.00 1.60 H new ATOM 0 HE3 LYS A 47 -4.298 0.180 9.348 1.00 1.60 H new ATOM 0 HZ1 LYS A 47 -5.301 1.189 11.287 1.00 1.95 H new ATOM 0 HZ2 LYS A 47 -3.918 2.061 10.830 1.00 1.95 H new ATOM 0 HZ3 LYS A 47 -5.462 2.674 10.479 1.00 1.95 H new ATOM 704 N LEU A 48 -0.637 1.082 5.262 1.00 0.14 N ATOM 705 CA LEU A 48 -0.015 0.122 4.386 1.00 0.10 C ATOM 706 C LEU A 48 -0.614 -1.239 4.641 1.00 0.11 C ATOM 707 O LEU A 48 -0.910 -1.612 5.775 1.00 0.14 O ATOM 708 CB LEU A 48 1.492 0.052 4.554 1.00 0.10 C ATOM 709 CG LEU A 48 2.113 -1.230 4.011 1.00 0.11 C ATOM 710 CD1 LEU A 48 2.070 -1.264 2.503 1.00 0.12 C ATOM 711 CD2 LEU A 48 3.532 -1.363 4.465 1.00 0.13 C ATOM 0 H LEU A 48 -0.359 1.024 6.242 1.00 0.14 H new ATOM 0 HA LEU A 48 -0.204 0.447 3.363 1.00 0.10 H new ATOM 0 HB2 LEU A 48 1.944 0.906 4.050 1.00 0.10 H new ATOM 0 HB3 LEU A 48 1.735 0.142 5.613 1.00 0.10 H new ATOM 0 HG LEU A 48 1.527 -2.063 4.399 1.00 0.11 H new ATOM 0 HD11 LEU A 48 2.520 -2.191 2.147 1.00 0.12 H new ATOM 0 HD12 LEU A 48 1.034 -1.211 2.167 1.00 0.12 H new ATOM 0 HD13 LEU A 48 2.624 -0.415 2.104 1.00 0.12 H new ATOM 0 HD21 LEU A 48 3.957 -2.284 4.067 1.00 0.13 H new ATOM 0 HD22 LEU A 48 4.110 -0.512 4.106 1.00 0.13 H new ATOM 0 HD23 LEU A 48 3.565 -1.390 5.554 1.00 0.13 H new ATOM 723 N GLN A 49 -0.773 -1.970 3.578 1.00 0.10 N ATOM 724 CA GLN A 49 -1.363 -3.281 3.627 1.00 0.11 C ATOM 725 C GLN A 49 -0.398 -4.298 3.044 1.00 0.10 C ATOM 726 O GLN A 49 0.431 -3.964 2.202 1.00 0.12 O ATOM 727 CB GLN A 49 -2.668 -3.294 2.847 1.00 0.15 C ATOM 728 CG GLN A 49 -3.576 -2.111 3.156 1.00 0.27 C ATOM 729 CD GLN A 49 -5.036 -2.386 2.851 1.00 0.86 C ATOM 730 OE1 GLN A 49 -5.768 -1.503 2.408 1.00 1.49 O ATOM 731 NE2 GLN A 49 -5.484 -3.592 3.133 1.00 1.03 N ATOM 0 H GLN A 49 -0.495 -1.673 2.642 1.00 0.10 H new ATOM 0 HA GLN A 49 -1.572 -3.541 4.665 1.00 0.11 H new ATOM 0 HB2 GLN A 49 -2.444 -3.300 1.780 1.00 0.15 H new ATOM 0 HB3 GLN A 49 -3.203 -4.218 3.066 1.00 0.15 H new ATOM 0 HG2 GLN A 49 -3.474 -1.848 4.209 1.00 0.27 H new ATOM 0 HG3 GLN A 49 -3.247 -1.247 2.578 1.00 0.27 H new ATOM 0 HE21 GLN A 49 -4.847 -4.300 3.499 1.00 1.03 H new ATOM 0 HE22 GLN A 49 -6.468 -3.818 2.985 1.00 1.03 H new ATOM 740 N ALA A 50 -0.517 -5.523 3.499 1.00 0.11 N ATOM 741 CA ALA A 50 0.357 -6.604 3.070 1.00 0.13 C ATOM 742 C ALA A 50 -0.302 -7.944 3.400 1.00 0.18 C ATOM 743 O ALA A 50 -0.928 -8.078 4.451 1.00 0.25 O ATOM 744 CB ALA A 50 1.705 -6.473 3.763 1.00 0.16 C ATOM 0 H ALA A 50 -1.223 -5.805 4.179 1.00 0.11 H new ATOM 0 HA ALA A 50 0.519 -6.552 1.993 1.00 0.13 H new ATOM 0 HB1 ALA A 50 2.360 -7.283 3.441 1.00 0.16 H new ATOM 0 HB2 ALA A 50 2.157 -5.516 3.502 1.00 0.16 H new ATOM 0 HB3 ALA A 50 1.566 -6.526 4.843 1.00 0.16 H new ATOM 750 N THR A 51 -0.198 -8.905 2.486 1.00 0.17 N ATOM 751 CA THR A 51 -0.802 -10.230 2.662 1.00 0.22 C ATOM 752 C THR A 51 -0.351 -10.887 3.960 1.00 0.33 C ATOM 753 O THR A 51 0.843 -11.028 4.228 1.00 0.37 O ATOM 754 CB THR A 51 -0.442 -11.160 1.490 1.00 0.21 C ATOM 755 OG1 THR A 51 0.971 -11.206 1.314 1.00 0.25 O ATOM 756 CG2 THR A 51 -1.086 -10.708 0.195 1.00 0.20 C ATOM 0 H THR A 51 0.304 -8.792 1.605 1.00 0.17 H new ATOM 0 HA THR A 51 -1.881 -10.078 2.696 1.00 0.22 H new ATOM 0 HB THR A 51 -0.821 -12.152 1.737 1.00 0.21 H new ATOM 0 HG1 THR A 51 1.388 -10.481 1.825 1.00 0.25 H new ATOM 0 HG21 THR A 51 -0.807 -11.391 -0.608 1.00 0.20 H new ATOM 0 HG22 THR A 51 -2.170 -10.706 0.309 1.00 0.20 H new ATOM 0 HG23 THR A 51 -0.745 -9.702 -0.049 1.00 0.20 H new ATOM 764 N PRO A 52 -1.329 -11.286 4.775 1.00 0.41 N ATOM 765 CA PRO A 52 -1.106 -11.974 6.049 1.00 0.54 C ATOM 766 C PRO A 52 -0.524 -13.368 5.857 1.00 0.61 C ATOM 767 O PRO A 52 -0.503 -13.888 4.744 1.00 0.58 O ATOM 768 CB PRO A 52 -2.512 -12.065 6.649 1.00 0.64 C ATOM 769 CG PRO A 52 -3.419 -12.004 5.481 1.00 0.60 C ATOM 770 CD PRO A 52 -2.761 -11.087 4.507 1.00 0.45 C ATOM 0 HA PRO A 52 -0.389 -11.447 6.678 1.00 0.54 H new ATOM 0 HB2 PRO A 52 -2.646 -12.992 7.207 1.00 0.64 H new ATOM 0 HB3 PRO A 52 -2.702 -11.245 7.342 1.00 0.64 H new ATOM 0 HG2 PRO A 52 -3.567 -12.993 5.048 1.00 0.60 H new ATOM 0 HG3 PRO A 52 -4.402 -11.631 5.768 1.00 0.60 H new ATOM 0 HD2 PRO A 52 -3.017 -11.341 3.478 1.00 0.45 H new ATOM 0 HD3 PRO A 52 -3.060 -10.051 4.664 1.00 0.45 H new ATOM 778 N ALA A 53 -0.036 -13.964 6.935 1.00 0.73 N ATOM 779 CA ALA A 53 0.465 -15.333 6.887 1.00 0.86 C ATOM 780 C ALA A 53 -0.646 -16.293 6.460 1.00 0.91 C ATOM 781 O ALA A 53 -0.389 -17.327 5.847 1.00 1.00 O ATOM 782 CB ALA A 53 1.031 -15.738 8.239 1.00 1.02 C ATOM 0 H ALA A 53 0.024 -13.523 7.853 1.00 0.73 H new ATOM 0 HA ALA A 53 1.266 -15.384 6.149 1.00 0.86 H new ATOM 0 HB1 ALA A 53 1.401 -16.762 8.187 1.00 1.02 H new ATOM 0 HB2 ALA A 53 1.850 -15.070 8.506 1.00 1.02 H new ATOM 0 HB3 ALA A 53 0.249 -15.673 8.995 1.00 1.02 H new ATOM 788 N SER A 54 -1.884 -15.924 6.781 1.00 0.89 N ATOM 789 CA SER A 54 -3.051 -16.706 6.393 1.00 0.98 C ATOM 790 C SER A 54 -3.301 -16.583 4.892 1.00 0.88 C ATOM 791 O SER A 54 -3.915 -17.454 4.279 1.00 0.97 O ATOM 792 CB SER A 54 -4.281 -16.234 7.172 1.00 1.07 C ATOM 793 OG SER A 54 -5.339 -17.175 7.090 1.00 1.58 O ATOM 0 H SER A 54 -2.104 -15.082 7.313 1.00 0.89 H new ATOM 0 HA SER A 54 -2.862 -17.753 6.628 1.00 0.98 H new ATOM 0 HB2 SER A 54 -4.013 -16.076 8.217 1.00 1.07 H new ATOM 0 HB3 SER A 54 -4.615 -15.274 6.780 1.00 1.07 H new ATOM 0 HG SER A 54 -6.109 -16.846 7.598 1.00 1.58 H new ATOM 799 N SER A 55 -2.819 -15.493 4.306 1.00 0.71 N ATOM 800 CA SER A 55 -2.924 -15.289 2.868 1.00 0.61 C ATOM 801 C SER A 55 -1.977 -16.242 2.147 1.00 0.63 C ATOM 802 O SER A 55 -0.870 -16.510 2.615 1.00 0.71 O ATOM 803 CB SER A 55 -2.577 -13.840 2.492 1.00 0.55 C ATOM 804 OG SER A 55 -2.756 -13.612 1.104 1.00 0.54 O ATOM 0 H SER A 55 -2.351 -14.737 4.806 1.00 0.71 H new ATOM 0 HA SER A 55 -3.952 -15.488 2.566 1.00 0.61 H new ATOM 0 HB2 SER A 55 -3.206 -13.154 3.060 1.00 0.55 H new ATOM 0 HB3 SER A 55 -1.544 -13.628 2.768 1.00 0.55 H new ATOM 0 HG SER A 55 -3.004 -12.676 0.956 1.00 0.54 H new ATOM 810 N GLU A 56 -2.425 -16.764 1.016 1.00 0.61 N ATOM 811 CA GLU A 56 -1.623 -17.639 0.201 1.00 0.69 C ATOM 812 C GLU A 56 -0.709 -16.822 -0.704 1.00 0.60 C ATOM 813 O GLU A 56 0.285 -17.324 -1.231 1.00 0.70 O ATOM 814 CB GLU A 56 -2.546 -18.506 -0.636 1.00 0.80 C ATOM 815 CG GLU A 56 -1.836 -19.585 -1.379 1.00 1.19 C ATOM 816 CD GLU A 56 -2.755 -20.382 -2.274 1.00 2.20 C ATOM 817 OE1 GLU A 56 -3.345 -21.373 -1.795 1.00 2.66 O ATOM 818 OE2 GLU A 56 -2.894 -20.022 -3.462 1.00 2.89 O ATOM 0 H GLU A 56 -3.358 -16.588 0.644 1.00 0.61 H new ATOM 0 HA GLU A 56 -1.002 -18.269 0.838 1.00 0.69 H new ATOM 0 HB2 GLU A 56 -3.297 -18.956 0.014 1.00 0.80 H new ATOM 0 HB3 GLU A 56 -3.078 -17.875 -1.348 1.00 0.80 H new ATOM 0 HG2 GLU A 56 -1.043 -19.143 -1.982 1.00 1.19 H new ATOM 0 HG3 GLU A 56 -1.358 -20.257 -0.666 1.00 1.19 H new ATOM 825 N LYS A 57 -1.048 -15.552 -0.860 1.00 0.46 N ATOM 826 CA LYS A 57 -0.355 -14.686 -1.800 1.00 0.39 C ATOM 827 C LYS A 57 0.709 -13.865 -1.089 1.00 0.32 C ATOM 828 O LYS A 57 0.909 -13.995 0.121 1.00 0.39 O ATOM 829 CB LYS A 57 -1.346 -13.737 -2.483 1.00 0.41 C ATOM 830 CG LYS A 57 -2.716 -14.347 -2.749 1.00 0.56 C ATOM 831 CD LYS A 57 -2.645 -15.557 -3.656 1.00 0.89 C ATOM 832 CE LYS A 57 -2.260 -15.184 -5.072 1.00 1.84 C ATOM 833 NZ LYS A 57 -3.269 -14.291 -5.704 1.00 2.59 N ATOM 0 H LYS A 57 -1.802 -15.097 -0.345 1.00 0.46 H new ATOM 0 HA LYS A 57 0.120 -15.318 -2.550 1.00 0.39 H new ATOM 0 HB2 LYS A 57 -1.470 -12.851 -1.861 1.00 0.41 H new ATOM 0 HB3 LYS A 57 -0.919 -13.404 -3.429 1.00 0.41 H new ATOM 0 HG2 LYS A 57 -3.173 -14.633 -1.802 1.00 0.56 H new ATOM 0 HG3 LYS A 57 -3.363 -13.595 -3.201 1.00 0.56 H new ATOM 0 HD2 LYS A 57 -1.919 -16.266 -3.258 1.00 0.89 H new ATOM 0 HD3 LYS A 57 -3.611 -16.061 -3.664 1.00 0.89 H new ATOM 0 HE2 LYS A 57 -1.289 -14.688 -5.066 1.00 1.84 H new ATOM 0 HE3 LYS A 57 -2.151 -16.089 -5.669 1.00 1.84 H new ATOM 0 HZ1 LYS A 57 -3.133 -14.289 -6.735 1.00 2.59 H new ATOM 0 HZ2 LYS A 57 -4.225 -14.635 -5.481 1.00 2.59 H new ATOM 0 HZ3 LYS A 57 -3.155 -13.324 -5.338 1.00 2.59 H new ATOM 847 N MET A 58 1.400 -13.043 -1.859 1.00 0.27 N ATOM 848 CA MET A 58 2.321 -12.058 -1.324 1.00 0.25 C ATOM 849 C MET A 58 2.062 -10.737 -2.026 1.00 0.23 C ATOM 850 O MET A 58 2.355 -10.589 -3.212 1.00 0.29 O ATOM 851 CB MET A 58 3.782 -12.456 -1.553 1.00 0.29 C ATOM 852 CG MET A 58 4.013 -13.802 -2.249 1.00 0.42 C ATOM 853 SD MET A 58 3.251 -13.927 -3.883 1.00 1.78 S ATOM 854 CE MET A 58 3.601 -15.637 -4.281 1.00 1.53 C ATOM 0 H MET A 58 1.337 -13.041 -2.877 1.00 0.27 H new ATOM 0 HA MET A 58 2.158 -11.983 -0.249 1.00 0.25 H new ATOM 0 HB2 MET A 58 4.261 -11.677 -2.146 1.00 0.29 H new ATOM 0 HB3 MET A 58 4.287 -12.478 -0.587 1.00 0.29 H new ATOM 0 HG2 MET A 58 5.086 -13.969 -2.346 1.00 0.42 H new ATOM 0 HG3 MET A 58 3.622 -14.598 -1.616 1.00 0.42 H new ATOM 0 HE1 MET A 58 3.422 -15.807 -5.343 1.00 1.53 H new ATOM 0 HE2 MET A 58 4.642 -15.859 -4.048 1.00 1.53 H new ATOM 0 HE3 MET A 58 2.952 -16.287 -3.695 1.00 1.53 H new ATOM 864 N MET A 59 1.521 -9.777 -1.310 1.00 0.20 N ATOM 865 CA MET A 59 1.062 -8.555 -1.941 1.00 0.21 C ATOM 866 C MET A 59 1.005 -7.404 -0.941 1.00 0.18 C ATOM 867 O MET A 59 0.586 -7.581 0.199 1.00 0.26 O ATOM 868 CB MET A 59 -0.300 -8.833 -2.576 1.00 0.27 C ATOM 869 CG MET A 59 -0.779 -7.774 -3.539 1.00 0.64 C ATOM 870 SD MET A 59 -2.454 -8.101 -4.123 1.00 1.30 S ATOM 871 CE MET A 59 -2.340 -9.842 -4.551 1.00 0.62 C ATOM 0 H MET A 59 1.388 -9.815 -0.299 1.00 0.20 H new ATOM 0 HA MET A 59 1.764 -8.245 -2.715 1.00 0.21 H new ATOM 0 HB2 MET A 59 -0.252 -9.787 -3.102 1.00 0.27 H new ATOM 0 HB3 MET A 59 -1.039 -8.943 -1.782 1.00 0.27 H new ATOM 0 HG2 MET A 59 -0.749 -6.800 -3.051 1.00 0.64 H new ATOM 0 HG3 MET A 59 -0.101 -7.725 -4.391 1.00 0.64 H new ATOM 0 HE1 MET A 59 -3.176 -10.114 -5.195 1.00 0.62 H new ATOM 0 HE2 MET A 59 -1.403 -10.027 -5.076 1.00 0.62 H new ATOM 0 HE3 MET A 59 -2.371 -10.443 -3.642 1.00 0.62 H new ATOM 881 N LEU A 60 1.456 -6.237 -1.375 1.00 0.12 N ATOM 882 CA LEU A 60 1.427 -5.024 -0.564 1.00 0.10 C ATOM 883 C LEU A 60 0.430 -4.014 -1.156 1.00 0.10 C ATOM 884 O LEU A 60 0.142 -4.054 -2.352 1.00 0.13 O ATOM 885 CB LEU A 60 2.814 -4.385 -0.536 1.00 0.13 C ATOM 886 CG LEU A 60 3.501 -4.378 0.826 1.00 0.11 C ATOM 887 CD1 LEU A 60 4.283 -5.651 1.069 1.00 0.12 C ATOM 888 CD2 LEU A 60 4.418 -3.193 0.942 1.00 0.14 C ATOM 0 H LEU A 60 1.855 -6.101 -2.304 1.00 0.12 H new ATOM 0 HA LEU A 60 1.120 -5.292 0.447 1.00 0.10 H new ATOM 0 HB2 LEU A 60 3.453 -4.912 -1.244 1.00 0.13 H new ATOM 0 HB3 LEU A 60 2.729 -3.357 -0.887 1.00 0.13 H new ATOM 0 HG LEU A 60 2.719 -4.312 1.583 1.00 0.11 H new ATOM 0 HD11 LEU A 60 4.757 -5.605 2.050 1.00 0.12 H new ATOM 0 HD12 LEU A 60 3.608 -6.506 1.032 1.00 0.12 H new ATOM 0 HD13 LEU A 60 5.049 -5.760 0.301 1.00 0.12 H new ATOM 0 HD21 LEU A 60 4.901 -3.201 1.919 1.00 0.14 H new ATOM 0 HD22 LEU A 60 5.177 -3.243 0.161 1.00 0.14 H new ATOM 0 HD23 LEU A 60 3.842 -2.275 0.830 1.00 0.14 H new ATOM 900 N ARG A 61 -0.090 -3.113 -0.326 1.00 0.10 N ATOM 901 CA ARG A 61 -0.931 -2.016 -0.814 1.00 0.11 C ATOM 902 C ARG A 61 -0.812 -0.785 0.105 1.00 0.11 C ATOM 903 O ARG A 61 -1.235 -0.818 1.252 1.00 0.11 O ATOM 904 CB ARG A 61 -2.404 -2.455 -0.951 1.00 0.16 C ATOM 905 CG ARG A 61 -3.301 -1.386 -1.553 1.00 0.32 C ATOM 906 CD ARG A 61 -4.761 -1.567 -1.153 1.00 0.56 C ATOM 907 NE ARG A 61 -5.443 -2.637 -1.878 1.00 1.35 N ATOM 908 CZ ARG A 61 -6.743 -2.916 -1.723 1.00 1.67 C ATOM 909 NH1 ARG A 61 -7.457 -2.261 -0.813 1.00 1.46 N ATOM 910 NH2 ARG A 61 -7.324 -3.857 -2.461 1.00 2.72 N ATOM 0 H ARG A 61 0.054 -3.118 0.684 1.00 0.10 H new ATOM 0 HA ARG A 61 -0.573 -1.740 -1.806 1.00 0.11 H new ATOM 0 HB2 ARG A 61 -2.452 -3.350 -1.571 1.00 0.16 H new ATOM 0 HB3 ARG A 61 -2.787 -2.728 0.032 1.00 0.16 H new ATOM 0 HG2 ARG A 61 -2.957 -0.403 -1.232 1.00 0.32 H new ATOM 0 HG3 ARG A 61 -3.218 -1.414 -2.639 1.00 0.32 H new ATOM 0 HD2 ARG A 61 -4.812 -1.775 -0.084 1.00 0.56 H new ATOM 0 HD3 ARG A 61 -5.293 -0.631 -1.321 1.00 0.56 H new ATOM 0 HE ARG A 61 -4.902 -3.199 -2.535 1.00 1.35 H new ATOM 0 HH11 ARG A 61 -7.014 -1.547 -0.234 1.00 1.46 H new ATOM 0 HH12 ARG A 61 -8.448 -2.472 -0.693 1.00 1.46 H new ATOM 0 HH21 ARG A 61 -6.779 -4.373 -3.152 1.00 2.72 H new ATOM 0 HH22 ARG A 61 -8.315 -4.063 -2.336 1.00 2.72 H new ATOM 924 N LEU A 62 -0.241 0.298 -0.419 1.00 0.11 N ATOM 925 CA LEU A 62 -0.016 1.535 0.344 1.00 0.11 C ATOM 926 C LEU A 62 -1.135 2.557 0.094 1.00 0.15 C ATOM 927 O LEU A 62 -1.214 3.153 -0.977 1.00 0.19 O ATOM 928 CB LEU A 62 1.358 2.130 -0.026 1.00 0.12 C ATOM 929 CG LEU A 62 2.526 1.579 0.801 1.00 0.20 C ATOM 930 CD1 LEU A 62 3.866 1.795 0.120 1.00 0.90 C ATOM 931 CD2 LEU A 62 2.556 2.226 2.164 1.00 0.86 C ATOM 0 H LEU A 62 0.081 0.348 -1.386 1.00 0.11 H new ATOM 0 HA LEU A 62 -0.027 1.293 1.407 1.00 0.11 H new ATOM 0 HB2 LEU A 62 1.552 1.938 -1.081 1.00 0.12 H new ATOM 0 HB3 LEU A 62 1.318 3.212 0.099 1.00 0.12 H new ATOM 0 HG LEU A 62 2.364 0.506 0.899 1.00 0.20 H new ATOM 0 HD11 LEU A 62 4.661 1.388 0.744 1.00 0.90 H new ATOM 0 HD12 LEU A 62 3.869 1.290 -0.846 1.00 0.90 H new ATOM 0 HD13 LEU A 62 4.031 2.862 -0.028 1.00 0.90 H new ATOM 0 HD21 LEU A 62 3.390 1.825 2.739 1.00 0.86 H new ATOM 0 HD22 LEU A 62 2.677 3.304 2.053 1.00 0.86 H new ATOM 0 HD23 LEU A 62 1.622 2.018 2.686 1.00 0.86 H new ATOM 943 N ILE A 63 -1.981 2.757 1.099 1.00 0.17 N ATOM 944 CA ILE A 63 -3.154 3.629 0.999 1.00 0.23 C ATOM 945 C ILE A 63 -2.800 5.057 1.374 1.00 0.21 C ATOM 946 O ILE A 63 -2.203 5.282 2.413 1.00 0.25 O ATOM 947 CB ILE A 63 -4.265 3.195 1.984 1.00 0.30 C ATOM 948 CG1 ILE A 63 -4.237 1.685 2.228 1.00 0.30 C ATOM 949 CG2 ILE A 63 -5.630 3.638 1.480 1.00 0.40 C ATOM 950 CD1 ILE A 63 -4.488 0.858 1.002 1.00 0.33 C ATOM 0 H ILE A 63 -1.875 2.317 2.013 1.00 0.17 H new ATOM 0 HA ILE A 63 -3.496 3.559 -0.033 1.00 0.23 H new ATOM 0 HB ILE A 63 -4.075 3.685 2.939 1.00 0.30 H new ATOM 0 HG12 ILE A 63 -3.266 1.414 2.643 1.00 0.30 H new ATOM 0 HG13 ILE A 63 -4.986 1.436 2.980 1.00 0.30 H new ATOM 0 HG21 ILE A 63 -6.398 3.324 2.186 1.00 0.40 H new ATOM 0 HG22 ILE A 63 -5.648 4.724 1.384 1.00 0.40 H new ATOM 0 HG23 ILE A 63 -5.824 3.185 0.508 1.00 0.40 H new ATOM 0 HD11 ILE A 63 -4.451 -0.200 1.263 1.00 0.33 H new ATOM 0 HD12 ILE A 63 -5.471 1.097 0.597 1.00 0.33 H new ATOM 0 HD13 ILE A 63 -3.725 1.075 0.255 1.00 0.33 H new ATOM 962 N GLY A 64 -3.192 6.020 0.558 1.00 0.27 N ATOM 963 CA GLY A 64 -2.966 7.407 0.908 1.00 0.30 C ATOM 964 C GLY A 64 -4.075 7.962 1.783 1.00 0.35 C ATOM 965 O GLY A 64 -5.122 7.335 1.939 1.00 0.48 O ATOM 0 H GLY A 64 -3.660 5.870 -0.336 1.00 0.27 H new ATOM 0 HA2 GLY A 64 -2.013 7.498 1.429 1.00 0.30 H new ATOM 0 HA3 GLY A 64 -2.890 8.002 -0.002 1.00 0.30 H new ATOM 969 N LYS A 65 -3.832 9.117 2.390 1.00 0.30 N ATOM 970 CA LYS A 65 -4.866 9.817 3.136 1.00 0.33 C ATOM 971 C LYS A 65 -5.836 10.475 2.169 1.00 0.38 C ATOM 972 O LYS A 65 -5.422 11.161 1.231 1.00 0.41 O ATOM 973 CB LYS A 65 -4.283 10.887 4.061 1.00 0.34 C ATOM 974 CG LYS A 65 -3.691 10.357 5.363 1.00 0.36 C ATOM 975 CD LYS A 65 -2.346 9.697 5.165 1.00 0.40 C ATOM 976 CE LYS A 65 -1.568 9.602 6.472 1.00 0.43 C ATOM 977 NZ LYS A 65 -1.096 10.928 6.949 1.00 1.15 N ATOM 0 H LYS A 65 -2.927 9.588 2.379 1.00 0.30 H new ATOM 0 HA LYS A 65 -5.380 9.080 3.753 1.00 0.33 H new ATOM 0 HB2 LYS A 65 -3.508 11.430 3.521 1.00 0.34 H new ATOM 0 HB3 LYS A 65 -5.067 11.605 4.301 1.00 0.34 H new ATOM 0 HG2 LYS A 65 -3.587 11.179 6.071 1.00 0.36 H new ATOM 0 HG3 LYS A 65 -4.382 9.640 5.806 1.00 0.36 H new ATOM 0 HD2 LYS A 65 -2.488 8.698 4.752 1.00 0.40 H new ATOM 0 HD3 LYS A 65 -1.766 10.264 4.436 1.00 0.40 H new ATOM 0 HE2 LYS A 65 -2.200 9.148 7.235 1.00 0.43 H new ATOM 0 HE3 LYS A 65 -0.711 8.943 6.334 1.00 0.43 H new ATOM 0 HZ1 LYS A 65 -1.093 10.942 7.989 1.00 1.15 H new ATOM 0 HZ2 LYS A 65 -0.132 11.100 6.598 1.00 1.15 H new ATOM 0 HZ3 LYS A 65 -1.732 11.671 6.595 1.00 1.15 H new ATOM 991 N VAL A 66 -7.119 10.267 2.402 1.00 0.42 N ATOM 992 CA VAL A 66 -8.149 10.807 1.532 1.00 0.51 C ATOM 993 C VAL A 66 -8.327 12.308 1.744 1.00 0.57 C ATOM 994 O VAL A 66 -8.040 12.843 2.816 1.00 0.61 O ATOM 995 CB VAL A 66 -9.488 10.065 1.736 1.00 0.57 C ATOM 996 CG1 VAL A 66 -9.906 10.071 3.198 1.00 0.58 C ATOM 997 CG2 VAL A 66 -10.592 10.642 0.862 1.00 0.69 C ATOM 0 H VAL A 66 -7.474 9.726 3.190 1.00 0.42 H new ATOM 0 HA VAL A 66 -7.824 10.652 0.503 1.00 0.51 H new ATOM 0 HB VAL A 66 -9.328 9.031 1.431 1.00 0.57 H new ATOM 0 HG11 VAL A 66 -10.852 9.541 3.308 1.00 0.58 H new ATOM 0 HG12 VAL A 66 -9.141 9.577 3.797 1.00 0.58 H new ATOM 0 HG13 VAL A 66 -10.025 11.100 3.538 1.00 0.58 H new ATOM 0 HG21 VAL A 66 -11.517 10.093 1.035 1.00 0.69 H new ATOM 0 HG22 VAL A 66 -10.742 11.693 1.111 1.00 0.69 H new ATOM 0 HG23 VAL A 66 -10.309 10.555 -0.187 1.00 0.69 H new ATOM 1294 N GLN A 85 -6.764 7.338 -2.487 1.00 0.51 N ATOM 1295 CA GLN A 85 -5.859 6.833 -3.508 1.00 0.52 C ATOM 1296 C GLN A 85 -4.810 5.920 -2.896 1.00 0.43 C ATOM 1297 O GLN A 85 -4.005 6.322 -2.063 1.00 0.54 O ATOM 1298 CB GLN A 85 -5.204 7.969 -4.313 1.00 0.62 C ATOM 1299 CG GLN A 85 -5.026 9.282 -3.562 1.00 0.85 C ATOM 1300 CD GLN A 85 -4.253 9.137 -2.268 1.00 0.87 C ATOM 1301 OE1 GLN A 85 -4.839 9.009 -1.195 1.00 1.78 O ATOM 1302 NE2 GLN A 85 -2.935 9.118 -2.362 1.00 0.97 N ATOM 0 HA GLN A 85 -6.455 6.249 -4.209 1.00 0.52 H new ATOM 0 HB2 GLN A 85 -4.226 7.631 -4.657 1.00 0.62 H new ATOM 0 HB3 GLN A 85 -5.807 8.157 -5.201 1.00 0.62 H new ATOM 0 HG2 GLN A 85 -4.510 9.993 -4.207 1.00 0.85 H new ATOM 0 HG3 GLN A 85 -6.008 9.703 -3.345 1.00 0.85 H new ATOM 0 HE21 GLN A 85 -2.487 9.228 -3.272 1.00 0.97 H new ATOM 0 HE22 GLN A 85 -2.366 8.994 -1.525 1.00 0.97 H new ATOM 1311 N ARG A 86 -4.830 4.681 -3.311 1.00 0.31 N ATOM 1312 CA ARG A 86 -3.968 3.685 -2.728 1.00 0.27 C ATOM 1313 C ARG A 86 -3.157 2.965 -3.794 1.00 0.26 C ATOM 1314 O ARG A 86 -3.596 2.807 -4.934 1.00 0.40 O ATOM 1315 CB ARG A 86 -4.787 2.724 -1.865 1.00 0.36 C ATOM 1316 CG ARG A 86 -6.061 2.217 -2.524 1.00 0.72 C ATOM 1317 CD ARG A 86 -7.000 1.609 -1.508 1.00 0.54 C ATOM 1318 NE ARG A 86 -8.265 1.170 -2.095 1.00 1.21 N ATOM 1319 CZ ARG A 86 -9.355 0.883 -1.382 1.00 1.48 C ATOM 1320 NH1 ARG A 86 -9.343 1.013 -0.060 1.00 1.48 N ATOM 1321 NH2 ARG A 86 -10.462 0.479 -1.992 1.00 2.29 N ATOM 0 H ARG A 86 -5.437 4.335 -4.054 1.00 0.31 H new ATOM 0 HA ARG A 86 -3.246 4.178 -2.077 1.00 0.27 H new ATOM 0 HB2 ARG A 86 -4.163 1.869 -1.603 1.00 0.36 H new ATOM 0 HB3 ARG A 86 -5.049 3.225 -0.933 1.00 0.36 H new ATOM 0 HG2 ARG A 86 -6.560 3.039 -3.037 1.00 0.72 H new ATOM 0 HG3 ARG A 86 -5.811 1.474 -3.281 1.00 0.72 H new ATOM 0 HD2 ARG A 86 -6.511 0.759 -1.032 1.00 0.54 H new ATOM 0 HD3 ARG A 86 -7.203 2.340 -0.725 1.00 0.54 H new ATOM 0 HE ARG A 86 -8.317 1.078 -3.109 1.00 1.21 H new ATOM 0 HH11 ARG A 86 -8.498 1.333 0.413 1.00 1.48 H new ATOM 0 HH12 ARG A 86 -10.179 0.793 0.482 1.00 1.48 H new ATOM 0 HH21 ARG A 86 -10.480 0.388 -3.008 1.00 2.29 H new ATOM 0 HH22 ARG A 86 -11.295 0.260 -1.445 1.00 2.29 H new ATOM 1335 N HIS A 87 -1.963 2.553 -3.410 1.00 0.19 N ATOM 1336 CA HIS A 87 -0.967 2.055 -4.344 1.00 0.18 C ATOM 1337 C HIS A 87 -0.632 0.601 -4.042 1.00 0.15 C ATOM 1338 O HIS A 87 -0.042 0.300 -3.010 1.00 0.14 O ATOM 1339 CB HIS A 87 0.295 2.915 -4.221 1.00 0.21 C ATOM 1340 CG HIS A 87 0.031 4.390 -4.314 1.00 0.28 C ATOM 1341 ND1 HIS A 87 -0.505 4.998 -5.429 1.00 0.41 N ATOM 1342 CD2 HIS A 87 0.204 5.378 -3.401 1.00 0.36 C ATOM 1343 CE1 HIS A 87 -0.645 6.291 -5.199 1.00 0.50 C ATOM 1344 NE2 HIS A 87 -0.223 6.548 -3.975 1.00 0.47 N ATOM 0 H HIS A 87 -1.654 2.554 -2.438 1.00 0.19 H new ATOM 0 HA HIS A 87 -1.362 2.111 -5.358 1.00 0.18 H new ATOM 0 HB2 HIS A 87 0.779 2.701 -3.268 1.00 0.21 H new ATOM 0 HB3 HIS A 87 0.996 2.630 -5.005 1.00 0.21 H new ATOM 0 HD2 HIS A 87 0.605 5.264 -2.405 1.00 0.36 H new ATOM 0 HE1 HIS A 87 -1.039 7.016 -5.896 1.00 0.50 H new ATOM 0 HE2 HIS A 87 -0.216 7.466 -3.530 1.00 0.47 H new ATOM 1353 N MET A 88 -0.989 -0.294 -4.943 1.00 0.16 N ATOM 1354 CA MET A 88 -0.778 -1.718 -4.716 1.00 0.15 C ATOM 1355 C MET A 88 0.452 -2.223 -5.449 1.00 0.20 C ATOM 1356 O MET A 88 0.622 -1.973 -6.640 1.00 0.30 O ATOM 1357 CB MET A 88 -1.994 -2.528 -5.163 1.00 0.20 C ATOM 1358 CG MET A 88 -1.786 -4.026 -5.023 1.00 0.23 C ATOM 1359 SD MET A 88 -3.174 -4.993 -5.641 1.00 0.32 S ATOM 1360 CE MET A 88 -4.457 -4.468 -4.515 1.00 0.42 C ATOM 0 H MET A 88 -1.425 -0.066 -5.836 1.00 0.16 H new ATOM 0 HA MET A 88 -0.628 -1.850 -3.644 1.00 0.15 H new ATOM 0 HB2 MET A 88 -2.861 -2.229 -4.573 1.00 0.20 H new ATOM 0 HB3 MET A 88 -2.220 -2.293 -6.203 1.00 0.20 H new ATOM 0 HG2 MET A 88 -0.883 -4.313 -5.561 1.00 0.23 H new ATOM 0 HG3 MET A 88 -1.622 -4.267 -3.973 1.00 0.23 H new ATOM 0 HE1 MET A 88 -5.342 -5.089 -4.656 1.00 0.42 H new ATOM 0 HE2 MET A 88 -4.104 -4.568 -3.489 1.00 0.42 H new ATOM 0 HE3 MET A 88 -4.710 -3.426 -4.712 1.00 0.42 H new ATOM 1370 N PHE A 89 1.305 -2.943 -4.736 1.00 0.18 N ATOM 1371 CA PHE A 89 2.452 -3.567 -5.344 1.00 0.28 C ATOM 1372 C PHE A 89 2.456 -5.051 -5.012 1.00 0.31 C ATOM 1373 O PHE A 89 2.453 -5.438 -3.842 1.00 0.43 O ATOM 1374 CB PHE A 89 3.736 -2.901 -4.866 1.00 0.34 C ATOM 1375 CG PHE A 89 3.782 -1.431 -5.165 1.00 0.57 C ATOM 1376 CD1 PHE A 89 3.228 -0.524 -4.286 1.00 0.93 C ATOM 1377 CD2 PHE A 89 4.379 -0.960 -6.319 1.00 0.81 C ATOM 1378 CE1 PHE A 89 3.267 0.832 -4.546 1.00 1.26 C ATOM 1379 CE2 PHE A 89 4.419 0.394 -6.587 1.00 1.17 C ATOM 1380 CZ PHE A 89 3.863 1.290 -5.700 1.00 1.33 C ATOM 0 H PHE A 89 1.217 -3.105 -3.733 1.00 0.18 H new ATOM 0 HA PHE A 89 2.396 -3.447 -6.426 1.00 0.28 H new ATOM 0 HB2 PHE A 89 3.838 -3.051 -3.791 1.00 0.34 H new ATOM 0 HB3 PHE A 89 4.589 -3.389 -5.338 1.00 0.34 H new ATOM 0 HD1 PHE A 89 2.757 -0.879 -3.381 1.00 0.93 H new ATOM 0 HD2 PHE A 89 4.818 -1.657 -7.017 1.00 0.81 H new ATOM 0 HE1 PHE A 89 2.832 1.531 -3.847 1.00 1.26 H new ATOM 0 HE2 PHE A 89 4.887 0.751 -7.493 1.00 1.17 H new ATOM 0 HZ PHE A 89 3.895 2.349 -5.909 1.00 1.33 H new ATOM 1390 N SER A 90 2.461 -5.876 -6.034 1.00 0.26 N ATOM 1391 CA SER A 90 2.401 -7.308 -5.856 1.00 0.26 C ATOM 1392 C SER A 90 3.806 -7.889 -5.802 1.00 0.23 C ATOM 1393 O SER A 90 4.655 -7.558 -6.622 1.00 0.24 O ATOM 1394 CB SER A 90 1.605 -7.936 -7.003 1.00 0.28 C ATOM 1395 OG SER A 90 0.305 -7.371 -7.096 1.00 0.94 O ATOM 0 H SER A 90 2.507 -5.575 -7.007 1.00 0.26 H new ATOM 0 HA SER A 90 1.900 -7.532 -4.914 1.00 0.26 H new ATOM 0 HB2 SER A 90 2.137 -7.787 -7.943 1.00 0.28 H new ATOM 0 HB3 SER A 90 1.526 -9.012 -6.848 1.00 0.28 H new ATOM 0 HG SER A 90 -0.181 -7.789 -7.837 1.00 0.94 H new ATOM 1401 N PHE A 91 4.052 -8.742 -4.831 1.00 0.21 N ATOM 1402 CA PHE A 91 5.349 -9.393 -4.713 1.00 0.21 C ATOM 1403 C PHE A 91 5.251 -10.862 -5.079 1.00 0.23 C ATOM 1404 O PHE A 91 4.163 -11.390 -5.285 1.00 0.28 O ATOM 1405 CB PHE A 91 5.913 -9.246 -3.300 1.00 0.30 C ATOM 1406 CG PHE A 91 6.619 -7.940 -3.080 1.00 0.63 C ATOM 1407 CD1 PHE A 91 7.804 -7.669 -3.740 1.00 0.91 C ATOM 1408 CD2 PHE A 91 6.110 -6.989 -2.217 1.00 0.99 C ATOM 1409 CE1 PHE A 91 8.467 -6.475 -3.545 1.00 1.20 C ATOM 1410 CE2 PHE A 91 6.771 -5.792 -2.018 1.00 1.29 C ATOM 1411 CZ PHE A 91 7.949 -5.535 -2.684 1.00 1.33 C ATOM 0 H PHE A 91 3.377 -9.003 -4.112 1.00 0.21 H new ATOM 0 HA PHE A 91 6.028 -8.901 -5.410 1.00 0.21 H new ATOM 0 HB2 PHE A 91 5.100 -9.339 -2.580 1.00 0.30 H new ATOM 0 HB3 PHE A 91 6.606 -10.064 -3.105 1.00 0.30 H new ATOM 0 HD1 PHE A 91 8.216 -8.402 -4.417 1.00 0.91 H new ATOM 0 HD2 PHE A 91 5.186 -7.183 -1.693 1.00 0.99 H new ATOM 0 HE1 PHE A 91 9.391 -6.278 -4.068 1.00 1.20 H new ATOM 0 HE2 PHE A 91 6.364 -5.057 -1.340 1.00 1.29 H new ATOM 0 HZ PHE A 91 8.465 -4.598 -2.531 1.00 1.33 H new ATOM 1421 N ASN A 92 6.401 -11.508 -5.183 1.00 0.31 N ATOM 1422 CA ASN A 92 6.464 -12.907 -5.577 1.00 0.39 C ATOM 1423 C ASN A 92 6.931 -13.758 -4.409 1.00 0.35 C ATOM 1424 O ASN A 92 7.008 -14.984 -4.509 1.00 0.42 O ATOM 1425 CB ASN A 92 7.425 -13.095 -6.758 1.00 0.51 C ATOM 1426 CG ASN A 92 7.057 -12.285 -7.995 1.00 0.80 C ATOM 1427 OD1 ASN A 92 5.771 -12.039 -8.208 1.00 1.53 O flip ATOM 1428 ND2 ASN A 92 7.931 -11.887 -8.766 1.00 1.27 N flip ATOM 0 H ASN A 92 7.310 -11.083 -4.999 1.00 0.31 H new ATOM 0 HA ASN A 92 5.465 -13.220 -5.880 1.00 0.39 H new ATOM 0 HB2 ASN A 92 8.431 -12.818 -6.442 1.00 0.51 H new ATOM 0 HB3 ASN A 92 7.454 -14.152 -7.024 1.00 0.51 H new ATOM 0 HD21 ASN A 92 8.912 -12.092 -8.575 1.00 1.27 H new ATOM 0 HD22 ASN A 92 7.674 -11.352 -9.596 1.00 1.27 H new ATOM 1435 N ASN A 93 7.254 -13.103 -3.302 1.00 0.30 N ATOM 1436 CA ASN A 93 7.727 -13.807 -2.122 1.00 0.32 C ATOM 1437 C ASN A 93 7.158 -13.182 -0.855 1.00 0.28 C ATOM 1438 O ASN A 93 7.228 -11.965 -0.651 1.00 0.23 O ATOM 1439 CB ASN A 93 9.259 -13.780 -2.086 1.00 0.37 C ATOM 1440 CG ASN A 93 9.858 -14.738 -1.067 1.00 0.44 C ATOM 1441 OD1 ASN A 93 9.268 -15.018 -0.025 1.00 0.71 O ATOM 1442 ND2 ASN A 93 11.046 -15.239 -1.360 1.00 0.83 N ATOM 0 H ASN A 93 7.197 -12.090 -3.198 1.00 0.30 H new ATOM 0 HA ASN A 93 7.386 -14.841 -2.171 1.00 0.32 H new ATOM 0 HB2 ASN A 93 9.642 -14.028 -3.076 1.00 0.37 H new ATOM 0 HB3 ASN A 93 9.592 -12.767 -1.860 1.00 0.37 H new ATOM 0 HD21 ASN A 93 11.503 -15.881 -0.712 1.00 0.83 H new ATOM 0 HD22 ASN A 93 11.506 -14.984 -2.234 1.00 0.83 H new ATOM 1449 N ARG A 94 6.586 -14.041 -0.018 1.00 0.34 N ATOM 1450 CA ARG A 94 5.969 -13.638 1.240 1.00 0.37 C ATOM 1451 C ARG A 94 6.984 -12.984 2.174 1.00 0.30 C ATOM 1452 O ARG A 94 6.620 -12.143 2.995 1.00 0.27 O ATOM 1453 CB ARG A 94 5.335 -14.860 1.914 1.00 0.57 C ATOM 1454 CG ARG A 94 4.703 -14.579 3.261 1.00 0.90 C ATOM 1455 CD ARG A 94 3.594 -13.566 3.138 1.00 0.71 C ATOM 1456 NE ARG A 94 2.899 -13.351 4.406 1.00 0.99 N ATOM 1457 CZ ARG A 94 3.380 -12.616 5.411 1.00 1.35 C ATOM 1458 NH1 ARG A 94 4.571 -12.038 5.308 1.00 2.16 N ATOM 1459 NH2 ARG A 94 2.673 -12.471 6.524 1.00 1.70 N ATOM 0 H ARG A 94 6.537 -15.044 -0.195 1.00 0.34 H new ATOM 0 HA ARG A 94 5.197 -12.899 1.024 1.00 0.37 H new ATOM 0 HB2 ARG A 94 4.575 -15.272 1.250 1.00 0.57 H new ATOM 0 HB3 ARG A 94 6.099 -15.627 2.039 1.00 0.57 H new ATOM 0 HG2 ARG A 94 4.310 -15.504 3.682 1.00 0.90 H new ATOM 0 HG3 ARG A 94 5.461 -14.211 3.952 1.00 0.90 H new ATOM 0 HD2 ARG A 94 4.006 -12.620 2.786 1.00 0.71 H new ATOM 0 HD3 ARG A 94 2.879 -13.902 2.386 1.00 0.71 H new ATOM 0 HE ARG A 94 1.987 -13.791 4.531 1.00 0.99 H new ATOM 0 HH11 ARG A 94 5.123 -12.155 4.458 1.00 2.16 H new ATOM 0 HH12 ARG A 94 4.934 -11.477 6.079 1.00 2.16 H new ATOM 0 HH21 ARG A 94 1.762 -12.921 6.612 1.00 1.70 H new ATOM 0 HH22 ARG A 94 3.040 -11.909 7.292 1.00 1.70 H new ATOM 1473 N THR A 95 8.245 -13.361 2.037 1.00 0.30 N ATOM 1474 CA THR A 95 9.295 -12.815 2.880 1.00 0.27 C ATOM 1475 C THR A 95 9.664 -11.396 2.456 1.00 0.21 C ATOM 1476 O THR A 95 9.615 -10.477 3.266 1.00 0.18 O ATOM 1477 CB THR A 95 10.540 -13.715 2.854 1.00 0.32 C ATOM 1478 OG1 THR A 95 10.202 -15.010 3.361 1.00 0.40 O ATOM 1479 CG2 THR A 95 11.656 -13.113 3.685 1.00 0.32 C ATOM 0 H THR A 95 8.566 -14.043 1.350 1.00 0.30 H new ATOM 0 HA THR A 95 8.911 -12.778 3.899 1.00 0.27 H new ATOM 0 HB THR A 95 10.888 -13.802 1.825 1.00 0.32 H new ATOM 0 HG1 THR A 95 10.995 -15.585 3.343 1.00 0.40 H new ATOM 0 HG21 THR A 95 12.527 -13.767 3.652 1.00 0.32 H new ATOM 0 HG22 THR A 95 11.921 -12.135 3.284 1.00 0.32 H new ATOM 0 HG23 THR A 95 11.323 -13.004 4.717 1.00 0.32 H new ATOM 1487 N VAL A 96 10.029 -11.228 1.188 1.00 0.23 N ATOM 1488 CA VAL A 96 10.301 -9.906 0.618 1.00 0.21 C ATOM 1489 C VAL A 96 9.231 -8.914 1.011 1.00 0.19 C ATOM 1490 O VAL A 96 9.520 -7.877 1.599 1.00 0.19 O ATOM 1491 CB VAL A 96 10.331 -9.953 -0.920 1.00 0.25 C ATOM 1492 CG1 VAL A 96 10.515 -8.552 -1.497 1.00 0.28 C ATOM 1493 CG2 VAL A 96 11.425 -10.889 -1.409 1.00 0.29 C ATOM 0 H VAL A 96 10.145 -11.997 0.528 1.00 0.23 H new ATOM 0 HA VAL A 96 11.272 -9.599 1.007 1.00 0.21 H new ATOM 0 HB VAL A 96 9.374 -10.341 -1.269 1.00 0.25 H new ATOM 0 HG11 VAL A 96 10.534 -8.606 -2.585 1.00 0.28 H new ATOM 0 HG12 VAL A 96 9.688 -7.916 -1.180 1.00 0.28 H new ATOM 0 HG13 VAL A 96 11.455 -8.131 -1.139 1.00 0.28 H new ATOM 0 HG21 VAL A 96 11.428 -10.907 -2.499 1.00 0.29 H new ATOM 0 HG22 VAL A 96 12.392 -10.538 -1.049 1.00 0.29 H new ATOM 0 HG23 VAL A 96 11.240 -11.894 -1.030 1.00 0.29 H new ATOM 1503 N MET A 97 7.995 -9.244 0.686 1.00 0.19 N ATOM 1504 CA MET A 97 6.891 -8.357 0.967 1.00 0.19 C ATOM 1505 C MET A 97 6.751 -8.135 2.464 1.00 0.17 C ATOM 1506 O MET A 97 6.389 -7.049 2.887 1.00 0.19 O ATOM 1507 CB MET A 97 5.604 -8.898 0.347 1.00 0.21 C ATOM 1508 CG MET A 97 5.028 -10.131 1.014 1.00 0.22 C ATOM 1509 SD MET A 97 3.386 -9.857 1.691 1.00 0.29 S ATOM 1510 CE MET A 97 3.772 -9.306 3.342 1.00 0.17 C ATOM 0 H MET A 97 7.735 -10.118 0.229 1.00 0.19 H new ATOM 0 HA MET A 97 7.092 -7.386 0.513 1.00 0.19 H new ATOM 0 HB2 MET A 97 4.852 -8.110 0.368 1.00 0.21 H new ATOM 0 HB3 MET A 97 5.795 -9.129 -0.701 1.00 0.21 H new ATOM 0 HG2 MET A 97 4.986 -10.944 0.289 1.00 0.22 H new ATOM 0 HG3 MET A 97 5.696 -10.451 1.813 1.00 0.22 H new ATOM 0 HE1 MET A 97 2.884 -9.387 3.969 1.00 0.17 H new ATOM 0 HE2 MET A 97 4.567 -9.927 3.756 1.00 0.17 H new ATOM 0 HE3 MET A 97 4.102 -8.267 3.311 1.00 0.17 H new ATOM 1520 N ASP A 98 7.094 -9.149 3.265 1.00 0.16 N ATOM 1521 CA ASP A 98 7.030 -9.035 4.724 1.00 0.16 C ATOM 1522 C ASP A 98 8.060 -8.024 5.201 1.00 0.15 C ATOM 1523 O ASP A 98 7.839 -7.273 6.148 1.00 0.22 O ATOM 1524 CB ASP A 98 7.300 -10.390 5.382 1.00 0.21 C ATOM 1525 CG ASP A 98 7.072 -10.376 6.879 1.00 0.30 C ATOM 1526 OD1 ASP A 98 5.926 -10.618 7.317 1.00 0.38 O ATOM 1527 OD2 ASP A 98 8.038 -10.106 7.624 1.00 0.39 O ATOM 0 H ASP A 98 7.418 -10.056 2.928 1.00 0.16 H new ATOM 0 HA ASP A 98 6.030 -8.703 5.005 1.00 0.16 H new ATOM 0 HB2 ASP A 98 6.655 -11.143 4.929 1.00 0.21 H new ATOM 0 HB3 ASP A 98 8.329 -10.688 5.179 1.00 0.21 H new ATOM 1532 N ASN A 99 9.169 -8.001 4.492 1.00 0.12 N ATOM 1533 CA ASN A 99 10.284 -7.122 4.800 1.00 0.13 C ATOM 1534 C ASN A 99 9.969 -5.706 4.340 1.00 0.15 C ATOM 1535 O ASN A 99 10.254 -4.726 5.030 1.00 0.24 O ATOM 1536 CB ASN A 99 11.536 -7.645 4.089 1.00 0.22 C ATOM 1537 CG ASN A 99 11.975 -8.999 4.591 1.00 0.71 C ATOM 1538 OD1 ASN A 99 12.398 -9.860 3.677 1.00 1.55 O flip ATOM 1539 ND2 ASN A 99 11.900 -9.286 5.786 1.00 0.50 N flip ATOM 0 H ASN A 99 9.326 -8.596 3.678 1.00 0.12 H new ATOM 0 HA ASN A 99 10.457 -7.104 5.876 1.00 0.13 H new ATOM 0 HB2 ASN A 99 11.341 -7.706 3.018 1.00 0.22 H new ATOM 0 HB3 ASN A 99 12.349 -6.932 4.225 1.00 0.22 H new ATOM 0 HD21 ASN A 99 11.569 -8.593 6.457 1.00 0.50 H new ATOM 0 HD22 ASN A 99 12.169 -10.217 6.105 1.00 0.50 H new ATOM 1546 N ILE A 100 9.373 -5.622 3.167 1.00 0.12 N ATOM 1547 CA ILE A 100 8.933 -4.355 2.599 1.00 0.12 C ATOM 1548 C ILE A 100 7.856 -3.702 3.472 1.00 0.11 C ATOM 1549 O ILE A 100 7.998 -2.544 3.872 1.00 0.13 O ATOM 1550 CB ILE A 100 8.368 -4.575 1.182 1.00 0.11 C ATOM 1551 CG1 ILE A 100 9.466 -5.037 0.229 1.00 0.13 C ATOM 1552 CG2 ILE A 100 7.723 -3.306 0.654 1.00 0.12 C ATOM 1553 CD1 ILE A 100 10.458 -3.951 -0.103 1.00 0.11 C ATOM 0 H ILE A 100 9.178 -6.430 2.576 1.00 0.12 H new ATOM 0 HA ILE A 100 9.798 -3.694 2.554 1.00 0.12 H new ATOM 0 HB ILE A 100 7.607 -5.353 1.243 1.00 0.11 H new ATOM 0 HG12 ILE A 100 9.995 -5.880 0.675 1.00 0.13 H new ATOM 0 HG13 ILE A 100 9.010 -5.398 -0.693 1.00 0.13 H new ATOM 0 HG21 ILE A 100 7.332 -3.486 -0.347 1.00 0.12 H new ATOM 0 HG22 ILE A 100 6.908 -3.010 1.314 1.00 0.12 H new ATOM 0 HG23 ILE A 100 8.466 -2.509 0.615 1.00 0.12 H new ATOM 0 HD11 ILE A 100 11.213 -4.344 -0.784 1.00 0.11 H new ATOM 0 HD12 ILE A 100 9.940 -3.117 -0.577 1.00 0.11 H new ATOM 0 HD13 ILE A 100 10.940 -3.606 0.812 1.00 0.11 H new ATOM 1565 N LYS A 101 6.782 -4.441 3.781 1.00 0.11 N ATOM 1566 CA LYS A 101 5.696 -3.897 4.556 1.00 0.12 C ATOM 1567 C LYS A 101 6.178 -3.436 5.926 1.00 0.11 C ATOM 1568 O LYS A 101 5.725 -2.419 6.440 1.00 0.14 O ATOM 1569 CB LYS A 101 4.594 -4.916 4.752 1.00 0.18 C ATOM 1570 CG LYS A 101 5.089 -6.238 5.219 1.00 0.89 C ATOM 1571 CD LYS A 101 4.125 -6.908 6.181 1.00 0.75 C ATOM 1572 CE LYS A 101 4.635 -6.811 7.607 1.00 0.42 C ATOM 1573 NZ LYS A 101 4.493 -5.449 8.189 1.00 1.11 N ATOM 0 H LYS A 101 6.657 -5.413 3.500 1.00 0.11 H new ATOM 0 HA LYS A 101 5.307 -3.046 3.998 1.00 0.12 H new ATOM 0 HB2 LYS A 101 3.876 -4.529 5.475 1.00 0.18 H new ATOM 0 HB3 LYS A 101 4.060 -5.048 3.811 1.00 0.18 H new ATOM 0 HG2 LYS A 101 5.250 -6.888 4.359 1.00 0.89 H new ATOM 0 HG3 LYS A 101 6.055 -6.110 5.707 1.00 0.89 H new ATOM 0 HD2 LYS A 101 3.145 -6.438 6.108 1.00 0.75 H new ATOM 0 HD3 LYS A 101 3.998 -7.955 5.906 1.00 0.75 H new ATOM 0 HE2 LYS A 101 4.093 -7.523 8.229 1.00 0.42 H new ATOM 0 HE3 LYS A 101 5.685 -7.102 7.631 1.00 0.42 H new ATOM 0 HZ1 LYS A 101 4.843 -5.452 9.168 1.00 1.11 H new ATOM 0 HZ2 LYS A 101 5.046 -4.771 7.626 1.00 1.11 H new ATOM 0 HZ3 LYS A 101 3.491 -5.170 8.180 1.00 1.11 H new ATOM 1587 N MET A 102 7.099 -4.197 6.518 1.00 0.09 N ATOM 1588 CA MET A 102 7.569 -3.902 7.865 1.00 0.09 C ATOM 1589 C MET A 102 8.436 -2.657 7.834 1.00 0.09 C ATOM 1590 O MET A 102 8.544 -1.937 8.816 1.00 0.12 O ATOM 1591 CB MET A 102 8.322 -5.108 8.465 1.00 0.10 C ATOM 1592 CG MET A 102 9.738 -5.315 7.944 1.00 0.16 C ATOM 1593 SD MET A 102 10.985 -4.391 8.864 1.00 0.88 S ATOM 1594 CE MET A 102 10.870 -5.189 10.464 1.00 1.17 C ATOM 0 H MET A 102 7.529 -5.015 6.087 1.00 0.09 H new ATOM 0 HA MET A 102 6.712 -3.712 8.512 1.00 0.09 H new ATOM 0 HB2 MET A 102 8.365 -4.987 9.547 1.00 0.10 H new ATOM 0 HB3 MET A 102 7.744 -6.011 8.268 1.00 0.10 H new ATOM 0 HG2 MET A 102 9.980 -6.377 7.985 1.00 0.16 H new ATOM 0 HG3 MET A 102 9.778 -5.019 6.896 1.00 0.16 H new ATOM 0 HE1 MET A 102 11.831 -5.122 10.974 1.00 1.17 H new ATOM 0 HE2 MET A 102 10.106 -4.694 11.063 1.00 1.17 H new ATOM 0 HE3 MET A 102 10.603 -6.237 10.329 1.00 1.17 H new ATOM 1604 N THR A 103 9.028 -2.405 6.680 1.00 0.08 N ATOM 1605 CA THR A 103 9.782 -1.194 6.454 1.00 0.08 C ATOM 1606 C THR A 103 8.852 0.010 6.436 1.00 0.08 C ATOM 1607 O THR A 103 9.056 0.984 7.166 1.00 0.09 O ATOM 1608 CB THR A 103 10.530 -1.290 5.114 1.00 0.10 C ATOM 1609 OG1 THR A 103 11.569 -2.267 5.213 1.00 0.15 O ATOM 1610 CG2 THR A 103 11.107 0.041 4.697 1.00 0.11 C ATOM 0 H THR A 103 8.997 -3.035 5.878 1.00 0.08 H new ATOM 0 HA THR A 103 10.502 -1.072 7.263 1.00 0.08 H new ATOM 0 HB THR A 103 9.814 -1.590 4.349 1.00 0.10 H new ATOM 0 HG1 THR A 103 11.180 -3.165 5.158 1.00 0.15 H new ATOM 0 HG21 THR A 103 11.627 -0.070 3.746 1.00 0.11 H new ATOM 0 HG22 THR A 103 10.302 0.768 4.588 1.00 0.11 H new ATOM 0 HG23 THR A 103 11.809 0.387 5.456 1.00 0.11 H new ATOM 1618 N LEU A 104 7.816 -0.082 5.618 1.00 0.08 N ATOM 1619 CA LEU A 104 6.897 1.023 5.423 1.00 0.09 C ATOM 1620 C LEU A 104 6.066 1.277 6.669 1.00 0.11 C ATOM 1621 O LEU A 104 6.082 2.374 7.200 1.00 0.13 O ATOM 1622 CB LEU A 104 5.968 0.742 4.240 1.00 0.09 C ATOM 1623 CG LEU A 104 6.653 0.454 2.901 1.00 0.09 C ATOM 1624 CD1 LEU A 104 5.791 -0.441 2.043 1.00 0.11 C ATOM 1625 CD2 LEU A 104 6.933 1.734 2.155 1.00 0.11 C ATOM 0 H LEU A 104 7.591 -0.917 5.076 1.00 0.08 H new ATOM 0 HA LEU A 104 7.492 1.912 5.215 1.00 0.09 H new ATOM 0 HB2 LEU A 104 5.337 -0.110 4.493 1.00 0.09 H new ATOM 0 HB3 LEU A 104 5.308 1.600 4.111 1.00 0.09 H new ATOM 0 HG LEU A 104 7.596 -0.049 3.115 1.00 0.09 H new ATOM 0 HD11 LEU A 104 6.296 -0.633 1.096 1.00 0.11 H new ATOM 0 HD12 LEU A 104 5.618 -1.385 2.561 1.00 0.11 H new ATOM 0 HD13 LEU A 104 4.836 0.048 1.852 1.00 0.11 H new ATOM 0 HD21 LEU A 104 7.420 1.504 1.207 1.00 0.11 H new ATOM 0 HD22 LEU A 104 5.996 2.256 1.964 1.00 0.11 H new ATOM 0 HD23 LEU A 104 7.586 2.369 2.754 1.00 0.11 H new ATOM 1637 N GLN A 105 5.342 0.263 7.124 1.00 0.12 N ATOM 1638 CA GLN A 105 4.463 0.399 8.298 1.00 0.18 C ATOM 1639 C GLN A 105 5.188 0.968 9.519 1.00 0.18 C ATOM 1640 O GLN A 105 4.559 1.581 10.377 1.00 0.22 O ATOM 1641 CB GLN A 105 3.806 -0.937 8.660 1.00 0.28 C ATOM 1642 CG GLN A 105 2.932 -1.469 7.548 1.00 0.39 C ATOM 1643 CD GLN A 105 2.227 -2.771 7.851 1.00 0.64 C ATOM 1644 OE1 GLN A 105 2.700 -3.599 8.623 1.00 1.45 O ATOM 1645 NE2 GLN A 105 1.097 -2.975 7.202 1.00 0.99 N ATOM 0 H GLN A 105 5.340 -0.666 6.704 1.00 0.12 H new ATOM 0 HA GLN A 105 3.690 1.112 8.012 1.00 0.18 H new ATOM 0 HB2 GLN A 105 4.580 -1.669 8.892 1.00 0.28 H new ATOM 0 HB3 GLN A 105 3.206 -0.811 9.561 1.00 0.28 H new ATOM 0 HG2 GLN A 105 2.182 -0.716 7.305 1.00 0.39 H new ATOM 0 HG3 GLN A 105 3.547 -1.606 6.658 1.00 0.39 H new ATOM 0 HE21 GLN A 105 0.737 -2.261 6.569 1.00 0.99 H new ATOM 0 HE22 GLN A 105 0.583 -3.846 7.334 1.00 0.99 H new ATOM 1654 N GLN A 106 6.504 0.790 9.599 1.00 0.17 N ATOM 1655 CA GLN A 106 7.262 1.352 10.698 1.00 0.20 C ATOM 1656 C GLN A 106 7.382 2.853 10.512 1.00 0.20 C ATOM 1657 O GLN A 106 7.340 3.627 11.465 1.00 0.36 O ATOM 1658 CB GLN A 106 8.635 0.717 10.769 1.00 0.25 C ATOM 1659 CG GLN A 106 8.664 -0.612 11.502 1.00 0.30 C ATOM 1660 CD GLN A 106 10.074 -1.135 11.687 1.00 0.38 C ATOM 1661 OE1 GLN A 106 10.721 -0.877 12.700 1.00 0.65 O ATOM 1662 NE2 GLN A 106 10.564 -1.865 10.705 1.00 0.47 N ATOM 0 H GLN A 106 7.057 0.266 8.921 1.00 0.17 H new ATOM 0 HA GLN A 106 6.743 1.148 11.634 1.00 0.20 H new ATOM 0 HB2 GLN A 106 9.009 0.569 9.756 1.00 0.25 H new ATOM 0 HB3 GLN A 106 9.318 1.408 11.263 1.00 0.25 H new ATOM 0 HG2 GLN A 106 8.190 -0.497 12.477 1.00 0.30 H new ATOM 0 HG3 GLN A 106 8.077 -1.344 10.947 1.00 0.30 H new ATOM 0 HE21 GLN A 106 9.996 -2.057 9.880 1.00 0.47 H new ATOM 0 HE22 GLN A 106 11.511 -2.238 10.770 1.00 0.47 H new ATOM 1671 N ILE A 107 7.503 3.242 9.256 1.00 0.13 N ATOM 1672 CA ILE A 107 7.526 4.633 8.859 1.00 0.13 C ATOM 1673 C ILE A 107 6.153 5.261 9.059 1.00 0.14 C ATOM 1674 O ILE A 107 6.030 6.392 9.513 1.00 0.17 O ATOM 1675 CB ILE A 107 7.880 4.754 7.364 1.00 0.13 C ATOM 1676 CG1 ILE A 107 9.261 4.169 7.070 1.00 0.13 C ATOM 1677 CG2 ILE A 107 7.803 6.198 6.925 1.00 0.16 C ATOM 1678 CD1 ILE A 107 9.507 3.893 5.603 1.00 0.14 C ATOM 0 H ILE A 107 7.589 2.591 8.475 1.00 0.13 H new ATOM 0 HA ILE A 107 8.271 5.143 9.470 1.00 0.13 H new ATOM 0 HB ILE A 107 7.152 4.176 6.795 1.00 0.13 H new ATOM 0 HG12 ILE A 107 10.023 4.859 7.433 1.00 0.13 H new ATOM 0 HG13 ILE A 107 9.379 3.241 7.630 1.00 0.13 H new ATOM 0 HG21 ILE A 107 8.055 6.271 5.867 1.00 0.16 H new ATOM 0 HG22 ILE A 107 6.792 6.573 7.084 1.00 0.16 H new ATOM 0 HG23 ILE A 107 8.506 6.793 7.507 1.00 0.16 H new ATOM 0 HD11 ILE A 107 10.507 3.479 5.473 1.00 0.14 H new ATOM 0 HD12 ILE A 107 8.769 3.179 5.238 1.00 0.14 H new ATOM 0 HD13 ILE A 107 9.422 4.822 5.039 1.00 0.14 H new ATOM 1690 N ILE A 108 5.126 4.519 8.702 1.00 0.13 N ATOM 1691 CA ILE A 108 3.765 5.027 8.760 1.00 0.17 C ATOM 1692 C ILE A 108 3.356 5.295 10.201 1.00 0.23 C ATOM 1693 O ILE A 108 2.908 6.391 10.530 1.00 0.29 O ATOM 1694 CB ILE A 108 2.804 4.038 8.086 1.00 0.19 C ATOM 1695 CG1 ILE A 108 3.464 3.549 6.792 1.00 0.18 C ATOM 1696 CG2 ILE A 108 1.447 4.682 7.829 1.00 0.26 C ATOM 1697 CD1 ILE A 108 2.525 3.184 5.675 1.00 0.15 C ATOM 0 H ILE A 108 5.205 3.559 8.367 1.00 0.13 H new ATOM 0 HA ILE A 108 3.717 5.972 8.219 1.00 0.17 H new ATOM 0 HB ILE A 108 2.615 3.186 8.739 1.00 0.19 H new ATOM 0 HG12 ILE A 108 4.139 4.327 6.434 1.00 0.18 H new ATOM 0 HG13 ILE A 108 4.076 2.678 7.026 1.00 0.18 H new ATOM 0 HG21 ILE A 108 0.786 3.959 7.351 1.00 0.26 H new ATOM 0 HG22 ILE A 108 1.011 5.002 8.775 1.00 0.26 H new ATOM 0 HG23 ILE A 108 1.572 5.546 7.177 1.00 0.26 H new ATOM 0 HD11 ILE A 108 3.100 2.852 4.810 1.00 0.15 H new ATOM 0 HD12 ILE A 108 1.865 2.380 6.002 1.00 0.15 H new ATOM 0 HD13 ILE A 108 1.929 4.055 5.402 1.00 0.15 H new ATOM 1709 N SER A 109 3.554 4.306 11.060 1.00 0.28 N ATOM 1710 CA SER A 109 3.323 4.464 12.493 1.00 0.37 C ATOM 1711 C SER A 109 4.195 5.588 13.045 1.00 0.37 C ATOM 1712 O SER A 109 3.820 6.280 13.989 1.00 0.43 O ATOM 1713 CB SER A 109 3.620 3.154 13.219 1.00 0.45 C ATOM 1714 OG SER A 109 2.816 2.103 12.712 1.00 1.22 O ATOM 0 H SER A 109 3.877 3.377 10.789 1.00 0.28 H new ATOM 0 HA SER A 109 2.277 4.724 12.656 1.00 0.37 H new ATOM 0 HB2 SER A 109 4.674 2.900 13.103 1.00 0.45 H new ATOM 0 HB3 SER A 109 3.437 3.275 14.287 1.00 0.45 H new ATOM 0 HG SER A 109 3.208 1.763 11.881 1.00 1.22 H new ATOM 1720 N ARG A 110 5.338 5.789 12.403 1.00 0.33 N ATOM 1721 CA ARG A 110 6.255 6.847 12.763 1.00 0.35 C ATOM 1722 C ARG A 110 5.608 8.198 12.484 1.00 0.38 C ATOM 1723 O ARG A 110 5.729 9.139 13.270 1.00 0.48 O ATOM 1724 CB ARG A 110 7.554 6.701 11.961 1.00 0.34 C ATOM 1725 CG ARG A 110 8.120 8.009 11.489 1.00 1.27 C ATOM 1726 CD ARG A 110 9.403 7.803 10.722 1.00 1.25 C ATOM 1727 NE ARG A 110 10.001 9.077 10.321 1.00 2.39 N ATOM 1728 CZ ARG A 110 11.054 9.190 9.513 1.00 2.70 C ATOM 1729 NH1 ARG A 110 11.628 8.106 9.003 1.00 1.97 N ATOM 1730 NH2 ARG A 110 11.532 10.393 9.219 1.00 3.79 N ATOM 0 H ARG A 110 5.650 5.219 11.617 1.00 0.33 H new ATOM 0 HA ARG A 110 6.491 6.781 13.825 1.00 0.35 H new ATOM 0 HB2 ARG A 110 8.297 6.195 12.578 1.00 0.34 H new ATOM 0 HB3 ARG A 110 7.368 6.063 11.097 1.00 0.34 H new ATOM 0 HG2 ARG A 110 7.392 8.516 10.856 1.00 1.27 H new ATOM 0 HG3 ARG A 110 8.305 8.658 12.345 1.00 1.27 H new ATOM 0 HD2 ARG A 110 10.110 7.246 11.337 1.00 1.25 H new ATOM 0 HD3 ARG A 110 9.205 7.198 9.837 1.00 1.25 H new ATOM 0 HE ARG A 110 9.584 9.934 10.684 1.00 2.39 H new ATOM 0 HH11 ARG A 110 11.263 7.181 9.230 1.00 1.97 H new ATOM 0 HH12 ARG A 110 12.434 8.199 8.385 1.00 1.97 H new ATOM 0 HH21 ARG A 110 11.093 11.226 9.611 1.00 3.79 H new ATOM 0 HH22 ARG A 110 12.338 10.484 8.601 1.00 3.79 H new ATOM 1744 N TYR A 111 4.891 8.269 11.369 1.00 0.34 N ATOM 1745 CA TYR A 111 4.305 9.514 10.923 1.00 0.41 C ATOM 1746 C TYR A 111 2.962 9.769 11.583 1.00 0.49 C ATOM 1747 O TYR A 111 2.527 10.908 11.682 1.00 0.60 O ATOM 1748 CB TYR A 111 4.175 9.536 9.401 1.00 0.37 C ATOM 1749 CG TYR A 111 5.437 10.008 8.721 1.00 0.38 C ATOM 1750 CD1 TYR A 111 5.701 11.362 8.563 1.00 0.48 C ATOM 1751 CD2 TYR A 111 6.372 9.103 8.261 1.00 0.34 C ATOM 1752 CE1 TYR A 111 6.867 11.793 7.959 1.00 0.53 C ATOM 1753 CE2 TYR A 111 7.541 9.523 7.661 1.00 0.40 C ATOM 1754 CZ TYR A 111 7.784 10.867 7.512 1.00 0.48 C ATOM 1755 OH TYR A 111 8.950 11.285 6.920 1.00 0.55 O ATOM 0 H TYR A 111 4.704 7.473 10.760 1.00 0.34 H new ATOM 0 HA TYR A 111 4.975 10.319 11.224 1.00 0.41 H new ATOM 0 HB2 TYR A 111 3.927 8.536 9.046 1.00 0.37 H new ATOM 0 HB3 TYR A 111 3.348 10.188 9.119 1.00 0.37 H new ATOM 0 HD1 TYR A 111 4.985 12.089 8.917 1.00 0.48 H new ATOM 0 HD2 TYR A 111 6.185 8.045 8.373 1.00 0.34 H new ATOM 0 HE1 TYR A 111 7.058 12.849 7.838 1.00 0.53 H new ATOM 0 HE2 TYR A 111 8.262 8.799 7.310 1.00 0.40 H new ATOM 0 HH TYR A 111 9.658 10.629 7.092 1.00 0.55 H new ATOM 2059 N PHE B 261 -5.292 -8.332 2.933 1.00 0.48 N ATOM 2060 CA PHE B 261 -4.096 -7.927 3.649 1.00 0.48 C ATOM 2061 C PHE B 261 -4.330 -7.820 5.151 1.00 0.66 C ATOM 2062 O PHE B 261 -5.444 -8.005 5.643 1.00 0.95 O ATOM 2063 CB PHE B 261 -3.640 -6.567 3.154 1.00 0.50 C ATOM 2064 CG PHE B 261 -3.538 -6.450 1.667 1.00 0.46 C ATOM 2065 CD1 PHE B 261 -2.639 -7.229 0.968 1.00 0.44 C ATOM 2066 CD2 PHE B 261 -4.357 -5.590 0.972 1.00 0.67 C ATOM 2067 CE1 PHE B 261 -2.555 -7.145 -0.411 1.00 0.51 C ATOM 2068 CE2 PHE B 261 -4.284 -5.503 -0.398 1.00 0.75 C ATOM 2069 CZ PHE B 261 -3.312 -6.193 -1.082 1.00 0.62 C ATOM 0 HA PHE B 261 -3.342 -8.692 3.464 1.00 0.48 H new ATOM 0 HB2 PHE B 261 -4.335 -5.810 3.518 1.00 0.50 H new ATOM 0 HB3 PHE B 261 -2.667 -6.343 3.591 1.00 0.50 H new ATOM 0 HD1 PHE B 261 -1.994 -7.911 1.502 1.00 0.44 H new ATOM 0 HD2 PHE B 261 -5.065 -4.976 1.509 1.00 0.67 H new ATOM 0 HE1 PHE B 261 -1.907 -7.813 -0.960 1.00 0.51 H new ATOM 0 HE2 PHE B 261 -4.992 -4.891 -0.938 1.00 0.75 H new ATOM 0 HZ PHE B 261 -3.139 -5.997 -2.130 1.00 0.62 H new ATOM 2079 N VAL B 262 -3.252 -7.512 5.860 1.00 0.55 N ATOM 2080 CA VAL B 262 -3.301 -7.189 7.276 1.00 0.67 C ATOM 2081 C VAL B 262 -2.261 -6.105 7.574 1.00 0.54 C ATOM 2082 O VAL B 262 -1.222 -6.037 6.910 1.00 0.50 O ATOM 2083 CB VAL B 262 -3.023 -8.437 8.152 1.00 0.84 C ATOM 2084 CG1 VAL B 262 -1.593 -8.924 7.970 1.00 1.37 C ATOM 2085 CG2 VAL B 262 -3.313 -8.152 9.619 1.00 1.14 C ATOM 0 H VAL B 262 -2.313 -7.480 5.464 1.00 0.55 H new ATOM 0 HA VAL B 262 -4.302 -6.830 7.517 1.00 0.67 H new ATOM 0 HB VAL B 262 -3.695 -9.230 7.823 1.00 0.84 H new ATOM 0 HG11 VAL B 262 -1.425 -9.800 8.596 1.00 1.37 H new ATOM 0 HG12 VAL B 262 -1.428 -9.187 6.925 1.00 1.37 H new ATOM 0 HG13 VAL B 262 -0.900 -8.134 8.258 1.00 1.37 H new ATOM 0 HG21 VAL B 262 -3.109 -9.045 10.210 1.00 1.14 H new ATOM 0 HG22 VAL B 262 -2.678 -7.336 9.964 1.00 1.14 H new ATOM 0 HG23 VAL B 262 -4.360 -7.871 9.735 1.00 1.14 H new ATOM 2095 N GLU B 263 -2.547 -5.239 8.533 1.00 0.57 N ATOM 2096 CA GLU B 263 -1.585 -4.228 8.938 1.00 0.55 C ATOM 2097 C GLU B 263 -0.890 -4.679 10.220 1.00 0.56 C ATOM 2098 O GLU B 263 -1.545 -4.910 11.236 1.00 0.62 O ATOM 2099 CB GLU B 263 -2.269 -2.877 9.151 1.00 0.73 C ATOM 2100 CG GLU B 263 -1.292 -1.714 9.181 1.00 1.21 C ATOM 2101 CD GLU B 263 -1.882 -0.460 9.777 1.00 1.73 C ATOM 2102 OE1 GLU B 263 -2.511 -0.554 10.849 1.00 2.24 O ATOM 2103 OE2 GLU B 263 -1.721 0.625 9.181 1.00 2.20 O ATOM 0 H GLU B 263 -3.431 -5.216 9.042 1.00 0.57 H new ATOM 0 HA GLU B 263 -0.846 -4.106 8.146 1.00 0.55 H new ATOM 0 HB2 GLU B 263 -2.995 -2.714 8.354 1.00 0.73 H new ATOM 0 HB3 GLU B 263 -2.825 -2.901 10.088 1.00 0.73 H new ATOM 0 HG2 GLU B 263 -0.411 -2.002 9.755 1.00 1.21 H new ATOM 0 HG3 GLU B 263 -0.956 -1.503 8.166 1.00 1.21 H new