USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 754 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 83 ASN : amide:sc= -0.732 K(o=0.44,f=-4.8!) USER MOD Set 1.2: A 85 THR OG1 : rot 69:sc= 1.17 USER MOD Set 2.1: A 75 SER OG : rot -107:sc= -1.48 USER MOD Set 2.2: A 79 SER OG : rot 104:sc= 0.721 USER MOD Set 3.1: A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 31 LYS NZ :NH3+ -115:sc= -0.939 (180deg=-1.99!) USER MOD Set 4.1: A 6 LYS NZ :NH3+ -169:sc= 0 (180deg=0) USER MOD Set 4.2: A 41 MET CE :methyl 151:sc=-0.00669 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= -0.681 K(o=-0.68,f=-7.1!) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.482 USER MOD Single : A 13 ASN : amide:sc= -0.145 K(o=-0.15,f=-0.69) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.00923 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 166:sc= -0.0469 (180deg=-0.358) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 THR OG1 : rot -170:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -8.68! C(o=-8.7!,f=-18!) USER MOD Single : A 43 THR OG1 : rot 59:sc= 1.14 USER MOD Single : A 44 MET CE :methyl -112:sc= -0.351 (180deg=-0.665) USER MOD Single : A 48 LYS NZ :NH3+ -132:sc= -0.544 (180deg=-2.09!) USER MOD Single : A 49 ASN : amide:sc= 0 K(o=0,f=0.53) USER MOD Single : A 51 LYS NZ :NH3+ -172:sc= 0.809 (180deg=0.573) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 GLN : amide:sc= -0.395 X(o=-0.39,f=-0.16) USER MOD Single : A 68 HIS : no HD1:sc= -0.849 X(o=-0.85,f=-0.56) USER MOD Single : A 70 SER OG : rot 79:sc= -0.64 USER MOD Single : A 73 MET CE :methyl -145:sc= -0.356 (180deg=-1.76!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot -44:sc= -0.819 USER MOD Single : A 90 ASN : amide:sc= -4.02! C(o=-4!,f=-10!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= -0.217 USER MOD Single : A 96 ASN : amide:sc= -1.39 K(o=-1.4,f=-0.43) USER MOD Single : A 97 HIS : no HE2:sc= -2.9 X(o=-2.9,f=-3.4!) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot -127:sc= -1.37 USER MOD Single : A 100 HIS : no HD1:sc= -0.28 X(o=-0.28,f=0.0016) USER MOD ----------------------------------------------------------------- ATOM 15 N ASN A 5 0.692 21.464 -2.835 1.00 0.76 N ATOM 16 CA ASN A 5 0.563 21.192 -1.404 1.00 0.53 C ATOM 17 C ASN A 5 -0.045 19.812 -1.169 1.00 0.49 C ATOM 18 O ASN A 5 0.005 18.947 -2.044 1.00 0.60 O ATOM 19 CB ASN A 5 -0.293 22.258 -0.701 1.00 0.52 C ATOM 20 CG ASN A 5 -0.557 23.494 -1.547 1.00 0.63 C ATOM 21 OD1 ASN A 5 -1.144 23.409 -2.625 1.00 1.19 O ATOM 22 ND2 ASN A 5 -0.124 24.650 -1.056 1.00 1.41 N ATOM 0 HA ASN A 5 1.566 21.221 -0.979 1.00 0.53 H new ATOM 0 HB2 ASN A 5 -1.247 21.814 -0.417 1.00 0.52 H new ATOM 0 HB3 ASN A 5 0.205 22.560 0.220 1.00 0.52 H new ATOM 0 HD21 ASN A 5 -0.274 25.514 -1.577 1.00 1.41 H new ATOM 0 HD22 ASN A 5 0.358 24.674 -0.158 1.00 1.41 H new ATOM 29 N LYS A 6 -0.608 19.603 0.023 1.00 0.45 N ATOM 30 CA LYS A 6 -1.209 18.320 0.360 1.00 0.49 C ATOM 31 C LYS A 6 -2.726 18.409 0.492 1.00 0.49 C ATOM 32 O LYS A 6 -3.263 19.327 1.114 1.00 0.56 O ATOM 33 CB LYS A 6 -0.614 17.781 1.657 1.00 0.64 C ATOM 34 CG LYS A 6 0.825 17.311 1.518 1.00 1.28 C ATOM 35 CD LYS A 6 1.789 18.485 1.465 1.00 1.76 C ATOM 36 CE LYS A 6 3.019 18.234 2.322 1.00 2.52 C ATOM 37 NZ LYS A 6 3.886 19.439 2.417 1.00 3.06 N ATOM 0 H LYS A 6 -0.658 20.303 0.763 1.00 0.45 H new ATOM 0 HA LYS A 6 -0.986 17.638 -0.461 1.00 0.49 H new ATOM 0 HB2 LYS A 6 -0.661 18.559 2.419 1.00 0.64 H new ATOM 0 HB3 LYS A 6 -1.226 16.951 2.010 1.00 0.64 H new ATOM 0 HG2 LYS A 6 1.081 16.665 2.358 1.00 1.28 H new ATOM 0 HG3 LYS A 6 0.928 16.712 0.613 1.00 1.28 H new ATOM 0 HD2 LYS A 6 2.093 18.661 0.433 1.00 1.76 H new ATOM 0 HD3 LYS A 6 1.284 19.388 1.807 1.00 1.76 H new ATOM 0 HE2 LYS A 6 2.709 17.931 3.322 1.00 2.52 H new ATOM 0 HE3 LYS A 6 3.592 17.407 1.901 1.00 2.52 H new ATOM 0 HZ1 LYS A 6 4.796 19.179 2.848 1.00 3.06 H new ATOM 0 HZ2 LYS A 6 4.051 19.824 1.465 1.00 3.06 H new ATOM 0 HZ3 LYS A 6 3.418 20.158 3.005 1.00 3.06 H new ATOM 51 N ARG A 7 -3.399 17.415 -0.073 1.00 0.50 N ATOM 52 CA ARG A 7 -4.848 17.309 -0.024 1.00 0.52 C ATOM 53 C ARG A 7 -5.241 15.836 -0.087 1.00 0.47 C ATOM 54 O ARG A 7 -4.894 15.133 -1.045 1.00 0.43 O ATOM 55 CB ARG A 7 -5.500 18.077 -1.177 1.00 0.57 C ATOM 56 CG ARG A 7 -5.476 19.583 -0.990 1.00 0.77 C ATOM 57 CD ARG A 7 -4.165 20.177 -1.470 1.00 0.64 C ATOM 58 NE ARG A 7 -4.375 21.252 -2.435 1.00 0.98 N ATOM 59 CZ ARG A 7 -3.478 21.621 -3.346 1.00 1.66 C ATOM 60 NH1 ARG A 7 -2.302 21.012 -3.416 1.00 2.46 N ATOM 61 NH2 ARG A 7 -3.757 22.605 -4.190 1.00 2.11 N ATOM 0 H ARG A 7 -2.949 16.654 -0.582 1.00 0.50 H new ATOM 0 HA ARG A 7 -5.201 17.749 0.909 1.00 0.52 H new ATOM 0 HB2 ARG A 7 -4.988 17.826 -2.106 1.00 0.57 H new ATOM 0 HB3 ARG A 7 -6.534 17.748 -1.284 1.00 0.57 H new ATOM 0 HG2 ARG A 7 -6.304 20.033 -1.538 1.00 0.77 H new ATOM 0 HG3 ARG A 7 -5.623 19.823 0.063 1.00 0.77 H new ATOM 0 HD2 ARG A 7 -3.606 20.560 -0.616 1.00 0.64 H new ATOM 0 HD3 ARG A 7 -3.557 19.395 -1.925 1.00 0.64 H new ATOM 0 HE ARG A 7 -5.264 21.751 -2.409 1.00 0.98 H new ATOM 0 HH11 ARG A 7 -2.080 20.255 -2.769 1.00 2.46 H new ATOM 0 HH12 ARG A 7 -1.619 21.300 -4.117 1.00 2.46 H new ATOM 0 HH21 ARG A 7 -4.659 23.079 -4.141 1.00 2.11 H new ATOM 0 HH22 ARG A 7 -3.070 22.888 -4.888 1.00 2.11 H new ATOM 75 N ALA A 8 -5.946 15.375 0.941 1.00 0.50 N ATOM 76 CA ALA A 8 -6.371 13.982 1.031 1.00 0.47 C ATOM 77 C ALA A 8 -6.936 13.465 -0.292 1.00 0.44 C ATOM 78 O ALA A 8 -8.019 13.873 -0.712 1.00 0.56 O ATOM 79 CB ALA A 8 -7.406 13.826 2.135 1.00 0.54 C ATOM 0 H ALA A 8 -6.237 15.952 1.730 1.00 0.50 H new ATOM 0 HA ALA A 8 -5.490 13.385 1.265 1.00 0.47 H new ATOM 0 HB1 ALA A 8 -7.718 12.784 2.196 1.00 0.54 H new ATOM 0 HB2 ALA A 8 -6.971 14.131 3.087 1.00 0.54 H new ATOM 0 HB3 ALA A 8 -8.271 14.452 1.914 1.00 0.54 H new ATOM 85 N PRO A 9 -6.219 12.543 -0.964 1.00 0.36 N ATOM 86 CA PRO A 9 -6.671 11.965 -2.230 1.00 0.37 C ATOM 87 C PRO A 9 -7.838 11.006 -2.026 1.00 0.37 C ATOM 88 O PRO A 9 -7.758 10.079 -1.220 1.00 0.40 O ATOM 89 CB PRO A 9 -5.439 11.208 -2.759 1.00 0.39 C ATOM 90 CG PRO A 9 -4.310 11.574 -1.850 1.00 0.51 C ATOM 91 CD PRO A 9 -4.930 11.980 -0.546 1.00 0.41 C ATOM 0 HA PRO A 9 -7.032 12.728 -2.919 1.00 0.37 H new ATOM 0 HB2 PRO A 9 -5.611 10.132 -2.754 1.00 0.39 H new ATOM 0 HB3 PRO A 9 -5.219 11.491 -3.788 1.00 0.39 H new ATOM 0 HG2 PRO A 9 -3.633 10.731 -1.712 1.00 0.51 H new ATOM 0 HG3 PRO A 9 -3.722 12.389 -2.271 1.00 0.51 H new ATOM 0 HD2 PRO A 9 -5.058 11.130 0.124 1.00 0.41 H new ATOM 0 HD3 PRO A 9 -4.320 12.713 -0.018 1.00 0.41 H new ATOM 99 N TYR A 10 -8.926 11.240 -2.752 1.00 0.38 N ATOM 100 CA TYR A 10 -10.111 10.397 -2.638 1.00 0.41 C ATOM 101 C TYR A 10 -9.982 9.151 -3.506 1.00 0.38 C ATOM 102 O TYR A 10 -9.692 9.236 -4.699 1.00 0.44 O ATOM 103 CB TYR A 10 -11.361 11.181 -3.039 1.00 0.49 C ATOM 104 CG TYR A 10 -11.332 11.683 -4.464 1.00 1.15 C ATOM 105 CD1 TYR A 10 -11.753 10.874 -5.512 1.00 1.90 C ATOM 106 CD2 TYR A 10 -10.883 12.962 -4.762 1.00 2.02 C ATOM 107 CE1 TYR A 10 -11.728 11.328 -6.817 1.00 2.78 C ATOM 108 CE2 TYR A 10 -10.853 13.424 -6.065 1.00 2.96 C ATOM 109 CZ TYR A 10 -11.277 12.603 -7.087 1.00 3.18 C ATOM 110 OH TYR A 10 -11.249 13.057 -8.386 1.00 4.20 O ATOM 0 H TYR A 10 -9.012 12.003 -3.423 1.00 0.38 H new ATOM 0 HA TYR A 10 -10.202 10.085 -1.598 1.00 0.41 H new ATOM 0 HB2 TYR A 10 -12.236 10.545 -2.905 1.00 0.49 H new ATOM 0 HB3 TYR A 10 -11.478 12.031 -2.366 1.00 0.49 H new ATOM 0 HD1 TYR A 10 -12.105 9.875 -5.304 1.00 1.90 H new ATOM 0 HD2 TYR A 10 -10.551 13.608 -3.962 1.00 2.02 H new ATOM 0 HE1 TYR A 10 -12.060 10.688 -7.621 1.00 2.78 H new ATOM 0 HE2 TYR A 10 -10.500 14.422 -6.280 1.00 2.96 H new ATOM 0 HH TYR A 10 -10.906 13.975 -8.404 1.00 4.20 H new ATOM 120 N TRP A 11 -10.199 7.992 -2.892 1.00 0.47 N ATOM 121 CA TRP A 11 -10.107 6.721 -3.600 1.00 0.49 C ATOM 122 C TRP A 11 -11.060 6.688 -4.791 1.00 0.42 C ATOM 123 O TRP A 11 -12.214 7.102 -4.688 1.00 0.45 O ATOM 124 CB TRP A 11 -10.426 5.564 -2.651 1.00 0.60 C ATOM 125 CG TRP A 11 -11.819 5.615 -2.105 1.00 0.83 C ATOM 126 CD1 TRP A 11 -12.965 5.259 -2.753 1.00 1.71 C ATOM 127 CD2 TRP A 11 -12.214 6.050 -0.799 1.00 1.65 C ATOM 128 NE1 TRP A 11 -14.051 5.446 -1.930 1.00 2.26 N ATOM 129 CE2 TRP A 11 -13.616 5.931 -0.726 1.00 2.17 C ATOM 130 CE3 TRP A 11 -11.520 6.530 0.316 1.00 2.60 C ATOM 131 CZ2 TRP A 11 -14.332 6.273 0.419 1.00 3.03 C ATOM 132 CZ3 TRP A 11 -12.235 6.869 1.450 1.00 3.54 C ATOM 133 CH2 TRP A 11 -13.628 6.738 1.494 1.00 3.60 C ATOM 0 H TRP A 11 -10.440 7.907 -1.905 1.00 0.47 H new ATOM 0 HA TRP A 11 -9.087 6.614 -3.970 1.00 0.49 H new ATOM 0 HB2 TRP A 11 -10.284 4.621 -3.178 1.00 0.60 H new ATOM 0 HB3 TRP A 11 -9.718 5.576 -1.823 1.00 0.60 H new ATOM 0 HD1 TRP A 11 -13.013 4.885 -3.765 1.00 1.71 H new ATOM 0 HE1 TRP A 11 -15.022 5.255 -2.177 1.00 2.26 H new ATOM 0 HE3 TRP A 11 -10.445 6.634 0.292 1.00 2.60 H new ATOM 0 HZ2 TRP A 11 -15.407 6.174 0.456 1.00 3.03 H new ATOM 0 HZ3 TRP A 11 -11.709 7.241 2.317 1.00 3.54 H new ATOM 0 HH2 TRP A 11 -14.157 7.010 2.396 1.00 3.60 H new ATOM 144 N THR A 12 -10.569 6.185 -5.919 1.00 0.45 N ATOM 145 CA THR A 12 -11.378 6.088 -7.126 1.00 0.50 C ATOM 146 C THR A 12 -11.972 4.690 -7.252 1.00 0.55 C ATOM 147 O THR A 12 -13.180 4.529 -7.429 1.00 0.64 O ATOM 148 CB THR A 12 -10.552 6.398 -8.389 1.00 0.61 C ATOM 149 OG1 THR A 12 -9.704 5.287 -8.706 1.00 1.28 O ATOM 150 CG2 THR A 12 -9.706 7.646 -8.189 1.00 1.23 C ATOM 0 H THR A 12 -9.615 5.839 -6.021 1.00 0.45 H new ATOM 0 HA THR A 12 -12.176 6.826 -7.042 1.00 0.50 H new ATOM 0 HB THR A 12 -11.243 6.574 -9.213 1.00 0.61 H new ATOM 0 HG1 THR A 12 -9.184 5.492 -9.511 1.00 1.28 H new ATOM 0 HG21 THR A 12 -9.132 7.845 -9.094 1.00 1.23 H new ATOM 0 HG22 THR A 12 -10.355 8.496 -7.977 1.00 1.23 H new ATOM 0 HG23 THR A 12 -9.024 7.493 -7.353 1.00 1.23 H new ATOM 158 N ASN A 13 -11.113 3.685 -7.142 1.00 0.56 N ATOM 159 CA ASN A 13 -11.544 2.297 -7.223 1.00 0.66 C ATOM 160 C ASN A 13 -11.655 1.700 -5.829 1.00 0.63 C ATOM 161 O ASN A 13 -10.724 1.796 -5.030 1.00 0.58 O ATOM 162 CB ASN A 13 -10.555 1.475 -8.055 1.00 0.73 C ATOM 163 CG ASN A 13 -11.044 0.063 -8.306 1.00 1.35 C ATOM 164 OD1 ASN A 13 -10.908 -0.815 -7.455 1.00 2.05 O ATOM 165 ND2 ASN A 13 -11.617 -0.163 -9.484 1.00 1.96 N ATOM 0 H ASN A 13 -10.111 3.807 -6.996 1.00 0.56 H new ATOM 0 HA ASN A 13 -12.521 2.270 -7.706 1.00 0.66 H new ATOM 0 HB2 ASN A 13 -10.386 1.973 -9.010 1.00 0.73 H new ATOM 0 HB3 ASN A 13 -9.595 1.438 -7.541 1.00 0.73 H new ATOM 0 HD21 ASN A 13 -11.965 -1.094 -9.712 1.00 1.96 H new ATOM 0 HD22 ASN A 13 -11.709 0.595 -10.160 1.00 1.96 H new ATOM 172 N THR A 14 -12.790 1.076 -5.536 1.00 0.74 N ATOM 173 CA THR A 14 -12.989 0.467 -4.233 1.00 0.78 C ATOM 174 C THR A 14 -12.008 -0.679 -4.041 1.00 0.76 C ATOM 175 O THR A 14 -11.729 -1.429 -4.976 1.00 0.78 O ATOM 176 CB THR A 14 -14.426 -0.060 -4.065 1.00 0.92 C ATOM 177 OG1 THR A 14 -14.846 -0.732 -5.259 1.00 1.06 O ATOM 178 CG2 THR A 14 -15.385 1.082 -3.757 1.00 1.15 C ATOM 0 H THR A 14 -13.577 0.981 -6.178 1.00 0.74 H new ATOM 0 HA THR A 14 -12.817 1.236 -3.480 1.00 0.78 H new ATOM 0 HB THR A 14 -14.438 -0.762 -3.231 1.00 0.92 H new ATOM 0 HG1 THR A 14 -15.760 -1.065 -5.142 1.00 1.06 H new ATOM 0 HG21 THR A 14 -16.395 0.688 -3.642 1.00 1.15 H new ATOM 0 HG22 THR A 14 -15.080 1.574 -2.833 1.00 1.15 H new ATOM 0 HG23 THR A 14 -15.367 1.802 -4.575 1.00 1.15 H new ATOM 186 N GLU A 15 -11.489 -0.821 -2.828 1.00 0.76 N ATOM 187 CA GLU A 15 -10.543 -1.887 -2.538 1.00 0.77 C ATOM 188 C GLU A 15 -11.243 -3.238 -2.450 1.00 0.82 C ATOM 189 O GLU A 15 -10.592 -4.279 -2.482 1.00 0.82 O ATOM 190 CB GLU A 15 -9.808 -1.609 -1.229 1.00 0.79 C ATOM 191 CG GLU A 15 -10.736 -1.489 -0.031 1.00 1.35 C ATOM 192 CD GLU A 15 -10.624 -0.146 0.665 1.00 1.75 C ATOM 193 OE1 GLU A 15 -10.308 0.852 -0.017 1.00 2.06 O ATOM 194 OE2 GLU A 15 -10.852 -0.092 1.892 1.00 2.50 O ATOM 0 H GLU A 15 -11.706 -0.216 -2.036 1.00 0.76 H new ATOM 0 HA GLU A 15 -9.824 -1.920 -3.357 1.00 0.77 H new ATOM 0 HB2 GLU A 15 -9.092 -2.410 -1.046 1.00 0.79 H new ATOM 0 HB3 GLU A 15 -9.236 -0.687 -1.330 1.00 0.79 H new ATOM 0 HG2 GLU A 15 -11.765 -1.640 -0.357 1.00 1.35 H new ATOM 0 HG3 GLU A 15 -10.508 -2.282 0.681 1.00 1.35 H new ATOM 201 N LYS A 16 -12.572 -3.218 -2.375 1.00 0.88 N ATOM 202 CA LYS A 16 -13.335 -4.453 -2.309 1.00 0.95 C ATOM 203 C LYS A 16 -13.367 -5.132 -3.673 1.00 0.98 C ATOM 204 O LYS A 16 -13.602 -6.337 -3.772 1.00 1.01 O ATOM 205 CB LYS A 16 -14.757 -4.191 -1.818 1.00 1.04 C ATOM 206 CG LYS A 16 -15.527 -5.462 -1.498 1.00 1.44 C ATOM 207 CD LYS A 16 -16.080 -5.439 -0.082 1.00 1.61 C ATOM 208 CE LYS A 16 -17.574 -5.162 -0.074 1.00 2.37 C ATOM 209 NZ LYS A 16 -18.310 -6.111 0.807 1.00 2.83 N ATOM 0 H LYS A 16 -13.134 -2.367 -2.359 1.00 0.88 H new ATOM 0 HA LYS A 16 -12.843 -5.116 -1.597 1.00 0.95 H new ATOM 0 HB2 LYS A 16 -14.716 -3.565 -0.927 1.00 1.04 H new ATOM 0 HB3 LYS A 16 -15.298 -3.628 -2.578 1.00 1.04 H new ATOM 0 HG2 LYS A 16 -16.346 -5.580 -2.207 1.00 1.44 H new ATOM 0 HG3 LYS A 16 -14.873 -6.325 -1.620 1.00 1.44 H new ATOM 0 HD2 LYS A 16 -15.883 -6.395 0.402 1.00 1.61 H new ATOM 0 HD3 LYS A 16 -15.564 -4.675 0.499 1.00 1.61 H new ATOM 0 HE2 LYS A 16 -17.752 -4.141 0.263 1.00 2.37 H new ATOM 0 HE3 LYS A 16 -17.962 -5.234 -1.090 1.00 2.37 H new ATOM 0 HZ1 LYS A 16 -19.326 -5.889 0.785 1.00 2.83 H new ATOM 0 HZ2 LYS A 16 -18.161 -7.084 0.470 1.00 2.83 H new ATOM 0 HZ3 LYS A 16 -17.958 -6.024 1.782 1.00 2.83 H new ATOM 223 N MET A 17 -13.111 -4.355 -4.725 1.00 0.98 N ATOM 224 CA MET A 17 -13.090 -4.886 -6.079 1.00 1.04 C ATOM 225 C MET A 17 -11.683 -4.792 -6.659 1.00 1.03 C ATOM 226 O MET A 17 -11.498 -4.841 -7.875 1.00 1.17 O ATOM 227 CB MET A 17 -14.072 -4.117 -6.967 1.00 1.21 C ATOM 228 CG MET A 17 -15.454 -3.965 -6.354 1.00 1.44 C ATOM 229 SD MET A 17 -16.536 -2.902 -7.328 1.00 1.83 S ATOM 230 CE MET A 17 -16.684 -3.859 -8.835 1.00 2.16 C ATOM 0 H MET A 17 -12.916 -3.356 -4.661 1.00 0.98 H new ATOM 0 HA MET A 17 -13.391 -5.933 -6.046 1.00 1.04 H new ATOM 0 HB2 MET A 17 -13.664 -3.127 -7.173 1.00 1.21 H new ATOM 0 HB3 MET A 17 -14.162 -4.631 -7.924 1.00 1.21 H new ATOM 0 HG2 MET A 17 -15.913 -4.949 -6.254 1.00 1.44 H new ATOM 0 HG3 MET A 17 -15.358 -3.555 -5.349 1.00 1.44 H new ATOM 0 HE1 MET A 17 -17.506 -3.469 -9.435 1.00 2.16 H new ATOM 0 HE2 MET A 17 -15.756 -3.790 -9.403 1.00 2.16 H new ATOM 0 HE3 MET A 17 -16.880 -4.902 -8.586 1.00 2.16 H new ATOM 240 N GLU A 18 -10.693 -4.650 -5.779 1.00 0.95 N ATOM 241 CA GLU A 18 -9.305 -4.541 -6.200 1.00 1.06 C ATOM 242 C GLU A 18 -8.505 -5.738 -5.699 1.00 0.96 C ATOM 243 O GLU A 18 -8.234 -6.674 -6.452 1.00 1.57 O ATOM 244 CB GLU A 18 -8.718 -3.220 -5.678 1.00 1.43 C ATOM 245 CG GLU A 18 -7.200 -3.184 -5.549 1.00 1.29 C ATOM 246 CD GLU A 18 -6.748 -3.122 -4.101 1.00 2.13 C ATOM 247 OE1 GLU A 18 -7.492 -2.555 -3.272 1.00 2.56 O ATOM 248 OE2 GLU A 18 -5.654 -3.638 -3.796 1.00 2.88 O ATOM 0 H GLU A 18 -10.831 -4.608 -4.769 1.00 0.95 H new ATOM 0 HA GLU A 18 -9.251 -4.540 -7.289 1.00 1.06 H new ATOM 0 HB2 GLU A 18 -9.028 -2.416 -6.345 1.00 1.43 H new ATOM 0 HB3 GLU A 18 -9.154 -3.010 -4.701 1.00 1.43 H new ATOM 0 HG2 GLU A 18 -6.776 -4.069 -6.022 1.00 1.29 H new ATOM 0 HG3 GLU A 18 -6.812 -2.319 -6.086 1.00 1.29 H new ATOM 255 N LYS A 19 -8.121 -5.701 -4.428 1.00 0.84 N ATOM 256 CA LYS A 19 -7.343 -6.785 -3.850 1.00 1.08 C ATOM 257 C LYS A 19 -7.513 -6.875 -2.334 1.00 0.87 C ATOM 258 O LYS A 19 -6.695 -6.341 -1.586 1.00 0.87 O ATOM 259 CB LYS A 19 -5.864 -6.613 -4.197 1.00 1.66 C ATOM 260 CG LYS A 19 -5.336 -7.671 -5.153 1.00 2.57 C ATOM 261 CD LYS A 19 -5.482 -9.070 -4.576 1.00 2.87 C ATOM 262 CE LYS A 19 -4.248 -9.916 -4.847 1.00 3.55 C ATOM 263 NZ LYS A 19 -4.274 -10.519 -6.210 1.00 4.14 N ATOM 0 H LYS A 19 -8.334 -4.939 -3.785 1.00 0.84 H new ATOM 0 HA LYS A 19 -7.717 -7.715 -4.278 1.00 1.08 H new ATOM 0 HB2 LYS A 19 -5.716 -5.628 -4.640 1.00 1.66 H new ATOM 0 HB3 LYS A 19 -5.278 -6.641 -3.278 1.00 1.66 H new ATOM 0 HG2 LYS A 19 -5.874 -7.609 -6.099 1.00 2.57 H new ATOM 0 HG3 LYS A 19 -4.286 -7.474 -5.370 1.00 2.57 H new ATOM 0 HD2 LYS A 19 -5.651 -9.006 -3.501 1.00 2.87 H new ATOM 0 HD3 LYS A 19 -6.358 -9.553 -5.008 1.00 2.87 H new ATOM 0 HE2 LYS A 19 -3.355 -9.300 -4.740 1.00 3.55 H new ATOM 0 HE3 LYS A 19 -4.180 -10.708 -4.101 1.00 3.55 H new ATOM 0 HZ1 LYS A 19 -3.415 -11.088 -6.354 1.00 4.14 H new ATOM 0 HZ2 LYS A 19 -5.112 -11.127 -6.305 1.00 4.14 H new ATOM 0 HZ3 LYS A 19 -4.313 -9.763 -6.923 1.00 4.14 H new ATOM 277 N ARG A 20 -8.550 -7.582 -1.877 1.00 0.98 N ATOM 278 CA ARG A 20 -8.758 -7.751 -0.441 1.00 0.92 C ATOM 279 C ARG A 20 -8.623 -9.209 -0.038 1.00 0.94 C ATOM 280 O ARG A 20 -7.512 -9.665 0.214 1.00 1.30 O ATOM 281 CB ARG A 20 -10.100 -7.204 0.053 1.00 0.95 C ATOM 282 CG ARG A 20 -11.149 -7.022 -1.028 1.00 1.64 C ATOM 283 CD ARG A 20 -12.531 -7.410 -0.525 1.00 2.15 C ATOM 284 NE ARG A 20 -13.280 -8.177 -1.516 1.00 2.67 N ATOM 285 CZ ARG A 20 -14.422 -8.805 -1.252 1.00 3.29 C ATOM 286 NH1 ARG A 20 -14.945 -8.749 -0.037 1.00 3.51 N ATOM 287 NH2 ARG A 20 -15.038 -9.490 -2.205 1.00 4.11 N ATOM 0 H ARG A 20 -9.245 -8.038 -2.469 1.00 0.98 H new ATOM 0 HA ARG A 20 -7.976 -7.161 0.038 1.00 0.92 H new ATOM 0 HB2 ARG A 20 -10.494 -7.879 0.812 1.00 0.95 H new ATOM 0 HB3 ARG A 20 -9.928 -6.243 0.539 1.00 0.95 H new ATOM 0 HG2 ARG A 20 -11.158 -5.983 -1.358 1.00 1.64 H new ATOM 0 HG3 ARG A 20 -10.891 -7.630 -1.895 1.00 1.64 H new ATOM 0 HD2 ARG A 20 -12.433 -7.997 0.388 1.00 2.15 H new ATOM 0 HD3 ARG A 20 -13.088 -6.510 -0.267 1.00 2.15 H new ATOM 0 HE ARG A 20 -12.907 -8.234 -2.463 1.00 2.67 H new ATOM 0 HH11 ARG A 20 -14.472 -8.224 0.698 1.00 3.51 H new ATOM 0 HH12 ARG A 20 -15.821 -9.231 0.164 1.00 3.51 H new ATOM 0 HH21 ARG A 20 -14.636 -9.536 -3.141 1.00 4.11 H new ATOM 0 HH22 ARG A 20 -15.914 -9.972 -2.002 1.00 4.11 H new ATOM 348 N VAL A 24 -1.888 -14.930 -1.006 1.00 0.78 N ATOM 349 CA VAL A 24 -0.553 -14.483 -1.376 1.00 0.74 C ATOM 350 C VAL A 24 0.431 -15.655 -1.406 1.00 0.68 C ATOM 351 O VAL A 24 0.547 -16.398 -0.432 1.00 0.77 O ATOM 352 CB VAL A 24 -0.025 -13.419 -0.395 1.00 0.81 C ATOM 353 CG1 VAL A 24 1.300 -12.853 -0.883 1.00 1.32 C ATOM 354 CG2 VAL A 24 -1.049 -12.313 -0.202 1.00 1.30 C ATOM 0 HA VAL A 24 -0.631 -14.046 -2.372 1.00 0.74 H new ATOM 0 HB VAL A 24 0.144 -13.895 0.571 1.00 0.81 H new ATOM 0 HG11 VAL A 24 1.657 -12.103 -0.177 1.00 1.32 H new ATOM 0 HG12 VAL A 24 2.032 -13.657 -0.960 1.00 1.32 H new ATOM 0 HG13 VAL A 24 1.161 -12.393 -1.861 1.00 1.32 H new ATOM 0 HG21 VAL A 24 -0.657 -11.572 0.494 1.00 1.30 H new ATOM 0 HG22 VAL A 24 -1.256 -11.837 -1.161 1.00 1.30 H new ATOM 0 HG23 VAL A 24 -1.970 -12.736 0.199 1.00 1.30 H new ATOM 364 N PRO A 25 1.155 -15.836 -2.527 1.00 0.61 N ATOM 365 CA PRO A 25 2.126 -16.922 -2.668 1.00 0.63 C ATOM 366 C PRO A 25 3.439 -16.620 -1.956 1.00 0.57 C ATOM 367 O PRO A 25 4.016 -15.546 -2.128 1.00 0.52 O ATOM 368 CB PRO A 25 2.344 -16.991 -4.177 1.00 0.72 C ATOM 369 CG PRO A 25 2.138 -15.592 -4.642 1.00 0.71 C ATOM 370 CD PRO A 25 1.086 -15.001 -3.741 1.00 0.65 C ATOM 0 HA PRO A 25 1.771 -17.853 -2.226 1.00 0.63 H new ATOM 0 HB2 PRO A 25 3.345 -17.347 -4.418 1.00 0.72 H new ATOM 0 HB3 PRO A 25 1.640 -17.675 -4.650 1.00 0.72 H new ATOM 0 HG2 PRO A 25 3.065 -15.022 -4.584 1.00 0.71 H new ATOM 0 HG3 PRO A 25 1.816 -15.571 -5.683 1.00 0.71 H new ATOM 0 HD2 PRO A 25 1.292 -13.954 -3.519 1.00 0.65 H new ATOM 0 HD3 PRO A 25 0.098 -15.042 -4.199 1.00 0.65 H new ATOM 378 N ALA A 26 3.906 -17.571 -1.157 1.00 0.61 N ATOM 379 CA ALA A 26 5.154 -17.402 -0.421 1.00 0.60 C ATOM 380 C ALA A 26 6.354 -17.377 -1.362 1.00 0.54 C ATOM 381 O ALA A 26 6.419 -18.146 -2.322 1.00 0.58 O ATOM 382 CB ALA A 26 5.311 -18.511 0.607 1.00 0.71 C ATOM 0 H ALA A 26 3.441 -18.466 -1.002 1.00 0.61 H new ATOM 0 HA ALA A 26 5.114 -16.442 0.095 1.00 0.60 H new ATOM 0 HB1 ALA A 26 6.246 -18.374 1.150 1.00 0.71 H new ATOM 0 HB2 ALA A 26 4.477 -18.479 1.308 1.00 0.71 H new ATOM 0 HB3 ALA A 26 5.323 -19.477 0.102 1.00 0.71 H new ATOM 388 N ALA A 27 7.306 -16.491 -1.075 1.00 0.50 N ATOM 389 CA ALA A 27 8.515 -16.362 -1.887 1.00 0.48 C ATOM 390 C ALA A 27 8.237 -15.646 -3.207 1.00 0.43 C ATOM 391 O ALA A 27 9.027 -15.739 -4.147 1.00 0.46 O ATOM 392 CB ALA A 27 9.129 -17.731 -2.148 1.00 0.55 C ATOM 0 H ALA A 27 7.263 -15.849 -0.283 1.00 0.50 H new ATOM 0 HA ALA A 27 9.224 -15.755 -1.324 1.00 0.48 H new ATOM 0 HB1 ALA A 27 10.028 -17.617 -2.754 1.00 0.55 H new ATOM 0 HB2 ALA A 27 9.388 -18.201 -1.199 1.00 0.55 H new ATOM 0 HB3 ALA A 27 8.411 -18.357 -2.678 1.00 0.55 H new ATOM 398 N ASN A 28 7.116 -14.933 -3.278 1.00 0.39 N ATOM 399 CA ASN A 28 6.750 -14.207 -4.490 1.00 0.36 C ATOM 400 C ASN A 28 6.552 -12.720 -4.204 1.00 0.30 C ATOM 401 O ASN A 28 6.456 -12.307 -3.049 1.00 0.29 O ATOM 402 CB ASN A 28 5.472 -14.793 -5.094 1.00 0.40 C ATOM 403 CG ASN A 28 5.705 -15.411 -6.458 1.00 0.77 C ATOM 404 OD1 ASN A 28 6.415 -16.409 -6.587 1.00 1.42 O ATOM 405 ND2 ASN A 28 5.108 -14.820 -7.486 1.00 1.36 N ATOM 0 H ASN A 28 6.447 -14.843 -2.513 1.00 0.39 H new ATOM 0 HA ASN A 28 7.567 -14.314 -5.203 1.00 0.36 H new ATOM 0 HB2 ASN A 28 5.069 -15.549 -4.420 1.00 0.40 H new ATOM 0 HB3 ASN A 28 4.721 -14.008 -5.178 1.00 0.40 H new ATOM 0 HD21 ASN A 28 5.229 -15.191 -8.428 1.00 1.36 H new ATOM 0 HD22 ASN A 28 4.528 -13.995 -7.333 1.00 1.36 H new ATOM 412 N THR A 29 6.481 -11.923 -5.268 1.00 0.30 N ATOM 413 CA THR A 29 6.284 -10.485 -5.133 1.00 0.28 C ATOM 414 C THR A 29 4.810 -10.168 -4.907 1.00 0.30 C ATOM 415 O THR A 29 3.939 -10.711 -5.589 1.00 0.33 O ATOM 416 CB THR A 29 6.777 -9.725 -6.377 1.00 0.32 C ATOM 417 OG1 THR A 29 5.808 -9.819 -7.427 1.00 0.96 O ATOM 418 CG2 THR A 29 8.109 -10.281 -6.861 1.00 0.92 C ATOM 0 H THR A 29 6.557 -12.250 -6.231 1.00 0.30 H new ATOM 0 HA THR A 29 6.869 -10.160 -4.272 1.00 0.28 H new ATOM 0 HB THR A 29 6.915 -8.679 -6.102 1.00 0.32 H new ATOM 0 HG1 THR A 29 6.193 -9.472 -8.259 1.00 0.96 H new ATOM 0 HG21 THR A 29 8.436 -9.727 -7.741 1.00 0.92 H new ATOM 0 HG22 THR A 29 8.854 -10.181 -6.071 1.00 0.92 H new ATOM 0 HG23 THR A 29 7.992 -11.334 -7.118 1.00 0.92 H new ATOM 426 N VAL A 30 4.531 -9.308 -3.934 1.00 0.33 N ATOM 427 CA VAL A 30 3.155 -8.950 -3.609 1.00 0.39 C ATOM 428 C VAL A 30 2.732 -7.618 -4.221 1.00 0.35 C ATOM 429 O VAL A 30 3.403 -6.598 -4.058 1.00 0.35 O ATOM 430 CB VAL A 30 2.945 -8.884 -2.087 1.00 0.47 C ATOM 431 CG1 VAL A 30 1.479 -8.630 -1.761 1.00 0.56 C ATOM 432 CG2 VAL A 30 3.430 -10.164 -1.425 1.00 0.57 C ATOM 0 H VAL A 30 5.236 -8.847 -3.358 1.00 0.33 H new ATOM 0 HA VAL A 30 2.534 -9.736 -4.038 1.00 0.39 H new ATOM 0 HB VAL A 30 3.531 -8.054 -1.693 1.00 0.47 H new ATOM 0 HG11 VAL A 30 1.349 -8.586 -0.680 1.00 0.56 H new ATOM 0 HG12 VAL A 30 1.167 -7.684 -2.203 1.00 0.56 H new ATOM 0 HG13 VAL A 30 0.871 -9.438 -2.167 1.00 0.56 H new ATOM 0 HG21 VAL A 30 3.273 -10.099 -0.348 1.00 0.57 H new ATOM 0 HG22 VAL A 30 2.873 -11.013 -1.822 1.00 0.57 H new ATOM 0 HG23 VAL A 30 4.492 -10.300 -1.629 1.00 0.57 H new ATOM 442 N LYS A 31 1.597 -7.645 -4.912 1.00 0.34 N ATOM 443 CA LYS A 31 1.041 -6.452 -5.542 1.00 0.33 C ATOM 444 C LYS A 31 0.248 -5.646 -4.519 1.00 0.33 C ATOM 445 O LYS A 31 -0.570 -6.200 -3.783 1.00 0.38 O ATOM 446 CB LYS A 31 0.137 -6.853 -6.730 1.00 0.38 C ATOM 447 CG LYS A 31 -0.893 -5.792 -7.155 1.00 0.60 C ATOM 448 CD LYS A 31 -2.066 -6.382 -7.936 1.00 0.82 C ATOM 449 CE LYS A 31 -2.612 -7.650 -7.298 1.00 1.34 C ATOM 450 NZ LYS A 31 -1.944 -8.870 -7.831 1.00 1.98 N ATOM 0 H LYS A 31 1.040 -8.488 -5.051 1.00 0.34 H new ATOM 0 HA LYS A 31 1.856 -5.834 -5.918 1.00 0.33 H new ATOM 0 HB2 LYS A 31 0.771 -7.085 -7.586 1.00 0.38 H new ATOM 0 HB3 LYS A 31 -0.394 -7.768 -6.469 1.00 0.38 H new ATOM 0 HG2 LYS A 31 -1.272 -5.285 -6.268 1.00 0.60 H new ATOM 0 HG3 LYS A 31 -0.399 -5.037 -7.767 1.00 0.60 H new ATOM 0 HD2 LYS A 31 -2.863 -5.641 -8.003 1.00 0.82 H new ATOM 0 HD3 LYS A 31 -1.747 -6.600 -8.955 1.00 0.82 H new ATOM 0 HE2 LYS A 31 -2.473 -7.602 -6.218 1.00 1.34 H new ATOM 0 HE3 LYS A 31 -3.685 -7.715 -7.479 1.00 1.34 H new ATOM 0 HZ1 LYS A 31 -2.637 -9.448 -8.348 1.00 1.98 H new ATOM 0 HZ2 LYS A 31 -1.176 -8.592 -8.475 1.00 1.98 H new ATOM 0 HZ3 LYS A 31 -1.552 -9.423 -7.043 1.00 1.98 H new ATOM 464 N PHE A 32 0.465 -4.335 -4.494 1.00 0.31 N ATOM 465 CA PHE A 32 -0.270 -3.479 -3.578 1.00 0.35 C ATOM 466 C PHE A 32 -0.965 -2.365 -4.353 1.00 0.32 C ATOM 467 O PHE A 32 -0.318 -1.534 -4.987 1.00 0.32 O ATOM 468 CB PHE A 32 0.682 -2.887 -2.537 1.00 0.44 C ATOM 469 CG PHE A 32 0.026 -2.555 -1.229 1.00 0.90 C ATOM 470 CD1 PHE A 32 -1.298 -2.143 -1.188 1.00 1.64 C ATOM 471 CD2 PHE A 32 0.728 -2.654 -0.039 1.00 1.21 C ATOM 472 CE1 PHE A 32 -1.906 -1.838 0.014 1.00 2.28 C ATOM 473 CE2 PHE A 32 0.125 -2.350 1.166 1.00 1.91 C ATOM 474 CZ PHE A 32 -1.189 -1.942 1.195 1.00 2.35 C ATOM 0 H PHE A 32 1.135 -3.850 -5.090 1.00 0.31 H new ATOM 0 HA PHE A 32 -1.025 -4.073 -3.063 1.00 0.35 H new ATOM 0 HB2 PHE A 32 1.492 -3.594 -2.356 1.00 0.44 H new ATOM 0 HB3 PHE A 32 1.133 -1.983 -2.945 1.00 0.44 H new ATOM 0 HD1 PHE A 32 -1.860 -2.060 -2.107 1.00 1.64 H new ATOM 0 HD2 PHE A 32 1.760 -2.973 -0.053 1.00 1.21 H new ATOM 0 HE1 PHE A 32 -2.938 -1.519 0.033 1.00 2.28 H new ATOM 0 HE2 PHE A 32 0.685 -2.433 2.086 1.00 1.91 H new ATOM 0 HZ PHE A 32 -1.661 -1.703 2.137 1.00 2.35 H new ATOM 484 N ARG A 33 -2.291 -2.381 -4.322 1.00 0.36 N ATOM 485 CA ARG A 33 -3.081 -1.395 -5.049 1.00 0.39 C ATOM 486 C ARG A 33 -3.867 -0.492 -4.105 1.00 0.40 C ATOM 487 O ARG A 33 -4.551 -0.963 -3.196 1.00 0.43 O ATOM 488 CB ARG A 33 -4.027 -2.102 -6.022 1.00 0.47 C ATOM 489 CG ARG A 33 -3.383 -3.265 -6.755 1.00 0.80 C ATOM 490 CD ARG A 33 -2.380 -2.784 -7.791 1.00 0.53 C ATOM 491 NE ARG A 33 -3.036 -2.309 -9.007 1.00 1.09 N ATOM 492 CZ ARG A 33 -2.404 -2.131 -10.163 1.00 1.56 C ATOM 493 NH1 ARG A 33 -1.107 -2.384 -10.259 1.00 2.10 N ATOM 494 NH2 ARG A 33 -3.071 -1.697 -11.224 1.00 2.12 N ATOM 0 H ARG A 33 -2.842 -3.064 -3.802 1.00 0.36 H new ATOM 0 HA ARG A 33 -2.394 -0.761 -5.609 1.00 0.39 H new ATOM 0 HB2 ARG A 33 -4.896 -2.465 -5.473 1.00 0.47 H new ATOM 0 HB3 ARG A 33 -4.391 -1.379 -6.752 1.00 0.47 H new ATOM 0 HG2 ARG A 33 -2.883 -3.916 -6.038 1.00 0.80 H new ATOM 0 HG3 ARG A 33 -4.154 -3.861 -7.243 1.00 0.80 H new ATOM 0 HD2 ARG A 33 -1.777 -1.981 -7.367 1.00 0.53 H new ATOM 0 HD3 ARG A 33 -1.698 -3.597 -8.041 1.00 0.53 H new ATOM 0 HE ARG A 33 -4.034 -2.103 -8.967 1.00 1.09 H new ATOM 0 HH11 ARG A 33 -0.591 -2.716 -9.445 1.00 2.10 H new ATOM 0 HH12 ARG A 33 -0.625 -2.246 -11.147 1.00 2.10 H new ATOM 0 HH21 ARG A 33 -4.069 -1.500 -11.153 1.00 2.12 H new ATOM 0 HH22 ARG A 33 -2.586 -1.561 -12.111 1.00 2.12 H new ATOM 508 N CYS A 34 -3.760 0.813 -4.335 1.00 0.39 N ATOM 509 CA CYS A 34 -4.452 1.807 -3.522 1.00 0.41 C ATOM 510 C CYS A 34 -4.723 3.064 -4.348 1.00 0.41 C ATOM 511 O CYS A 34 -4.165 4.128 -4.079 1.00 0.47 O ATOM 512 CB CYS A 34 -3.613 2.157 -2.289 1.00 0.44 C ATOM 513 SG CYS A 34 -4.564 2.271 -0.737 1.00 0.94 S ATOM 0 H CYS A 34 -3.195 1.209 -5.086 1.00 0.39 H new ATOM 0 HA CYS A 34 -5.404 1.391 -3.192 1.00 0.41 H new ATOM 0 HB2 CYS A 34 -2.834 1.404 -2.169 1.00 0.44 H new ATOM 0 HB3 CYS A 34 -3.112 3.109 -2.464 1.00 0.44 H new ATOM 518 N PRO A 35 -5.577 2.951 -5.382 1.00 0.41 N ATOM 519 CA PRO A 35 -5.911 4.078 -6.261 1.00 0.44 C ATOM 520 C PRO A 35 -6.635 5.204 -5.531 1.00 0.34 C ATOM 521 O PRO A 35 -7.721 5.009 -4.983 1.00 0.34 O ATOM 522 CB PRO A 35 -6.825 3.455 -7.322 1.00 0.57 C ATOM 523 CG PRO A 35 -7.354 2.210 -6.698 1.00 0.54 C ATOM 524 CD PRO A 35 -6.274 1.715 -5.778 1.00 0.44 C ATOM 0 HA PRO A 35 -5.014 4.542 -6.671 1.00 0.44 H new ATOM 0 HB2 PRO A 35 -7.633 4.134 -7.593 1.00 0.57 H new ATOM 0 HB3 PRO A 35 -6.274 3.234 -8.236 1.00 0.57 H new ATOM 0 HG2 PRO A 35 -8.274 2.410 -6.148 1.00 0.54 H new ATOM 0 HG3 PRO A 35 -7.592 1.464 -7.457 1.00 0.54 H new ATOM 0 HD2 PRO A 35 -6.688 1.192 -4.916 1.00 0.44 H new ATOM 0 HD3 PRO A 35 -5.604 1.018 -6.282 1.00 0.44 H new ATOM 532 N ALA A 36 -6.026 6.386 -5.534 1.00 0.35 N ATOM 533 CA ALA A 36 -6.609 7.552 -4.879 1.00 0.33 C ATOM 534 C ALA A 36 -6.105 8.845 -5.511 1.00 0.32 C ATOM 535 O ALA A 36 -4.923 9.175 -5.415 1.00 0.38 O ATOM 536 CB ALA A 36 -6.297 7.533 -3.390 1.00 0.40 C ATOM 0 H ALA A 36 -5.127 6.562 -5.984 1.00 0.35 H new ATOM 0 HA ALA A 36 -7.690 7.510 -5.012 1.00 0.33 H new ATOM 0 HB1 ALA A 36 -6.738 8.409 -2.915 1.00 0.40 H new ATOM 0 HB2 ALA A 36 -6.712 6.630 -2.943 1.00 0.40 H new ATOM 0 HB3 ALA A 36 -5.217 7.547 -3.244 1.00 0.40 H new ATOM 542 N GLY A 37 -7.010 9.573 -6.156 1.00 0.33 N ATOM 543 CA GLY A 37 -6.638 10.823 -6.794 1.00 0.36 C ATOM 544 C GLY A 37 -6.746 12.008 -5.856 1.00 0.35 C ATOM 545 O GLY A 37 -7.734 12.150 -5.136 1.00 0.37 O ATOM 0 H GLY A 37 -7.994 9.320 -6.249 1.00 0.33 H new ATOM 0 HA2 GLY A 37 -5.615 10.748 -7.163 1.00 0.36 H new ATOM 0 HA3 GLY A 37 -7.278 10.990 -7.660 1.00 0.36 H new ATOM 549 N GLY A 38 -5.728 12.862 -5.865 1.00 0.36 N ATOM 550 CA GLY A 38 -5.733 14.028 -5.002 1.00 0.39 C ATOM 551 C GLY A 38 -4.582 14.968 -5.291 1.00 0.37 C ATOM 552 O GLY A 38 -4.315 15.302 -6.445 1.00 0.42 O ATOM 0 H GLY A 38 -4.901 12.767 -6.454 1.00 0.36 H new ATOM 0 HA2 GLY A 38 -6.675 14.563 -5.125 1.00 0.39 H new ATOM 0 HA3 GLY A 38 -5.683 13.706 -3.962 1.00 0.39 H new ATOM 556 N ASN A 39 -3.900 15.402 -4.235 1.00 0.40 N ATOM 557 CA ASN A 39 -2.773 16.319 -4.377 1.00 0.47 C ATOM 558 C ASN A 39 -1.570 15.634 -5.028 1.00 0.36 C ATOM 559 O ASN A 39 -1.495 14.406 -5.082 1.00 0.34 O ATOM 560 CB ASN A 39 -2.382 16.876 -2.998 1.00 0.70 C ATOM 561 CG ASN A 39 -1.441 15.963 -2.216 1.00 2.04 C ATOM 562 OD1 ASN A 39 -0.288 16.309 -1.976 1.00 2.41 O ATOM 563 ND2 ASN A 39 -1.935 14.798 -1.811 1.00 2.89 N ATOM 0 H ASN A 39 -4.107 15.134 -3.273 1.00 0.40 H new ATOM 0 HA ASN A 39 -3.081 17.137 -5.028 1.00 0.47 H new ATOM 0 HB2 ASN A 39 -1.906 17.848 -3.129 1.00 0.70 H new ATOM 0 HB3 ASN A 39 -3.286 17.040 -2.412 1.00 0.70 H new ATOM 0 HD21 ASN A 39 -1.350 14.153 -1.279 1.00 2.89 H new ATOM 0 HD22 ASN A 39 -2.899 14.549 -2.032 1.00 2.89 H new ATOM 570 N PRO A 40 -0.592 16.429 -5.500 1.00 0.39 N ATOM 571 CA PRO A 40 0.622 15.898 -6.108 1.00 0.39 C ATOM 572 C PRO A 40 1.655 15.494 -5.051 1.00 0.34 C ATOM 573 O PRO A 40 2.694 14.918 -5.372 1.00 0.40 O ATOM 574 CB PRO A 40 1.128 17.073 -6.937 1.00 0.51 C ATOM 575 CG PRO A 40 0.682 18.287 -6.190 1.00 0.52 C ATOM 576 CD PRO A 40 -0.579 17.905 -5.449 1.00 0.53 C ATOM 0 HA PRO A 40 0.442 14.995 -6.692 1.00 0.39 H new ATOM 0 HB2 PRO A 40 2.213 17.047 -7.038 1.00 0.51 H new ATOM 0 HB3 PRO A 40 0.713 17.054 -7.945 1.00 0.51 H new ATOM 0 HG2 PRO A 40 1.453 18.618 -5.495 1.00 0.52 H new ATOM 0 HG3 PRO A 40 0.493 19.114 -6.874 1.00 0.52 H new ATOM 0 HD2 PRO A 40 -0.563 18.268 -4.422 1.00 0.53 H new ATOM 0 HD3 PRO A 40 -1.464 18.328 -5.924 1.00 0.53 H new ATOM 584 N MET A 41 1.355 15.803 -3.786 1.00 0.31 N ATOM 585 CA MET A 41 2.238 15.480 -2.670 1.00 0.33 C ATOM 586 C MET A 41 1.599 14.439 -1.746 1.00 0.32 C ATOM 587 O MET A 41 1.149 14.773 -0.651 1.00 0.36 O ATOM 588 CB MET A 41 2.525 16.749 -1.860 1.00 0.39 C ATOM 589 CG MET A 41 3.797 16.677 -1.031 1.00 0.47 C ATOM 590 SD MET A 41 5.166 17.583 -1.777 1.00 1.30 S ATOM 591 CE MET A 41 5.780 18.491 -0.361 1.00 1.83 C ATOM 0 H MET A 41 0.497 16.282 -3.511 1.00 0.31 H new ATOM 0 HA MET A 41 3.163 15.071 -3.076 1.00 0.33 H new ATOM 0 HB2 MET A 41 2.596 17.596 -2.543 1.00 0.39 H new ATOM 0 HB3 MET A 41 1.682 16.944 -1.197 1.00 0.39 H new ATOM 0 HG2 MET A 41 3.601 17.077 -0.036 1.00 0.47 H new ATOM 0 HG3 MET A 41 4.084 15.633 -0.903 1.00 0.47 H new ATOM 0 HE1 MET A 41 6.848 18.672 -0.480 1.00 1.83 H new ATOM 0 HE2 MET A 41 5.257 19.444 -0.285 1.00 1.83 H new ATOM 0 HE3 MET A 41 5.609 17.910 0.546 1.00 1.83 H new ATOM 601 N PRO A 42 1.540 13.165 -2.170 1.00 0.32 N ATOM 602 CA PRO A 42 0.948 12.094 -1.372 1.00 0.34 C ATOM 603 C PRO A 42 1.963 11.403 -0.466 1.00 0.35 C ATOM 604 O PRO A 42 3.047 11.024 -0.911 1.00 0.43 O ATOM 605 CB PRO A 42 0.476 11.132 -2.453 1.00 0.40 C ATOM 606 CG PRO A 42 1.539 11.224 -3.495 1.00 0.42 C ATOM 607 CD PRO A 42 2.030 12.655 -3.468 1.00 0.36 C ATOM 0 HA PRO A 42 0.172 12.453 -0.696 1.00 0.34 H new ATOM 0 HB2 PRO A 42 0.377 10.116 -2.070 1.00 0.40 H new ATOM 0 HB3 PRO A 42 -0.498 11.420 -2.848 1.00 0.40 H new ATOM 0 HG2 PRO A 42 2.352 10.529 -3.285 1.00 0.42 H new ATOM 0 HG3 PRO A 42 1.145 10.966 -4.478 1.00 0.42 H new ATOM 0 HD2 PRO A 42 3.117 12.708 -3.535 1.00 0.36 H new ATOM 0 HD3 PRO A 42 1.631 13.232 -4.302 1.00 0.36 H new ATOM 615 N THR A 43 1.602 11.223 0.801 1.00 0.32 N ATOM 616 CA THR A 43 2.478 10.555 1.757 1.00 0.35 C ATOM 617 C THR A 43 1.759 9.375 2.393 1.00 0.37 C ATOM 618 O THR A 43 0.914 9.554 3.265 1.00 0.48 O ATOM 619 CB THR A 43 2.947 11.515 2.866 1.00 0.41 C ATOM 620 OG1 THR A 43 1.979 12.553 3.060 1.00 0.94 O ATOM 621 CG2 THR A 43 4.294 12.132 2.517 1.00 1.00 C ATOM 0 H THR A 43 0.710 11.530 1.189 1.00 0.32 H new ATOM 0 HA THR A 43 3.353 10.207 1.208 1.00 0.35 H new ATOM 0 HB THR A 43 3.055 10.942 3.787 1.00 0.41 H new ATOM 0 HG1 THR A 43 1.117 12.155 3.303 1.00 0.94 H new ATOM 0 HG21 THR A 43 4.603 12.806 3.316 1.00 1.00 H new ATOM 0 HG22 THR A 43 5.037 11.343 2.400 1.00 1.00 H new ATOM 0 HG23 THR A 43 4.208 12.690 1.585 1.00 1.00 H new ATOM 629 N MET A 44 2.087 8.169 1.945 1.00 0.35 N ATOM 630 CA MET A 44 1.449 6.963 2.466 1.00 0.41 C ATOM 631 C MET A 44 2.429 6.100 3.252 1.00 0.38 C ATOM 632 O MET A 44 3.632 6.101 2.989 1.00 0.40 O ATOM 633 CB MET A 44 0.830 6.138 1.330 1.00 0.49 C ATOM 634 CG MET A 44 1.471 6.372 -0.028 1.00 0.86 C ATOM 635 SD MET A 44 0.882 7.882 -0.819 1.00 1.82 S ATOM 636 CE MET A 44 1.466 7.639 -2.495 1.00 2.30 C ATOM 0 H MET A 44 2.789 7.999 1.224 1.00 0.35 H new ATOM 0 HA MET A 44 0.660 7.287 3.144 1.00 0.41 H new ATOM 0 HB2 MET A 44 0.909 5.080 1.579 1.00 0.49 H new ATOM 0 HB3 MET A 44 -0.233 6.372 1.263 1.00 0.49 H new ATOM 0 HG2 MET A 44 2.553 6.426 0.089 1.00 0.86 H new ATOM 0 HG3 MET A 44 1.262 5.521 -0.676 1.00 0.86 H new ATOM 0 HE1 MET A 44 2.250 8.363 -2.716 1.00 2.30 H new ATOM 0 HE2 MET A 44 1.864 6.630 -2.599 1.00 2.30 H new ATOM 0 HE3 MET A 44 0.639 7.776 -3.192 1.00 2.30 H new ATOM 646 N ARG A 45 1.892 5.349 4.210 1.00 0.36 N ATOM 647 CA ARG A 45 2.698 4.457 5.034 1.00 0.34 C ATOM 648 C ARG A 45 2.314 3.006 4.761 1.00 0.32 C ATOM 649 O ARG A 45 1.151 2.702 4.478 1.00 0.34 O ATOM 650 CB ARG A 45 2.543 4.770 6.531 1.00 0.37 C ATOM 651 CG ARG A 45 1.904 6.122 6.832 1.00 0.66 C ATOM 652 CD ARG A 45 2.521 6.765 8.063 1.00 0.88 C ATOM 653 NE ARG A 45 3.927 7.103 7.858 1.00 1.57 N ATOM 654 CZ ARG A 45 4.610 7.926 8.647 1.00 2.04 C ATOM 655 NH1 ARG A 45 4.018 8.488 9.693 1.00 2.22 N ATOM 656 NH2 ARG A 45 5.885 8.187 8.394 1.00 2.89 N ATOM 0 H ARG A 45 0.897 5.342 4.434 1.00 0.36 H new ATOM 0 HA ARG A 45 3.744 4.613 4.769 1.00 0.34 H new ATOM 0 HB2 ARG A 45 1.941 3.987 6.992 1.00 0.37 H new ATOM 0 HB3 ARG A 45 3.526 4.735 7.000 1.00 0.37 H new ATOM 0 HG2 ARG A 45 2.027 6.783 5.974 1.00 0.66 H new ATOM 0 HG3 ARG A 45 0.832 5.994 6.985 1.00 0.66 H new ATOM 0 HD2 ARG A 45 1.965 7.667 8.318 1.00 0.88 H new ATOM 0 HD3 ARG A 45 2.431 6.085 8.910 1.00 0.88 H new ATOM 0 HE ARG A 45 4.412 6.684 7.065 1.00 1.57 H new ATOM 0 HH11 ARG A 45 3.038 8.289 9.892 1.00 2.22 H new ATOM 0 HH12 ARG A 45 4.543 9.119 10.298 1.00 2.22 H new ATOM 0 HH21 ARG A 45 6.344 7.756 7.592 1.00 2.89 H new ATOM 0 HH22 ARG A 45 6.406 8.819 9.001 1.00 2.89 H new ATOM 670 N TRP A 46 3.301 2.117 4.841 1.00 0.31 N ATOM 671 CA TRP A 46 3.073 0.699 4.597 1.00 0.31 C ATOM 672 C TRP A 46 2.990 -0.076 5.905 1.00 0.26 C ATOM 673 O TRP A 46 3.938 -0.091 6.694 1.00 0.29 O ATOM 674 CB TRP A 46 4.187 0.128 3.718 1.00 0.39 C ATOM 675 CG TRP A 46 4.565 1.035 2.587 1.00 0.70 C ATOM 676 CD1 TRP A 46 5.827 1.408 2.220 1.00 1.52 C ATOM 677 CD2 TRP A 46 3.673 1.684 1.676 1.00 1.34 C ATOM 678 NE1 TRP A 46 5.772 2.249 1.136 1.00 1.62 N ATOM 679 CE2 TRP A 46 4.461 2.434 0.783 1.00 1.46 C ATOM 680 CE3 TRP A 46 2.283 1.703 1.528 1.00 2.43 C ATOM 681 CZ2 TRP A 46 3.905 3.195 -0.242 1.00 2.14 C ATOM 682 CZ3 TRP A 46 1.733 2.459 0.510 1.00 3.28 C ATOM 683 CH2 TRP A 46 2.542 3.196 -0.363 1.00 3.02 C ATOM 0 H TRP A 46 4.265 2.355 5.073 1.00 0.31 H new ATOM 0 HA TRP A 46 2.120 0.594 4.078 1.00 0.31 H new ATOM 0 HB2 TRP A 46 5.066 -0.062 4.333 1.00 0.39 H new ATOM 0 HB3 TRP A 46 3.867 -0.833 3.314 1.00 0.39 H new ATOM 0 HD1 TRP A 46 6.735 1.088 2.710 1.00 1.52 H new ATOM 0 HE1 TRP A 46 6.576 2.668 0.669 1.00 1.62 H new ATOM 0 HE3 TRP A 46 1.651 1.138 2.197 1.00 2.43 H new ATOM 0 HZ2 TRP A 46 4.527 3.764 -0.917 1.00 2.14 H new ATOM 0 HZ3 TRP A 46 0.660 2.482 0.386 1.00 3.28 H new ATOM 0 HH2 TRP A 46 2.081 3.777 -1.148 1.00 3.02 H new ATOM 694 N LEU A 47 1.849 -0.722 6.124 1.00 0.25 N ATOM 695 CA LEU A 47 1.631 -1.503 7.334 1.00 0.26 C ATOM 696 C LEU A 47 1.206 -2.929 6.994 1.00 0.24 C ATOM 697 O LEU A 47 0.227 -3.141 6.278 1.00 0.31 O ATOM 698 CB LEU A 47 0.567 -0.836 8.209 1.00 0.37 C ATOM 699 CG LEU A 47 1.047 -0.412 9.599 1.00 0.80 C ATOM 700 CD1 LEU A 47 1.406 1.066 9.612 1.00 1.58 C ATOM 701 CD2 LEU A 47 -0.017 -0.717 10.641 1.00 1.53 C ATOM 0 H LEU A 47 1.060 -0.719 5.477 1.00 0.25 H new ATOM 0 HA LEU A 47 2.571 -1.546 7.884 1.00 0.26 H new ATOM 0 HB2 LEU A 47 0.188 0.043 7.688 1.00 0.37 H new ATOM 0 HB3 LEU A 47 -0.271 -1.524 8.324 1.00 0.37 H new ATOM 0 HG LEU A 47 1.943 -0.981 9.846 1.00 0.80 H new ATOM 0 HD11 LEU A 47 1.745 1.349 10.608 1.00 1.58 H new ATOM 0 HD12 LEU A 47 2.202 1.254 8.891 1.00 1.58 H new ATOM 0 HD13 LEU A 47 0.529 1.656 9.346 1.00 1.58 H new ATOM 0 HD21 LEU A 47 0.338 -0.410 11.625 1.00 1.53 H new ATOM 0 HD22 LEU A 47 -0.930 -0.173 10.399 1.00 1.53 H new ATOM 0 HD23 LEU A 47 -0.224 -1.787 10.648 1.00 1.53 H new ATOM 713 N LYS A 48 1.949 -3.904 7.508 1.00 0.22 N ATOM 714 CA LYS A 48 1.647 -5.311 7.253 1.00 0.25 C ATOM 715 C LYS A 48 1.506 -6.090 8.558 1.00 0.26 C ATOM 716 O LYS A 48 2.467 -6.242 9.310 1.00 0.31 O ATOM 717 CB LYS A 48 2.729 -5.956 6.373 1.00 0.34 C ATOM 718 CG LYS A 48 4.045 -5.191 6.327 1.00 0.41 C ATOM 719 CD LYS A 48 5.164 -6.040 5.746 1.00 0.88 C ATOM 720 CE LYS A 48 4.775 -6.630 4.399 1.00 0.73 C ATOM 721 NZ LYS A 48 4.048 -7.922 4.548 1.00 1.37 N ATOM 0 H LYS A 48 2.763 -3.748 8.102 1.00 0.22 H new ATOM 0 HA LYS A 48 0.696 -5.349 6.722 1.00 0.25 H new ATOM 0 HB2 LYS A 48 2.922 -6.965 6.738 1.00 0.34 H new ATOM 0 HB3 LYS A 48 2.344 -6.053 5.358 1.00 0.34 H new ATOM 0 HG2 LYS A 48 3.922 -4.289 5.727 1.00 0.41 H new ATOM 0 HG3 LYS A 48 4.316 -4.870 7.333 1.00 0.41 H new ATOM 0 HD2 LYS A 48 6.062 -5.432 5.632 1.00 0.88 H new ATOM 0 HD3 LYS A 48 5.409 -6.844 6.439 1.00 0.88 H new ATOM 0 HE2 LYS A 48 4.148 -5.921 3.859 1.00 0.73 H new ATOM 0 HE3 LYS A 48 5.671 -6.785 3.798 1.00 0.73 H new ATOM 0 HZ1 LYS A 48 4.460 -8.628 3.905 1.00 1.37 H new ATOM 0 HZ2 LYS A 48 4.132 -8.256 5.529 1.00 1.37 H new ATOM 0 HZ3 LYS A 48 3.044 -7.784 4.314 1.00 1.37 H new ATOM 735 N ASN A 49 0.299 -6.586 8.813 1.00 0.28 N ATOM 736 CA ASN A 49 0.019 -7.359 10.020 1.00 0.35 C ATOM 737 C ASN A 49 0.572 -6.671 11.266 1.00 0.39 C ATOM 738 O ASN A 49 1.086 -7.327 12.172 1.00 0.50 O ATOM 739 CB ASN A 49 0.608 -8.764 9.900 1.00 0.38 C ATOM 740 CG ASN A 49 -0.233 -9.805 10.613 1.00 0.75 C ATOM 741 OD1 ASN A 49 -0.383 -9.770 11.834 1.00 1.53 O ATOM 742 ND2 ASN A 49 -0.787 -10.741 9.849 1.00 1.32 N ATOM 0 H ASN A 49 -0.505 -6.466 8.197 1.00 0.28 H new ATOM 0 HA ASN A 49 -1.064 -7.429 10.123 1.00 0.35 H new ATOM 0 HB2 ASN A 49 0.695 -9.030 8.847 1.00 0.38 H new ATOM 0 HB3 ASN A 49 1.616 -8.769 10.314 1.00 0.38 H new ATOM 0 HD21 ASN A 49 -1.363 -11.469 10.271 1.00 1.32 H new ATOM 0 HD22 ASN A 49 -0.636 -10.731 8.840 1.00 1.32 H new ATOM 749 N GLY A 50 0.463 -5.348 11.306 1.00 0.38 N ATOM 750 CA GLY A 50 0.956 -4.601 12.448 1.00 0.45 C ATOM 751 C GLY A 50 2.431 -4.262 12.338 1.00 0.48 C ATOM 752 O GLY A 50 3.035 -3.781 13.297 1.00 0.68 O ATOM 0 H GLY A 50 0.043 -4.780 10.570 1.00 0.38 H new ATOM 0 HA2 GLY A 50 0.383 -3.679 12.548 1.00 0.45 H new ATOM 0 HA3 GLY A 50 0.788 -5.181 13.355 1.00 0.45 H new ATOM 756 N LYS A 51 3.013 -4.506 11.168 1.00 0.36 N ATOM 757 CA LYS A 51 4.423 -4.217 10.941 1.00 0.39 C ATOM 758 C LYS A 51 4.579 -3.074 9.948 1.00 0.38 C ATOM 759 O LYS A 51 3.753 -2.904 9.054 1.00 0.39 O ATOM 760 CB LYS A 51 5.144 -5.464 10.420 1.00 0.42 C ATOM 761 CG LYS A 51 6.579 -5.206 9.991 1.00 0.53 C ATOM 762 CD LYS A 51 6.662 -4.824 8.520 1.00 0.75 C ATOM 763 CE LYS A 51 8.088 -4.903 7.998 1.00 0.82 C ATOM 764 NZ LYS A 51 9.084 -4.496 9.028 1.00 1.36 N ATOM 0 H LYS A 51 2.529 -4.903 10.363 1.00 0.36 H new ATOM 0 HA LYS A 51 4.870 -3.920 11.890 1.00 0.39 H new ATOM 0 HB2 LYS A 51 5.138 -6.228 11.198 1.00 0.42 H new ATOM 0 HB3 LYS A 51 4.588 -5.867 9.574 1.00 0.42 H new ATOM 0 HG2 LYS A 51 7.004 -4.408 10.600 1.00 0.53 H new ATOM 0 HG3 LYS A 51 7.179 -6.098 10.171 1.00 0.53 H new ATOM 0 HD2 LYS A 51 6.023 -5.486 7.935 1.00 0.75 H new ATOM 0 HD3 LYS A 51 6.280 -3.812 8.385 1.00 0.75 H new ATOM 0 HE2 LYS A 51 8.299 -5.922 7.673 1.00 0.82 H new ATOM 0 HE3 LYS A 51 8.189 -4.262 7.123 1.00 0.82 H new ATOM 0 HZ1 LYS A 51 10.027 -4.434 8.594 1.00 1.36 H new ATOM 0 HZ2 LYS A 51 8.821 -3.569 9.418 1.00 1.36 H new ATOM 0 HZ3 LYS A 51 9.101 -5.201 9.792 1.00 1.36 H new ATOM 778 N GLU A 52 5.645 -2.299 10.099 1.00 0.38 N ATOM 779 CA GLU A 52 5.905 -1.181 9.200 1.00 0.39 C ATOM 780 C GLU A 52 7.090 -1.485 8.295 1.00 0.43 C ATOM 781 O GLU A 52 8.037 -2.160 8.703 1.00 0.49 O ATOM 782 CB GLU A 52 6.167 0.102 9.997 1.00 0.44 C ATOM 783 CG GLU A 52 7.482 0.084 10.759 1.00 1.03 C ATOM 784 CD GLU A 52 7.858 1.448 11.306 1.00 1.38 C ATOM 785 OE1 GLU A 52 7.424 2.463 10.723 1.00 1.71 O ATOM 786 OE2 GLU A 52 8.589 1.500 12.316 1.00 1.90 O ATOM 0 H GLU A 52 6.342 -2.423 10.833 1.00 0.38 H new ATOM 0 HA GLU A 52 5.021 -1.032 8.579 1.00 0.39 H new ATOM 0 HB2 GLU A 52 6.163 0.952 9.314 1.00 0.44 H new ATOM 0 HB3 GLU A 52 5.350 0.256 10.702 1.00 0.44 H new ATOM 0 HG2 GLU A 52 7.411 -0.627 11.582 1.00 1.03 H new ATOM 0 HG3 GLU A 52 8.275 -0.270 10.100 1.00 1.03 H new ATOM 793 N PHE A 53 7.039 -0.985 7.066 1.00 0.43 N ATOM 794 CA PHE A 53 8.119 -1.209 6.112 1.00 0.50 C ATOM 795 C PHE A 53 8.510 0.091 5.416 1.00 0.56 C ATOM 796 O PHE A 53 7.702 0.698 4.712 1.00 0.70 O ATOM 797 CB PHE A 53 7.708 -2.257 5.075 1.00 0.57 C ATOM 798 CG PHE A 53 8.770 -3.286 4.798 1.00 1.46 C ATOM 799 CD1 PHE A 53 10.113 -2.965 4.931 1.00 1.99 C ATOM 800 CD2 PHE A 53 8.429 -4.572 4.409 1.00 2.42 C ATOM 801 CE1 PHE A 53 11.092 -3.909 4.680 1.00 3.14 C ATOM 802 CE2 PHE A 53 9.404 -5.518 4.157 1.00 3.55 C ATOM 803 CZ PHE A 53 10.734 -5.190 4.285 1.00 3.85 C ATOM 0 H PHE A 53 6.266 -0.425 6.708 1.00 0.43 H new ATOM 0 HA PHE A 53 8.984 -1.578 6.663 1.00 0.50 H new ATOM 0 HB2 PHE A 53 6.807 -2.763 5.421 1.00 0.57 H new ATOM 0 HB3 PHE A 53 7.453 -1.752 4.143 1.00 0.57 H new ATOM 0 HD1 PHE A 53 10.397 -1.968 5.234 1.00 1.99 H new ATOM 0 HD2 PHE A 53 7.388 -4.838 4.302 1.00 2.42 H new ATOM 0 HE1 PHE A 53 12.134 -3.649 4.791 1.00 3.14 H new ATOM 0 HE2 PHE A 53 9.122 -6.517 3.859 1.00 3.55 H new ATOM 0 HZ PHE A 53 11.496 -5.927 4.079 1.00 3.85 H new ATOM 813 N LYS A 54 9.755 0.513 5.617 1.00 0.64 N ATOM 814 CA LYS A 54 10.255 1.741 5.008 1.00 0.77 C ATOM 815 C LYS A 54 10.442 1.565 3.505 1.00 1.29 C ATOM 816 O LYS A 54 10.964 0.547 3.049 1.00 1.12 O ATOM 817 CB LYS A 54 11.584 2.147 5.653 1.00 0.86 C ATOM 818 CG LYS A 54 11.535 3.495 6.355 1.00 1.43 C ATOM 819 CD LYS A 54 11.150 3.347 7.818 1.00 1.82 C ATOM 820 CE LYS A 54 12.362 3.474 8.727 1.00 2.44 C ATOM 821 NZ LYS A 54 12.252 2.601 9.929 1.00 3.19 N ATOM 0 H LYS A 54 10.436 0.023 6.197 1.00 0.64 H new ATOM 0 HA LYS A 54 9.519 2.528 5.175 1.00 0.77 H new ATOM 0 HB2 LYS A 54 11.877 1.383 6.373 1.00 0.86 H new ATOM 0 HB3 LYS A 54 12.357 2.175 4.885 1.00 0.86 H new ATOM 0 HG2 LYS A 54 12.508 3.981 6.281 1.00 1.43 H new ATOM 0 HG3 LYS A 54 10.817 4.142 5.852 1.00 1.43 H new ATOM 0 HD2 LYS A 54 10.415 4.108 8.081 1.00 1.82 H new ATOM 0 HD3 LYS A 54 10.676 2.378 7.975 1.00 1.82 H new ATOM 0 HE2 LYS A 54 13.262 3.212 8.170 1.00 2.44 H new ATOM 0 HE3 LYS A 54 12.472 4.512 9.042 1.00 2.44 H new ATOM 0 HZ1 LYS A 54 13.099 2.718 10.522 1.00 3.19 H new ATOM 0 HZ2 LYS A 54 11.408 2.867 10.475 1.00 3.19 H new ATOM 0 HZ3 LYS A 54 12.173 1.608 9.631 1.00 3.19 H new ATOM 885 N ARG A 58 13.205 -2.867 1.448 1.00 1.00 N ATOM 886 CA ARG A 58 12.247 -3.888 1.041 1.00 0.92 C ATOM 887 C ARG A 58 12.959 -5.199 0.732 1.00 0.69 C ATOM 888 O ARG A 58 14.105 -5.203 0.279 1.00 0.78 O ATOM 889 CB ARG A 58 11.448 -3.418 -0.173 1.00 1.23 C ATOM 890 CG ARG A 58 10.220 -2.600 0.194 1.00 1.36 C ATOM 891 CD ARG A 58 8.987 -3.072 -0.558 1.00 1.75 C ATOM 892 NE ARG A 58 8.040 -1.987 -0.795 1.00 2.44 N ATOM 893 CZ ARG A 58 7.141 -1.579 0.098 1.00 3.22 C ATOM 894 NH1 ARG A 58 7.068 -2.165 1.286 1.00 3.53 N ATOM 895 NH2 ARG A 58 6.314 -0.586 -0.195 1.00 3.98 N ATOM 0 HA ARG A 58 11.556 -4.057 1.867 1.00 0.92 H new ATOM 0 HB2 ARG A 58 12.095 -2.821 -0.816 1.00 1.23 H new ATOM 0 HB3 ARG A 58 11.137 -4.287 -0.753 1.00 1.23 H new ATOM 0 HG2 ARG A 58 10.042 -2.672 1.267 1.00 1.36 H new ATOM 0 HG3 ARG A 58 10.403 -1.549 -0.029 1.00 1.36 H new ATOM 0 HD2 ARG A 58 9.288 -3.505 -1.512 1.00 1.75 H new ATOM 0 HD3 ARG A 58 8.497 -3.863 0.010 1.00 1.75 H new ATOM 0 HE ARG A 58 8.069 -1.514 -1.698 1.00 2.44 H new ATOM 0 HH11 ARG A 58 7.702 -2.930 1.517 1.00 3.53 H new ATOM 0 HH12 ARG A 58 6.378 -1.850 1.968 1.00 3.53 H new ATOM 0 HH21 ARG A 58 6.365 -0.132 -1.107 1.00 3.98 H new ATOM 0 HH22 ARG A 58 5.626 -0.276 0.491 1.00 3.98 H new ATOM 909 N ILE A 59 12.275 -6.310 0.971 1.00 0.67 N ATOM 910 CA ILE A 59 12.848 -7.624 0.720 1.00 0.66 C ATOM 911 C ILE A 59 12.998 -7.887 -0.773 1.00 0.59 C ATOM 912 O ILE A 59 12.064 -8.343 -1.432 1.00 0.57 O ATOM 913 CB ILE A 59 11.997 -8.745 1.347 1.00 0.95 C ATOM 914 CG1 ILE A 59 11.658 -8.404 2.799 1.00 1.05 C ATOM 915 CG2 ILE A 59 12.731 -10.073 1.268 1.00 1.16 C ATOM 916 CD1 ILE A 59 12.862 -7.995 3.620 1.00 1.64 C ATOM 0 H ILE A 59 11.323 -6.327 1.338 1.00 0.67 H new ATOM 0 HA ILE A 59 13.833 -7.627 1.186 1.00 0.66 H new ATOM 0 HB ILE A 59 11.066 -8.832 0.786 1.00 0.95 H new ATOM 0 HG12 ILE A 59 10.927 -7.596 2.813 1.00 1.05 H new ATOM 0 HG13 ILE A 59 11.186 -9.268 3.266 1.00 1.05 H new ATOM 0 HG21 ILE A 59 12.117 -10.855 1.715 1.00 1.16 H new ATOM 0 HG22 ILE A 59 12.928 -10.318 0.224 1.00 1.16 H new ATOM 0 HG23 ILE A 59 13.675 -10.000 1.808 1.00 1.16 H new ATOM 0 HD11 ILE A 59 12.548 -7.768 4.639 1.00 1.64 H new ATOM 0 HD12 ILE A 59 13.585 -8.811 3.637 1.00 1.64 H new ATOM 0 HD13 ILE A 59 13.322 -7.112 3.177 1.00 1.64 H new ATOM 928 N GLY A 60 14.185 -7.604 -1.297 1.00 0.70 N ATOM 929 CA GLY A 60 14.439 -7.825 -2.705 1.00 0.77 C ATOM 930 C GLY A 60 14.320 -6.561 -3.533 1.00 0.74 C ATOM 931 O GLY A 60 14.707 -6.547 -4.701 1.00 0.79 O ATOM 0 H GLY A 60 14.974 -7.226 -0.772 1.00 0.70 H new ATOM 0 HA2 GLY A 60 15.439 -8.240 -2.827 1.00 0.77 H new ATOM 0 HA3 GLY A 60 13.737 -8.568 -3.083 1.00 0.77 H new ATOM 935 N GLY A 61 13.782 -5.495 -2.942 1.00 0.70 N ATOM 936 CA GLY A 61 13.636 -4.252 -3.676 1.00 0.72 C ATOM 937 C GLY A 61 12.290 -3.593 -3.435 1.00 0.74 C ATOM 938 O GLY A 61 11.374 -4.217 -2.899 1.00 1.20 O ATOM 0 H GLY A 61 13.448 -5.471 -1.978 1.00 0.70 H new ATOM 0 HA2 GLY A 61 14.431 -3.566 -3.385 1.00 0.72 H new ATOM 0 HA3 GLY A 61 13.757 -4.446 -4.742 1.00 0.72 H new ATOM 942 N TYR A 62 12.171 -2.329 -3.827 1.00 0.69 N ATOM 943 CA TYR A 62 10.928 -1.587 -3.643 1.00 0.84 C ATOM 944 C TYR A 62 10.554 -0.805 -4.900 1.00 0.73 C ATOM 945 O TYR A 62 11.376 -0.069 -5.450 1.00 0.97 O ATOM 946 CB TYR A 62 11.060 -0.627 -2.458 1.00 1.36 C ATOM 947 CG TYR A 62 11.945 0.568 -2.742 1.00 1.92 C ATOM 948 CD1 TYR A 62 13.320 0.421 -2.892 1.00 2.32 C ATOM 949 CD2 TYR A 62 11.407 1.842 -2.865 1.00 2.43 C ATOM 950 CE1 TYR A 62 14.129 1.509 -3.155 1.00 3.05 C ATOM 951 CE2 TYR A 62 12.209 2.935 -3.126 1.00 3.07 C ATOM 952 CZ TYR A 62 13.568 2.764 -3.272 1.00 3.35 C ATOM 953 OH TYR A 62 14.372 3.849 -3.534 1.00 4.10 O ATOM 0 H TYR A 62 12.918 -1.797 -4.273 1.00 0.69 H new ATOM 0 HA TYR A 62 10.136 -2.308 -3.443 1.00 0.84 H new ATOM 0 HB2 TYR A 62 10.068 -0.275 -2.174 1.00 1.36 H new ATOM 0 HB3 TYR A 62 11.462 -1.171 -1.603 1.00 1.36 H new ATOM 0 HD1 TYR A 62 13.762 -0.560 -2.801 1.00 2.32 H new ATOM 0 HD2 TYR A 62 10.342 1.981 -2.754 1.00 2.43 H new ATOM 0 HE1 TYR A 62 15.195 1.378 -3.268 1.00 3.05 H new ATOM 0 HE2 TYR A 62 11.773 3.919 -3.215 1.00 3.07 H new ATOM 0 HH TYR A 62 13.822 4.658 -3.587 1.00 4.10 H new ATOM 963 N LYS A 63 9.311 -0.959 -5.343 1.00 0.66 N ATOM 964 CA LYS A 63 8.830 -0.255 -6.527 1.00 0.78 C ATOM 965 C LYS A 63 7.489 0.416 -6.235 1.00 0.67 C ATOM 966 O LYS A 63 6.526 -0.246 -5.848 1.00 0.54 O ATOM 967 CB LYS A 63 8.692 -1.216 -7.710 1.00 1.11 C ATOM 968 CG LYS A 63 9.689 -2.365 -7.690 1.00 1.28 C ATOM 969 CD LYS A 63 9.797 -3.034 -9.051 1.00 1.83 C ATOM 970 CE LYS A 63 9.831 -4.548 -8.927 1.00 2.36 C ATOM 971 NZ LYS A 63 10.776 -5.164 -9.899 1.00 3.18 N ATOM 0 H LYS A 63 8.619 -1.564 -4.901 1.00 0.66 H new ATOM 0 HA LYS A 63 9.559 0.512 -6.789 1.00 0.78 H new ATOM 0 HB2 LYS A 63 7.682 -1.625 -7.718 1.00 1.11 H new ATOM 0 HB3 LYS A 63 8.816 -0.656 -8.637 1.00 1.11 H new ATOM 0 HG2 LYS A 63 10.668 -1.993 -7.388 1.00 1.28 H new ATOM 0 HG3 LYS A 63 9.383 -3.100 -6.945 1.00 1.28 H new ATOM 0 HD2 LYS A 63 8.951 -2.738 -9.671 1.00 1.83 H new ATOM 0 HD3 LYS A 63 10.699 -2.689 -9.556 1.00 1.83 H new ATOM 0 HE2 LYS A 63 10.123 -4.823 -7.913 1.00 2.36 H new ATOM 0 HE3 LYS A 63 8.830 -4.948 -9.090 1.00 2.36 H new ATOM 0 HZ1 LYS A 63 10.770 -6.197 -9.782 1.00 3.18 H new ATOM 0 HZ2 LYS A 63 10.484 -4.923 -10.868 1.00 3.18 H new ATOM 0 HZ3 LYS A 63 11.736 -4.802 -9.727 1.00 3.18 H new ATOM 985 N VAL A 64 7.438 1.730 -6.419 1.00 0.81 N ATOM 986 CA VAL A 64 6.213 2.482 -6.170 1.00 0.77 C ATOM 987 C VAL A 64 5.963 3.537 -7.242 1.00 0.82 C ATOM 988 O VAL A 64 6.893 4.197 -7.707 1.00 0.89 O ATOM 989 CB VAL A 64 6.248 3.170 -4.793 1.00 0.85 C ATOM 990 CG1 VAL A 64 7.322 4.247 -4.758 1.00 1.49 C ATOM 991 CG2 VAL A 64 4.885 3.753 -4.454 1.00 1.71 C ATOM 0 H VAL A 64 8.225 2.295 -6.738 1.00 0.81 H new ATOM 0 HA VAL A 64 5.400 1.756 -6.194 1.00 0.77 H new ATOM 0 HB VAL A 64 6.495 2.422 -4.040 1.00 0.85 H new ATOM 0 HG11 VAL A 64 7.330 4.721 -3.776 1.00 1.49 H new ATOM 0 HG12 VAL A 64 8.295 3.796 -4.952 1.00 1.49 H new ATOM 0 HG13 VAL A 64 7.111 4.996 -5.521 1.00 1.49 H new ATOM 0 HG21 VAL A 64 4.928 4.235 -3.477 1.00 1.71 H new ATOM 0 HG22 VAL A 64 4.605 4.487 -5.209 1.00 1.71 H new ATOM 0 HG23 VAL A 64 4.143 2.955 -4.432 1.00 1.71 H new ATOM 1001 N ARG A 65 4.699 3.697 -7.624 1.00 0.82 N ATOM 1002 CA ARG A 65 4.329 4.682 -8.633 1.00 0.92 C ATOM 1003 C ARG A 65 4.495 6.094 -8.086 1.00 1.03 C ATOM 1004 O ARG A 65 3.843 6.477 -7.113 1.00 1.18 O ATOM 1005 CB ARG A 65 2.886 4.464 -9.089 1.00 0.96 C ATOM 1006 CG ARG A 65 2.771 3.772 -10.437 1.00 1.51 C ATOM 1007 CD ARG A 65 3.445 4.578 -11.535 1.00 2.02 C ATOM 1008 NE ARG A 65 2.489 5.044 -12.538 1.00 2.60 N ATOM 1009 CZ ARG A 65 2.050 4.290 -13.541 1.00 3.22 C ATOM 1010 NH1 ARG A 65 2.475 3.042 -13.670 1.00 3.52 N ATOM 1011 NH2 ARG A 65 1.182 4.784 -14.414 1.00 3.99 N ATOM 0 H ARG A 65 3.917 3.159 -7.251 1.00 0.82 H new ATOM 0 HA ARG A 65 4.991 4.558 -9.490 1.00 0.92 H new ATOM 0 HB2 ARG A 65 2.363 3.870 -8.339 1.00 0.96 H new ATOM 0 HB3 ARG A 65 2.381 5.428 -9.141 1.00 0.96 H new ATOM 0 HG2 ARG A 65 3.225 2.783 -10.379 1.00 1.51 H new ATOM 0 HG3 ARG A 65 1.719 3.626 -10.684 1.00 1.51 H new ATOM 0 HD2 ARG A 65 3.955 5.435 -11.095 1.00 2.02 H new ATOM 0 HD3 ARG A 65 4.208 3.967 -12.018 1.00 2.02 H new ATOM 0 HE ARG A 65 2.140 6.000 -12.464 1.00 2.60 H new ATOM 0 HH11 ARG A 65 3.140 2.658 -12.999 1.00 3.52 H new ATOM 0 HH12 ARG A 65 2.137 2.465 -14.440 1.00 3.52 H new ATOM 0 HH21 ARG A 65 0.850 5.744 -14.316 1.00 3.99 H new ATOM 0 HH22 ARG A 65 0.846 4.204 -15.183 1.00 3.99 H new ATOM 1025 N ASN A 66 5.379 6.863 -8.711 1.00 1.03 N ATOM 1026 CA ASN A 66 5.643 8.232 -8.286 1.00 1.16 C ATOM 1027 C ASN A 66 4.348 9.012 -8.074 1.00 1.03 C ATOM 1028 O ASN A 66 4.309 9.970 -7.301 1.00 1.79 O ATOM 1029 CB ASN A 66 6.515 8.948 -9.318 1.00 1.96 C ATOM 1030 CG ASN A 66 7.993 8.840 -9.001 1.00 2.83 C ATOM 1031 OD1 ASN A 66 8.588 7.766 -9.110 1.00 3.41 O ATOM 1032 ND2 ASN A 66 8.596 9.954 -8.602 1.00 3.48 N ATOM 0 H ASN A 66 5.927 6.560 -9.516 1.00 1.03 H new ATOM 0 HA ASN A 66 6.171 8.186 -7.334 1.00 1.16 H new ATOM 0 HB2 ASN A 66 6.326 8.525 -10.305 1.00 1.96 H new ATOM 0 HB3 ASN A 66 6.232 10.000 -9.362 1.00 1.96 H new ATOM 0 HD21 ASN A 66 9.590 9.942 -8.372 1.00 3.48 H new ATOM 0 HD22 ASN A 66 8.065 10.822 -8.526 1.00 3.48 H new ATOM 1039 N GLN A 67 3.288 8.604 -8.766 1.00 1.15 N ATOM 1040 CA GLN A 67 1.999 9.275 -8.647 1.00 1.99 C ATOM 1041 C GLN A 67 1.284 8.875 -7.355 1.00 1.73 C ATOM 1042 O GLN A 67 1.454 9.520 -6.322 1.00 2.55 O ATOM 1043 CB GLN A 67 1.121 8.966 -9.864 1.00 2.86 C ATOM 1044 CG GLN A 67 1.590 9.642 -11.143 1.00 3.88 C ATOM 1045 CD GLN A 67 1.514 11.155 -11.065 1.00 4.69 C ATOM 1046 OE1 GLN A 67 2.476 11.853 -11.381 1.00 5.12 O ATOM 1047 NE2 GLN A 67 0.364 11.669 -10.641 1.00 5.31 N ATOM 0 H GLN A 67 3.297 7.815 -9.412 1.00 1.15 H new ATOM 0 HA GLN A 67 2.181 10.349 -8.610 1.00 1.99 H new ATOM 0 HB2 GLN A 67 1.099 7.888 -10.021 1.00 2.86 H new ATOM 0 HB3 GLN A 67 0.098 9.279 -9.652 1.00 2.86 H new ATOM 0 HG2 GLN A 67 2.618 9.344 -11.351 1.00 3.88 H new ATOM 0 HG3 GLN A 67 0.982 9.294 -11.978 1.00 3.88 H new ATOM 0 HE21 GLN A 67 -0.408 11.052 -10.389 1.00 5.31 H new ATOM 0 HE22 GLN A 67 0.254 12.680 -10.567 1.00 5.31 H new ATOM 1056 N HIS A 68 0.484 7.808 -7.419 1.00 0.89 N ATOM 1057 CA HIS A 68 -0.262 7.320 -6.258 1.00 0.62 C ATOM 1058 C HIS A 68 -1.356 6.354 -6.703 1.00 0.68 C ATOM 1059 O HIS A 68 -2.517 6.500 -6.321 1.00 1.37 O ATOM 1060 CB HIS A 68 -0.887 8.484 -5.473 1.00 0.63 C ATOM 1061 CG HIS A 68 -1.578 9.489 -6.339 1.00 1.42 C ATOM 1062 ND1 HIS A 68 -1.572 10.842 -6.074 1.00 2.23 N ATOM 1063 CD2 HIS A 68 -2.305 9.336 -7.471 1.00 2.22 C ATOM 1064 CE1 HIS A 68 -2.266 11.477 -7.001 1.00 2.85 C ATOM 1065 NE2 HIS A 68 -2.720 10.585 -7.862 1.00 2.83 N ATOM 0 H HIS A 68 0.336 7.263 -8.268 1.00 0.89 H new ATOM 0 HA HIS A 68 0.437 6.799 -5.604 1.00 0.62 H new ATOM 0 HB2 HIS A 68 -1.602 8.084 -4.754 1.00 0.63 H new ATOM 0 HB3 HIS A 68 -0.107 8.986 -4.901 1.00 0.63 H new ATOM 0 HD2 HIS A 68 -2.519 8.404 -7.973 1.00 2.22 H new ATOM 0 HE1 HIS A 68 -2.433 12.543 -7.047 1.00 2.85 H new ATOM 0 HE2 HIS A 68 -3.287 10.790 -8.684 1.00 2.83 H new ATOM 1074 N TRP A 69 -0.980 5.377 -7.524 1.00 0.51 N ATOM 1075 CA TRP A 69 -1.936 4.398 -8.033 1.00 0.45 C ATOM 1076 C TRP A 69 -1.609 2.986 -7.551 1.00 0.37 C ATOM 1077 O TRP A 69 -2.330 2.421 -6.728 1.00 0.44 O ATOM 1078 CB TRP A 69 -1.966 4.437 -9.563 1.00 0.56 C ATOM 1079 CG TRP A 69 -3.286 4.030 -10.142 1.00 0.93 C ATOM 1080 CD1 TRP A 69 -4.523 4.451 -9.741 1.00 1.16 C ATOM 1081 CD2 TRP A 69 -3.503 3.119 -11.225 1.00 1.62 C ATOM 1082 NE1 TRP A 69 -5.494 3.857 -10.510 1.00 1.72 N ATOM 1083 CE2 TRP A 69 -4.894 3.037 -11.429 1.00 2.01 C ATOM 1084 CE3 TRP A 69 -2.656 2.367 -12.045 1.00 2.13 C ATOM 1085 CZ2 TRP A 69 -5.455 2.232 -12.416 1.00 2.74 C ATOM 1086 CZ3 TRP A 69 -3.215 1.568 -13.024 1.00 2.88 C ATOM 1087 CH2 TRP A 69 -4.603 1.506 -13.204 1.00 3.14 C ATOM 0 H TRP A 69 -0.023 5.242 -7.850 1.00 0.51 H new ATOM 0 HA TRP A 69 -2.920 4.662 -7.645 1.00 0.45 H new ATOM 0 HB2 TRP A 69 -1.726 5.446 -9.898 1.00 0.56 H new ATOM 0 HB3 TRP A 69 -1.189 3.779 -9.951 1.00 0.56 H new ATOM 0 HD1 TRP A 69 -4.710 5.148 -8.938 1.00 1.16 H new ATOM 0 HE1 TRP A 69 -6.499 4.003 -10.413 1.00 1.72 H new ATOM 0 HE3 TRP A 69 -1.585 2.410 -11.916 1.00 2.13 H new ATOM 0 HZ2 TRP A 69 -6.525 2.182 -12.555 1.00 2.74 H new ATOM 0 HZ3 TRP A 69 -2.571 0.981 -13.662 1.00 2.88 H new ATOM 0 HH2 TRP A 69 -5.009 0.873 -13.979 1.00 3.14 H new ATOM 1098 N SER A 70 -0.527 2.410 -8.073 1.00 0.35 N ATOM 1099 CA SER A 70 -0.128 1.057 -7.694 1.00 0.33 C ATOM 1100 C SER A 70 1.301 1.026 -7.158 1.00 0.36 C ATOM 1101 O SER A 70 2.129 1.865 -7.509 1.00 0.39 O ATOM 1102 CB SER A 70 -0.252 0.112 -8.891 1.00 0.40 C ATOM 1103 OG SER A 70 -1.344 0.476 -9.719 1.00 1.02 O ATOM 0 H SER A 70 0.085 2.857 -8.756 1.00 0.35 H new ATOM 0 HA SER A 70 -0.797 0.725 -6.900 1.00 0.33 H new ATOM 0 HB2 SER A 70 0.671 0.132 -9.471 1.00 0.40 H new ATOM 0 HB3 SER A 70 -0.384 -0.911 -8.538 1.00 0.40 H new ATOM 0 HG SER A 70 -1.090 1.240 -10.278 1.00 1.02 H new ATOM 1109 N LEU A 71 1.582 0.031 -6.322 1.00 0.38 N ATOM 1110 CA LEU A 71 2.912 -0.148 -5.751 1.00 0.44 C ATOM 1111 C LEU A 71 3.227 -1.636 -5.620 1.00 0.44 C ATOM 1112 O LEU A 71 2.454 -2.383 -5.020 1.00 0.52 O ATOM 1113 CB LEU A 71 3.009 0.533 -4.384 1.00 0.51 C ATOM 1114 CG LEU A 71 1.723 0.517 -3.560 1.00 0.63 C ATOM 1115 CD1 LEU A 71 2.035 0.310 -2.087 1.00 0.98 C ATOM 1116 CD2 LEU A 71 0.945 1.808 -3.765 1.00 0.80 C ATOM 0 H LEU A 71 0.901 -0.668 -6.024 1.00 0.38 H new ATOM 0 HA LEU A 71 3.641 0.314 -6.418 1.00 0.44 H new ATOM 0 HB2 LEU A 71 3.797 0.047 -3.808 1.00 0.51 H new ATOM 0 HB3 LEU A 71 3.315 1.569 -4.532 1.00 0.51 H new ATOM 0 HG LEU A 71 1.106 -0.315 -3.899 1.00 0.63 H new ATOM 0 HD11 LEU A 71 1.106 0.302 -1.516 1.00 0.98 H new ATOM 0 HD12 LEU A 71 2.551 -0.641 -1.955 1.00 0.98 H new ATOM 0 HD13 LEU A 71 2.671 1.121 -1.732 1.00 0.98 H new ATOM 0 HD21 LEU A 71 0.031 1.781 -3.171 1.00 0.80 H new ATOM 0 HD22 LEU A 71 1.556 2.655 -3.452 1.00 0.80 H new ATOM 0 HD23 LEU A 71 0.689 1.915 -4.819 1.00 0.80 H new ATOM 1128 N ILE A 72 4.352 -2.072 -6.175 1.00 0.39 N ATOM 1129 CA ILE A 72 4.724 -3.480 -6.096 1.00 0.39 C ATOM 1130 C ILE A 72 5.957 -3.692 -5.224 1.00 0.36 C ATOM 1131 O ILE A 72 7.009 -3.085 -5.443 1.00 0.38 O ATOM 1132 CB ILE A 72 4.970 -4.096 -7.489 1.00 0.42 C ATOM 1133 CG1 ILE A 72 5.162 -5.609 -7.372 1.00 0.44 C ATOM 1134 CG2 ILE A 72 6.173 -3.454 -8.160 1.00 0.45 C ATOM 1135 CD1 ILE A 72 5.214 -6.317 -8.707 1.00 1.12 C ATOM 0 H ILE A 72 5.014 -1.481 -6.678 1.00 0.39 H new ATOM 0 HA ILE A 72 3.876 -3.988 -5.638 1.00 0.39 H new ATOM 0 HB ILE A 72 4.095 -3.903 -8.110 1.00 0.42 H new ATOM 0 HG12 ILE A 72 6.085 -5.809 -6.828 1.00 0.44 H new ATOM 0 HG13 ILE A 72 4.347 -6.026 -6.781 1.00 0.44 H new ATOM 0 HG21 ILE A 72 6.326 -3.905 -9.140 1.00 0.45 H new ATOM 0 HG22 ILE A 72 5.997 -2.385 -8.276 1.00 0.45 H new ATOM 0 HG23 ILE A 72 7.059 -3.612 -7.546 1.00 0.45 H new ATOM 0 HD11 ILE A 72 5.352 -7.386 -8.547 1.00 1.12 H new ATOM 0 HD12 ILE A 72 4.281 -6.148 -9.245 1.00 1.12 H new ATOM 0 HD13 ILE A 72 6.047 -5.928 -9.293 1.00 1.12 H new ATOM 1147 N MET A 73 5.811 -4.566 -4.236 1.00 0.36 N ATOM 1148 CA MET A 73 6.895 -4.888 -3.317 1.00 0.36 C ATOM 1149 C MET A 73 7.151 -6.390 -3.305 1.00 0.33 C ATOM 1150 O MET A 73 6.234 -7.185 -3.518 1.00 0.43 O ATOM 1151 CB MET A 73 6.560 -4.406 -1.903 1.00 0.43 C ATOM 1152 CG MET A 73 5.224 -4.914 -1.384 1.00 0.83 C ATOM 1153 SD MET A 73 5.393 -6.386 -0.356 1.00 1.86 S ATOM 1154 CE MET A 73 5.767 -5.649 1.232 1.00 2.56 C ATOM 0 H MET A 73 4.943 -5.069 -4.050 1.00 0.36 H new ATOM 0 HA MET A 73 7.796 -4.378 -3.658 1.00 0.36 H new ATOM 0 HB2 MET A 73 7.349 -4.726 -1.223 1.00 0.43 H new ATOM 0 HB3 MET A 73 6.553 -3.316 -1.892 1.00 0.43 H new ATOM 0 HG2 MET A 73 4.739 -4.126 -0.807 1.00 0.83 H new ATOM 0 HG3 MET A 73 4.572 -5.138 -2.228 1.00 0.83 H new ATOM 0 HE1 MET A 73 6.465 -6.287 1.774 1.00 2.56 H new ATOM 0 HE2 MET A 73 6.215 -4.667 1.081 1.00 2.56 H new ATOM 0 HE3 MET A 73 4.849 -5.543 1.809 1.00 2.56 H new ATOM 1164 N GLU A 74 8.394 -6.775 -3.053 1.00 0.33 N ATOM 1165 CA GLU A 74 8.759 -8.185 -3.012 1.00 0.31 C ATOM 1166 C GLU A 74 8.889 -8.663 -1.570 1.00 0.31 C ATOM 1167 O GLU A 74 9.728 -8.170 -0.817 1.00 0.37 O ATOM 1168 CB GLU A 74 10.068 -8.418 -3.766 1.00 0.37 C ATOM 1169 CG GLU A 74 10.477 -9.881 -3.831 1.00 0.41 C ATOM 1170 CD GLU A 74 11.751 -10.096 -4.625 1.00 0.89 C ATOM 1171 OE1 GLU A 74 12.094 -9.218 -5.445 1.00 1.12 O ATOM 1172 OE2 GLU A 74 12.403 -11.142 -4.430 1.00 1.52 O ATOM 0 H GLU A 74 9.166 -6.133 -2.874 1.00 0.33 H new ATOM 0 HA GLU A 74 7.969 -8.758 -3.497 1.00 0.31 H new ATOM 0 HB2 GLU A 74 9.968 -8.031 -4.780 1.00 0.37 H new ATOM 0 HB3 GLU A 74 10.862 -7.848 -3.284 1.00 0.37 H new ATOM 0 HG2 GLU A 74 10.616 -10.261 -2.819 1.00 0.41 H new ATOM 0 HG3 GLU A 74 9.671 -10.460 -4.281 1.00 0.41 H new ATOM 1179 N SER A 75 8.054 -9.623 -1.190 1.00 0.29 N ATOM 1180 CA SER A 75 8.079 -10.159 0.164 1.00 0.33 C ATOM 1181 C SER A 75 8.106 -11.684 0.150 1.00 0.33 C ATOM 1182 O SER A 75 7.066 -12.332 0.022 1.00 0.38 O ATOM 1183 CB SER A 75 6.862 -9.667 0.951 1.00 0.41 C ATOM 1184 OG SER A 75 5.674 -9.806 0.192 1.00 1.32 O ATOM 0 H SER A 75 7.353 -10.045 -1.799 1.00 0.29 H new ATOM 0 HA SER A 75 8.988 -9.804 0.650 1.00 0.33 H new ATOM 0 HB2 SER A 75 6.773 -10.232 1.879 1.00 0.41 H new ATOM 0 HB3 SER A 75 7.001 -8.622 1.226 1.00 0.41 H new ATOM 0 HG SER A 75 5.367 -8.922 -0.100 1.00 1.32 H new ATOM 1190 N VAL A 76 9.300 -12.251 0.289 1.00 0.37 N ATOM 1191 CA VAL A 76 9.459 -13.699 0.299 1.00 0.41 C ATOM 1192 C VAL A 76 9.216 -14.257 1.697 1.00 0.43 C ATOM 1193 O VAL A 76 8.509 -15.250 1.867 1.00 0.46 O ATOM 1194 CB VAL A 76 10.866 -14.116 -0.171 1.00 0.48 C ATOM 1195 CG1 VAL A 76 11.130 -13.609 -1.580 1.00 1.54 C ATOM 1196 CG2 VAL A 76 11.925 -13.606 0.794 1.00 1.33 C ATOM 0 H VAL A 76 10.170 -11.730 0.396 1.00 0.37 H new ATOM 0 HA VAL A 76 8.722 -14.108 -0.393 1.00 0.41 H new ATOM 0 HB VAL A 76 10.916 -15.205 -0.186 1.00 0.48 H new ATOM 0 HG11 VAL A 76 12.128 -13.913 -1.895 1.00 1.54 H new ATOM 0 HG12 VAL A 76 10.391 -14.029 -2.262 1.00 1.54 H new ATOM 0 HG13 VAL A 76 11.061 -12.521 -1.594 1.00 1.54 H new ATOM 0 HG21 VAL A 76 12.912 -13.910 0.445 1.00 1.33 H new ATOM 0 HG22 VAL A 76 11.878 -12.518 0.845 1.00 1.33 H new ATOM 0 HG23 VAL A 76 11.746 -14.023 1.785 1.00 1.33 H new ATOM 1206 N VAL A 77 9.804 -13.604 2.694 1.00 0.45 N ATOM 1207 CA VAL A 77 9.650 -14.028 4.079 1.00 0.49 C ATOM 1208 C VAL A 77 8.462 -13.331 4.748 1.00 0.45 C ATOM 1209 O VAL A 77 7.657 -13.978 5.416 1.00 0.47 O ATOM 1210 CB VAL A 77 10.924 -13.764 4.904 1.00 0.57 C ATOM 1211 CG1 VAL A 77 10.901 -14.572 6.193 1.00 0.80 C ATOM 1212 CG2 VAL A 77 12.164 -14.089 4.087 1.00 0.77 C ATOM 0 H VAL A 77 10.391 -12.780 2.568 1.00 0.45 H new ATOM 0 HA VAL A 77 9.466 -15.102 4.054 1.00 0.49 H new ATOM 0 HB VAL A 77 10.954 -12.706 5.165 1.00 0.57 H new ATOM 0 HG11 VAL A 77 11.808 -14.373 6.763 1.00 0.80 H new ATOM 0 HG12 VAL A 77 10.031 -14.288 6.785 1.00 0.80 H new ATOM 0 HG13 VAL A 77 10.847 -15.634 5.956 1.00 0.80 H new ATOM 0 HG21 VAL A 77 13.055 -13.897 4.685 1.00 0.77 H new ATOM 0 HG22 VAL A 77 12.143 -15.139 3.795 1.00 0.77 H new ATOM 0 HG23 VAL A 77 12.185 -13.465 3.194 1.00 0.77 H new ATOM 1222 N PRO A 78 8.329 -12.001 4.576 1.00 0.43 N ATOM 1223 CA PRO A 78 7.222 -11.244 5.169 1.00 0.41 C ATOM 1224 C PRO A 78 5.867 -11.732 4.670 1.00 0.35 C ATOM 1225 O PRO A 78 4.840 -11.514 5.315 1.00 0.34 O ATOM 1226 CB PRO A 78 7.471 -9.801 4.710 1.00 0.42 C ATOM 1227 CG PRO A 78 8.905 -9.762 4.303 1.00 0.48 C ATOM 1228 CD PRO A 78 9.227 -11.135 3.792 1.00 0.46 C ATOM 0 HA PRO A 78 7.192 -11.353 6.253 1.00 0.41 H new ATOM 0 HB2 PRO A 78 6.818 -9.534 3.879 1.00 0.42 H new ATOM 0 HB3 PRO A 78 7.270 -9.092 5.513 1.00 0.42 H new ATOM 0 HG2 PRO A 78 9.071 -9.010 3.532 1.00 0.48 H new ATOM 0 HG3 PRO A 78 9.543 -9.500 5.147 1.00 0.48 H new ATOM 0 HD2 PRO A 78 9.038 -11.222 2.722 1.00 0.46 H new ATOM 0 HD3 PRO A 78 10.275 -11.390 3.952 1.00 0.46 H new ATOM 1236 N SER A 79 5.870 -12.395 3.516 1.00 0.34 N ATOM 1237 CA SER A 79 4.640 -12.914 2.932 1.00 0.34 C ATOM 1238 C SER A 79 3.885 -13.773 3.937 1.00 0.38 C ATOM 1239 O SER A 79 2.671 -13.941 3.831 1.00 0.39 O ATOM 1240 CB SER A 79 4.952 -13.732 1.676 1.00 0.39 C ATOM 1241 OG SER A 79 4.431 -13.103 0.517 1.00 1.13 O ATOM 0 H SER A 79 6.710 -12.584 2.969 1.00 0.34 H new ATOM 0 HA SER A 79 4.011 -12.067 2.658 1.00 0.34 H new ATOM 0 HB2 SER A 79 6.031 -13.852 1.575 1.00 0.39 H new ATOM 0 HB3 SER A 79 4.527 -14.731 1.774 1.00 0.39 H new ATOM 0 HG SER A 79 5.159 -12.668 0.026 1.00 1.13 H new ATOM 1247 N ASP A 80 4.603 -14.308 4.919 1.00 0.43 N ATOM 1248 CA ASP A 80 3.979 -15.136 5.941 1.00 0.50 C ATOM 1249 C ASP A 80 2.834 -14.383 6.591 1.00 0.42 C ATOM 1250 O ASP A 80 1.841 -14.980 7.005 1.00 0.47 O ATOM 1251 CB ASP A 80 5.002 -15.563 6.995 1.00 0.62 C ATOM 1252 CG ASP A 80 4.469 -16.651 7.908 1.00 1.27 C ATOM 1253 OD1 ASP A 80 3.361 -17.161 7.642 1.00 2.02 O ATOM 1254 OD2 ASP A 80 5.163 -16.994 8.889 1.00 1.69 O ATOM 0 H ASP A 80 5.610 -14.184 5.028 1.00 0.43 H new ATOM 0 HA ASP A 80 3.587 -16.035 5.466 1.00 0.50 H new ATOM 0 HB2 ASP A 80 5.905 -15.919 6.499 1.00 0.62 H new ATOM 0 HB3 ASP A 80 5.287 -14.697 7.593 1.00 0.62 H new ATOM 1259 N LYS A 81 2.960 -13.063 6.651 1.00 0.38 N ATOM 1260 CA LYS A 81 1.910 -12.242 7.219 1.00 0.33 C ATOM 1261 C LYS A 81 1.026 -11.719 6.099 1.00 0.26 C ATOM 1262 O LYS A 81 1.442 -10.871 5.310 1.00 0.27 O ATOM 1263 CB LYS A 81 2.492 -11.063 8.012 1.00 0.40 C ATOM 1264 CG LYS A 81 3.878 -11.314 8.586 1.00 0.91 C ATOM 1265 CD LYS A 81 4.512 -10.026 9.086 1.00 1.02 C ATOM 1266 CE LYS A 81 5.443 -9.418 8.048 1.00 0.87 C ATOM 1267 NZ LYS A 81 6.864 -9.449 8.489 1.00 1.23 N ATOM 0 H LYS A 81 3.773 -12.546 6.315 1.00 0.38 H new ATOM 0 HA LYS A 81 1.325 -12.853 7.906 1.00 0.33 H new ATOM 0 HB2 LYS A 81 2.534 -10.189 7.362 1.00 0.40 H new ATOM 0 HB3 LYS A 81 1.812 -10.820 8.829 1.00 0.40 H new ATOM 0 HG2 LYS A 81 3.810 -12.030 9.405 1.00 0.91 H new ATOM 0 HG3 LYS A 81 4.514 -11.762 7.823 1.00 0.91 H new ATOM 0 HD2 LYS A 81 3.730 -9.309 9.338 1.00 1.02 H new ATOM 0 HD3 LYS A 81 5.069 -10.226 10.002 1.00 1.02 H new ATOM 0 HE2 LYS A 81 5.343 -9.961 7.108 1.00 0.87 H new ATOM 0 HE3 LYS A 81 5.146 -8.387 7.854 1.00 0.87 H new ATOM 0 HZ1 LYS A 81 7.465 -9.026 7.753 1.00 1.23 H new ATOM 0 HZ2 LYS A 81 6.965 -8.909 9.372 1.00 1.23 H new ATOM 0 HZ3 LYS A 81 7.156 -10.434 8.650 1.00 1.23 H new ATOM 1281 N GLY A 82 -0.181 -12.256 6.009 1.00 0.24 N ATOM 1282 CA GLY A 82 -1.082 -11.856 4.952 1.00 0.24 C ATOM 1283 C GLY A 82 -2.051 -10.775 5.382 1.00 0.28 C ATOM 1284 O GLY A 82 -3.262 -10.899 5.211 1.00 0.53 O ATOM 0 H GLY A 82 -0.551 -12.960 6.648 1.00 0.24 H new ATOM 0 HA2 GLY A 82 -0.501 -11.499 4.102 1.00 0.24 H new ATOM 0 HA3 GLY A 82 -1.644 -12.726 4.611 1.00 0.24 H new ATOM 1288 N ASN A 83 -1.498 -9.693 5.913 1.00 0.23 N ATOM 1289 CA ASN A 83 -2.287 -8.548 6.342 1.00 0.28 C ATOM 1290 C ASN A 83 -1.771 -7.295 5.646 1.00 0.30 C ATOM 1291 O ASN A 83 -0.658 -6.847 5.916 1.00 0.36 O ATOM 1292 CB ASN A 83 -2.212 -8.383 7.862 1.00 0.40 C ATOM 1293 CG ASN A 83 -2.870 -7.103 8.341 1.00 0.82 C ATOM 1294 OD1 ASN A 83 -2.362 -6.007 8.112 1.00 1.63 O ATOM 1295 ND2 ASN A 83 -4.009 -7.237 9.012 1.00 0.96 N ATOM 0 H ASN A 83 -0.494 -9.585 6.058 1.00 0.23 H new ATOM 0 HA ASN A 83 -3.330 -8.709 6.071 1.00 0.28 H new ATOM 0 HB2 ASN A 83 -2.693 -9.236 8.341 1.00 0.40 H new ATOM 0 HB3 ASN A 83 -1.168 -8.389 8.174 1.00 0.40 H new ATOM 0 HD21 ASN A 83 -4.497 -6.411 9.359 1.00 0.96 H new ATOM 0 HD22 ASN A 83 -4.396 -8.166 9.180 1.00 0.96 H new ATOM 1302 N TYR A 84 -2.566 -6.740 4.740 1.00 0.33 N ATOM 1303 CA TYR A 84 -2.147 -5.551 4.011 1.00 0.40 C ATOM 1304 C TYR A 84 -2.898 -4.315 4.479 1.00 0.35 C ATOM 1305 O TYR A 84 -4.129 -4.280 4.470 1.00 0.44 O ATOM 1306 CB TYR A 84 -2.348 -5.745 2.508 1.00 0.57 C ATOM 1307 CG TYR A 84 -1.055 -5.939 1.745 1.00 1.17 C ATOM 1308 CD1 TYR A 84 0.000 -6.651 2.301 1.00 1.96 C ATOM 1309 CD2 TYR A 84 -0.892 -5.413 0.469 1.00 1.74 C ATOM 1310 CE1 TYR A 84 1.182 -6.834 1.610 1.00 2.76 C ATOM 1311 CE2 TYR A 84 0.287 -5.593 -0.230 1.00 2.46 C ATOM 1312 CZ TYR A 84 1.322 -6.289 0.344 1.00 2.86 C ATOM 1313 OH TYR A 84 2.496 -6.483 -0.350 1.00 3.72 O ATOM 0 H TYR A 84 -3.493 -7.089 4.495 1.00 0.33 H new ATOM 0 HA TYR A 84 -1.087 -5.400 4.214 1.00 0.40 H new ATOM 0 HB2 TYR A 84 -2.990 -6.610 2.344 1.00 0.57 H new ATOM 0 HB3 TYR A 84 -2.872 -4.878 2.105 1.00 0.57 H new ATOM 0 HD1 TYR A 84 -0.106 -7.069 3.291 1.00 1.96 H new ATOM 0 HD2 TYR A 84 -1.699 -4.855 0.017 1.00 1.74 H new ATOM 0 HE1 TYR A 84 1.990 -7.397 2.053 1.00 2.76 H new ATOM 0 HE2 TYR A 84 0.394 -5.187 -1.225 1.00 2.46 H new ATOM 0 HH TYR A 84 3.258 -6.339 0.249 1.00 3.72 H new ATOM 1323 N THR A 85 -2.146 -3.299 4.882 1.00 0.32 N ATOM 1324 CA THR A 85 -2.735 -2.054 5.346 1.00 0.33 C ATOM 1325 C THR A 85 -2.185 -0.868 4.562 1.00 0.29 C ATOM 1326 O THR A 85 -0.984 -0.600 4.576 1.00 0.31 O ATOM 1327 CB THR A 85 -2.469 -1.830 6.847 1.00 0.45 C ATOM 1328 OG1 THR A 85 -2.168 -3.078 7.483 1.00 1.14 O ATOM 1329 CG2 THR A 85 -3.674 -1.189 7.520 1.00 1.00 C ATOM 0 H THR A 85 -1.126 -3.315 4.896 1.00 0.32 H new ATOM 0 HA THR A 85 -3.810 -2.130 5.185 1.00 0.33 H new ATOM 0 HB THR A 85 -1.617 -1.158 6.946 1.00 0.45 H new ATOM 0 HG1 THR A 85 -1.297 -3.402 7.172 1.00 1.14 H new ATOM 0 HG21 THR A 85 -3.463 -1.040 8.579 1.00 1.00 H new ATOM 0 HG22 THR A 85 -3.882 -0.226 7.053 1.00 1.00 H new ATOM 0 HG23 THR A 85 -4.541 -1.840 7.411 1.00 1.00 H new ATOM 1337 N CYS A 86 -3.079 -0.159 3.885 1.00 0.30 N ATOM 1338 CA CYS A 86 -2.700 1.006 3.097 1.00 0.30 C ATOM 1339 C CYS A 86 -3.127 2.277 3.817 1.00 0.30 C ATOM 1340 O CYS A 86 -4.310 2.619 3.844 1.00 0.31 O ATOM 1341 CB CYS A 86 -3.344 0.938 1.710 1.00 0.36 C ATOM 1342 SG CYS A 86 -3.138 2.447 0.705 1.00 0.65 S ATOM 0 H CYS A 86 -4.076 -0.372 3.866 1.00 0.30 H new ATOM 0 HA CYS A 86 -1.617 1.016 2.975 1.00 0.30 H new ATOM 0 HB2 CYS A 86 -2.919 0.094 1.167 1.00 0.36 H new ATOM 0 HB3 CYS A 86 -4.409 0.737 1.827 1.00 0.36 H new ATOM 1347 N VAL A 87 -2.161 2.978 4.398 1.00 0.29 N ATOM 1348 CA VAL A 87 -2.451 4.210 5.112 1.00 0.30 C ATOM 1349 C VAL A 87 -1.897 5.414 4.358 1.00 0.31 C ATOM 1350 O VAL A 87 -0.693 5.666 4.372 1.00 0.30 O ATOM 1351 CB VAL A 87 -1.876 4.170 6.548 1.00 0.33 C ATOM 1352 CG1 VAL A 87 -0.423 3.722 6.529 1.00 0.94 C ATOM 1353 CG2 VAL A 87 -2.019 5.521 7.242 1.00 0.97 C ATOM 0 H VAL A 87 -1.176 2.714 4.388 1.00 0.29 H new ATOM 0 HA VAL A 87 -3.535 4.307 5.179 1.00 0.30 H new ATOM 0 HB VAL A 87 -2.453 3.444 7.120 1.00 0.33 H new ATOM 0 HG11 VAL A 87 -0.036 3.700 7.548 1.00 0.94 H new ATOM 0 HG12 VAL A 87 -0.355 2.725 6.093 1.00 0.94 H new ATOM 0 HG13 VAL A 87 0.165 4.419 5.932 1.00 0.94 H new ATOM 0 HG21 VAL A 87 -1.605 5.459 8.249 1.00 0.97 H new ATOM 0 HG22 VAL A 87 -1.480 6.280 6.675 1.00 0.97 H new ATOM 0 HG23 VAL A 87 -3.074 5.791 7.299 1.00 0.97 H new ATOM 1363 N VAL A 88 -2.779 6.159 3.702 1.00 0.32 N ATOM 1364 CA VAL A 88 -2.350 7.333 2.959 1.00 0.33 C ATOM 1365 C VAL A 88 -2.520 8.591 3.797 1.00 0.30 C ATOM 1366 O VAL A 88 -3.637 8.994 4.116 1.00 0.30 O ATOM 1367 CB VAL A 88 -3.141 7.494 1.647 1.00 0.36 C ATOM 1368 CG1 VAL A 88 -2.974 6.266 0.766 1.00 1.45 C ATOM 1369 CG2 VAL A 88 -4.613 7.754 1.938 1.00 1.50 C ATOM 0 H VAL A 88 -3.781 5.973 3.670 1.00 0.32 H new ATOM 0 HA VAL A 88 -1.296 7.191 2.718 1.00 0.33 H new ATOM 0 HB VAL A 88 -2.743 8.354 1.109 1.00 0.36 H new ATOM 0 HG11 VAL A 88 -3.540 6.400 -0.156 1.00 1.45 H new ATOM 0 HG12 VAL A 88 -1.919 6.130 0.527 1.00 1.45 H new ATOM 0 HG13 VAL A 88 -3.343 5.387 1.294 1.00 1.45 H new ATOM 0 HG21 VAL A 88 -5.155 7.865 0.999 1.00 1.50 H new ATOM 0 HG22 VAL A 88 -5.027 6.916 2.499 1.00 1.50 H new ATOM 0 HG23 VAL A 88 -4.712 8.667 2.524 1.00 1.50 H new ATOM 1379 N GLU A 89 -1.398 9.195 4.163 1.00 0.32 N ATOM 1380 CA GLU A 89 -1.413 10.396 4.979 1.00 0.32 C ATOM 1381 C GLU A 89 -1.114 11.635 4.148 1.00 0.31 C ATOM 1382 O GLU A 89 -0.425 11.569 3.128 1.00 0.32 O ATOM 1383 CB GLU A 89 -0.399 10.273 6.117 1.00 0.37 C ATOM 1384 CG GLU A 89 -0.568 11.331 7.196 1.00 0.43 C ATOM 1385 CD GLU A 89 0.547 12.357 7.185 1.00 0.83 C ATOM 1386 OE1 GLU A 89 0.860 12.883 6.096 1.00 1.46 O ATOM 1387 OE2 GLU A 89 1.107 12.636 8.266 1.00 1.33 O ATOM 0 H GLU A 89 -0.466 8.871 3.906 1.00 0.32 H new ATOM 0 HA GLU A 89 -2.414 10.503 5.398 1.00 0.32 H new ATOM 0 HB2 GLU A 89 -0.491 9.286 6.570 1.00 0.37 H new ATOM 0 HB3 GLU A 89 0.608 10.343 5.705 1.00 0.37 H new ATOM 0 HG2 GLU A 89 -1.524 11.837 7.057 1.00 0.43 H new ATOM 0 HG3 GLU A 89 -0.602 10.847 8.172 1.00 0.43 H new ATOM 1394 N ASN A 90 -1.628 12.769 4.605 1.00 0.33 N ATOM 1395 CA ASN A 90 -1.414 14.038 3.933 1.00 0.36 C ATOM 1396 C ASN A 90 -1.219 15.141 4.966 1.00 0.43 C ATOM 1397 O ASN A 90 -1.581 14.983 6.131 1.00 0.39 O ATOM 1398 CB ASN A 90 -2.595 14.373 3.023 1.00 0.37 C ATOM 1399 CG ASN A 90 -3.922 14.291 3.747 1.00 0.52 C ATOM 1400 OD1 ASN A 90 -4.395 15.277 4.315 1.00 1.54 O ATOM 1401 ND2 ASN A 90 -4.534 13.113 3.730 1.00 0.86 N ATOM 0 H ASN A 90 -2.201 12.833 5.446 1.00 0.33 H new ATOM 0 HA ASN A 90 -0.518 13.960 3.317 1.00 0.36 H new ATOM 0 HB2 ASN A 90 -2.466 15.377 2.619 1.00 0.37 H new ATOM 0 HB3 ASN A 90 -2.603 13.687 2.176 1.00 0.37 H new ATOM 0 HD21 ASN A 90 -5.432 12.998 4.200 1.00 0.86 H new ATOM 0 HD22 ASN A 90 -4.106 12.323 3.247 1.00 0.86 H new ATOM 1408 N GLU A 91 -0.655 16.258 4.536 1.00 0.57 N ATOM 1409 CA GLU A 91 -0.427 17.384 5.431 1.00 0.66 C ATOM 1410 C GLU A 91 -1.737 17.854 6.065 1.00 0.68 C ATOM 1411 O GLU A 91 -1.727 18.551 7.079 1.00 0.75 O ATOM 1412 CB GLU A 91 0.231 18.540 4.673 1.00 0.76 C ATOM 1413 CG GLU A 91 1.111 19.417 5.549 1.00 1.15 C ATOM 1414 CD GLU A 91 0.840 20.896 5.351 1.00 1.72 C ATOM 1415 OE1 GLU A 91 -0.281 21.242 4.926 1.00 2.34 O ATOM 1416 OE2 GLU A 91 1.751 21.706 5.621 1.00 2.24 O ATOM 0 H GLU A 91 -0.347 16.410 3.576 1.00 0.57 H new ATOM 0 HA GLU A 91 0.241 17.053 6.227 1.00 0.66 H new ATOM 0 HB2 GLU A 91 0.832 18.135 3.859 1.00 0.76 H new ATOM 0 HB3 GLU A 91 -0.546 19.156 4.220 1.00 0.76 H new ATOM 0 HG2 GLU A 91 0.949 19.158 6.595 1.00 1.15 H new ATOM 0 HG3 GLU A 91 2.158 19.210 5.328 1.00 1.15 H new ATOM 1423 N TYR A 92 -2.865 17.487 5.453 1.00 0.64 N ATOM 1424 CA TYR A 92 -4.173 17.896 5.957 1.00 0.68 C ATOM 1425 C TYR A 92 -4.898 16.766 6.699 1.00 0.60 C ATOM 1426 O TYR A 92 -6.032 16.947 7.142 1.00 0.63 O ATOM 1427 CB TYR A 92 -5.044 18.399 4.806 1.00 0.75 C ATOM 1428 CG TYR A 92 -5.504 19.829 4.975 1.00 1.12 C ATOM 1429 CD1 TYR A 92 -6.551 20.145 5.832 1.00 1.54 C ATOM 1430 CD2 TYR A 92 -4.893 20.863 4.277 1.00 1.64 C ATOM 1431 CE1 TYR A 92 -6.975 21.451 5.990 1.00 2.05 C ATOM 1432 CE2 TYR A 92 -5.310 22.171 4.429 1.00 2.10 C ATOM 1433 CZ TYR A 92 -6.349 22.461 5.291 1.00 2.19 C ATOM 1434 OH TYR A 92 -6.772 23.763 5.439 1.00 2.77 O ATOM 0 H TYR A 92 -2.897 16.910 4.612 1.00 0.64 H new ATOM 0 HA TYR A 92 -4.002 18.699 6.674 1.00 0.68 H new ATOM 0 HB2 TYR A 92 -4.485 18.314 3.874 1.00 0.75 H new ATOM 0 HB3 TYR A 92 -5.918 17.754 4.714 1.00 0.75 H new ATOM 0 HD1 TYR A 92 -7.042 19.357 6.384 1.00 1.54 H new ATOM 0 HD2 TYR A 92 -4.078 20.640 3.604 1.00 1.64 H new ATOM 0 HE1 TYR A 92 -7.793 21.679 6.658 1.00 2.05 H new ATOM 0 HE2 TYR A 92 -4.826 22.963 3.877 1.00 2.10 H new ATOM 0 HH TYR A 92 -6.225 24.351 4.877 1.00 2.77 H new ATOM 1444 N GLY A 93 -4.255 15.608 6.836 1.00 0.52 N ATOM 1445 CA GLY A 93 -4.896 14.499 7.530 1.00 0.47 C ATOM 1446 C GLY A 93 -4.350 13.142 7.137 1.00 0.40 C ATOM 1447 O GLY A 93 -3.595 13.021 6.172 1.00 0.40 O ATOM 0 H GLY A 93 -3.316 15.418 6.486 1.00 0.52 H new ATOM 0 HA2 GLY A 93 -4.773 14.634 8.605 1.00 0.47 H new ATOM 0 HA3 GLY A 93 -5.967 14.524 7.326 1.00 0.47 H new ATOM 1451 N SER A 94 -4.733 12.115 7.895 1.00 0.38 N ATOM 1452 CA SER A 94 -4.276 10.753 7.634 1.00 0.34 C ATOM 1453 C SER A 94 -5.447 9.775 7.571 1.00 0.34 C ATOM 1454 O SER A 94 -6.395 9.874 8.352 1.00 0.38 O ATOM 1455 CB SER A 94 -3.284 10.309 8.711 1.00 0.35 C ATOM 1456 OG SER A 94 -2.676 11.426 9.337 1.00 1.04 O ATOM 0 H SER A 94 -5.359 12.202 8.695 1.00 0.38 H new ATOM 0 HA SER A 94 -3.779 10.751 6.664 1.00 0.34 H new ATOM 0 HB2 SER A 94 -3.800 9.706 9.458 1.00 0.35 H new ATOM 0 HB3 SER A 94 -2.517 9.676 8.265 1.00 0.35 H new ATOM 0 HG SER A 94 -2.048 11.115 10.022 1.00 1.04 H new ATOM 1462 N ILE A 95 -5.371 8.833 6.634 1.00 0.32 N ATOM 1463 CA ILE A 95 -6.423 7.831 6.457 1.00 0.34 C ATOM 1464 C ILE A 95 -5.835 6.420 6.523 1.00 0.31 C ATOM 1465 O ILE A 95 -4.654 6.222 6.245 1.00 0.29 O ATOM 1466 CB ILE A 95 -7.175 8.009 5.117 1.00 0.38 C ATOM 1467 CG1 ILE A 95 -7.086 9.463 4.623 1.00 0.41 C ATOM 1468 CG2 ILE A 95 -8.627 7.580 5.273 1.00 0.44 C ATOM 1469 CD1 ILE A 95 -8.026 9.784 3.479 1.00 0.47 C ATOM 0 H ILE A 95 -4.591 8.741 5.984 1.00 0.32 H new ATOM 0 HA ILE A 95 -7.136 7.973 7.269 1.00 0.34 H new ATOM 0 HB ILE A 95 -6.701 7.375 4.368 1.00 0.38 H new ATOM 0 HG12 ILE A 95 -7.302 10.133 5.456 1.00 0.41 H new ATOM 0 HG13 ILE A 95 -6.063 9.667 4.307 1.00 0.41 H new ATOM 0 HG21 ILE A 95 -9.148 7.709 4.325 1.00 0.44 H new ATOM 0 HG22 ILE A 95 -8.667 6.532 5.569 1.00 0.44 H new ATOM 0 HG23 ILE A 95 -9.107 8.192 6.037 1.00 0.44 H new ATOM 0 HD11 ILE A 95 -7.903 10.827 3.189 1.00 0.47 H new ATOM 0 HD12 ILE A 95 -7.797 9.141 2.629 1.00 0.47 H new ATOM 0 HD13 ILE A 95 -9.055 9.615 3.795 1.00 0.47 H new ATOM 1481 N ASN A 96 -6.659 5.444 6.906 1.00 0.34 N ATOM 1482 CA ASN A 96 -6.194 4.060 7.018 1.00 0.34 C ATOM 1483 C ASN A 96 -7.055 3.100 6.198 1.00 0.34 C ATOM 1484 O ASN A 96 -8.280 3.224 6.157 1.00 0.38 O ATOM 1485 CB ASN A 96 -6.187 3.623 8.483 1.00 0.38 C ATOM 1486 CG ASN A 96 -5.753 4.732 9.422 1.00 1.12 C ATOM 1487 OD1 ASN A 96 -4.662 4.689 9.989 1.00 2.04 O ATOM 1488 ND2 ASN A 96 -6.607 5.735 9.588 1.00 1.12 N ATOM 0 H ASN A 96 -7.642 5.583 7.142 1.00 0.34 H new ATOM 0 HA ASN A 96 -5.180 4.024 6.619 1.00 0.34 H new ATOM 0 HB2 ASN A 96 -7.185 3.286 8.762 1.00 0.38 H new ATOM 0 HB3 ASN A 96 -5.518 2.770 8.600 1.00 0.38 H new ATOM 0 HD21 ASN A 96 -6.369 6.511 10.206 1.00 1.12 H new ATOM 0 HD22 ASN A 96 -7.501 5.730 9.098 1.00 1.12 H new ATOM 1495 N HIS A 97 -6.399 2.134 5.557 1.00 0.32 N ATOM 1496 CA HIS A 97 -7.088 1.132 4.744 1.00 0.34 C ATOM 1497 C HIS A 97 -6.540 -0.266 5.033 1.00 0.33 C ATOM 1498 O HIS A 97 -5.334 -0.493 4.964 1.00 0.33 O ATOM 1499 CB HIS A 97 -6.935 1.460 3.258 1.00 0.36 C ATOM 1500 CG HIS A 97 -7.096 2.915 2.947 1.00 0.43 C ATOM 1501 ND1 HIS A 97 -6.149 3.651 2.266 1.00 1.25 N ATOM 1502 CD2 HIS A 97 -8.106 3.776 3.230 1.00 1.06 C ATOM 1503 CE1 HIS A 97 -6.565 4.899 2.146 1.00 1.06 C ATOM 1504 NE2 HIS A 97 -7.749 5.001 2.721 1.00 0.85 N ATOM 0 H HIS A 97 -5.385 2.024 5.585 1.00 0.32 H new ATOM 0 HA HIS A 97 -8.147 1.149 5.002 1.00 0.34 H new ATOM 0 HB2 HIS A 97 -5.952 1.131 2.921 1.00 0.36 H new ATOM 0 HB3 HIS A 97 -7.672 0.892 2.691 1.00 0.36 H new ATOM 0 HD1 HIS A 97 -5.265 3.288 1.910 1.00 1.25 H new ATOM 0 HD2 HIS A 97 -9.019 3.542 3.757 1.00 1.06 H new ATOM 0 HE1 HIS A 97 -6.028 5.700 1.660 1.00 1.06 H new ATOM 1513 N THR A 98 -7.430 -1.202 5.358 1.00 0.35 N ATOM 1514 CA THR A 98 -7.023 -2.574 5.658 1.00 0.35 C ATOM 1515 C THR A 98 -7.611 -3.575 4.664 1.00 0.35 C ATOM 1516 O THR A 98 -8.755 -3.429 4.230 1.00 0.36 O ATOM 1517 CB THR A 98 -7.440 -2.981 7.083 1.00 0.38 C ATOM 1518 OG1 THR A 98 -7.555 -1.818 7.913 1.00 1.33 O ATOM 1519 CG2 THR A 98 -6.432 -3.944 7.690 1.00 1.36 C ATOM 0 H THR A 98 -8.435 -1.037 5.420 1.00 0.35 H new ATOM 0 HA THR A 98 -5.936 -2.596 5.576 1.00 0.35 H new ATOM 0 HB THR A 98 -8.406 -3.482 7.023 1.00 0.38 H new ATOM 0 HG1 THR A 98 -7.822 -2.086 8.817 1.00 1.33 H new ATOM 0 HG21 THR A 98 -6.749 -4.216 8.697 1.00 1.36 H new ATOM 0 HG22 THR A 98 -6.369 -4.841 7.074 1.00 1.36 H new ATOM 0 HG23 THR A 98 -5.453 -3.466 7.735 1.00 1.36 H new ATOM 1527 N TYR A 99 -6.832 -4.600 4.320 1.00 0.39 N ATOM 1528 CA TYR A 99 -7.290 -5.633 3.391 1.00 0.42 C ATOM 1529 C TYR A 99 -6.892 -7.026 3.887 1.00 0.42 C ATOM 1530 O TYR A 99 -5.793 -7.232 4.408 1.00 0.45 O ATOM 1531 CB TYR A 99 -6.759 -5.372 1.979 1.00 0.53 C ATOM 1532 CG TYR A 99 -6.603 -3.903 1.655 1.00 0.57 C ATOM 1533 CD1 TYR A 99 -7.704 -3.135 1.301 1.00 0.73 C ATOM 1534 CD2 TYR A 99 -5.361 -3.284 1.707 1.00 0.85 C ATOM 1535 CE1 TYR A 99 -7.572 -1.792 1.007 1.00 0.81 C ATOM 1536 CE2 TYR A 99 -5.220 -1.940 1.415 1.00 0.96 C ATOM 1537 CZ TYR A 99 -6.330 -1.200 1.065 1.00 0.81 C ATOM 1538 OH TYR A 99 -6.198 0.138 0.771 1.00 0.96 O ATOM 0 H TYR A 99 -5.884 -4.737 4.669 1.00 0.39 H new ATOM 0 HA TYR A 99 -8.378 -5.594 3.348 1.00 0.42 H new ATOM 0 HB2 TYR A 99 -5.794 -5.865 1.865 1.00 0.53 H new ATOM 0 HB3 TYR A 99 -7.436 -5.826 1.255 1.00 0.53 H new ATOM 0 HD1 TYR A 99 -8.680 -3.595 1.255 1.00 0.73 H new ATOM 0 HD2 TYR A 99 -4.491 -3.862 1.980 1.00 0.85 H new ATOM 0 HE1 TYR A 99 -8.439 -1.209 0.733 1.00 0.81 H new ATOM 0 HE2 TYR A 99 -4.247 -1.473 1.461 1.00 0.96 H new ATOM 0 HH TYR A 99 -5.505 0.256 0.088 1.00 0.96 H new ATOM 1548 N HIS A 100 -7.831 -7.959 3.759 1.00 0.41 N ATOM 1549 CA HIS A 100 -7.640 -9.333 4.235 1.00 0.44 C ATOM 1550 C HIS A 100 -6.880 -10.232 3.252 1.00 0.42 C ATOM 1551 O HIS A 100 -7.435 -10.701 2.269 1.00 0.45 O ATOM 1552 CB HIS A 100 -8.995 -9.963 4.562 1.00 0.53 C ATOM 1553 CG HIS A 100 -9.933 -9.032 5.263 1.00 0.82 C ATOM 1554 ND1 HIS A 100 -10.067 -8.988 6.635 1.00 1.39 N ATOM 1555 CD2 HIS A 100 -10.787 -8.100 4.774 1.00 1.62 C ATOM 1556 CE1 HIS A 100 -10.961 -8.072 6.960 1.00 1.53 C ATOM 1557 NE2 HIS A 100 -11.412 -7.519 5.850 1.00 1.70 N ATOM 0 H HIS A 100 -8.739 -7.790 3.327 1.00 0.41 H new ATOM 0 HA HIS A 100 -7.021 -9.260 5.129 1.00 0.44 H new ATOM 0 HB2 HIS A 100 -9.460 -10.306 3.638 1.00 0.53 H new ATOM 0 HB3 HIS A 100 -8.837 -10.843 5.185 1.00 0.53 H new ATOM 0 HD2 HIS A 100 -10.946 -7.859 3.733 1.00 1.62 H new ATOM 0 HE1 HIS A 100 -11.270 -7.819 7.963 1.00 1.53 H new ATOM 0 HE2 HIS A 100 -12.112 -6.779 5.799 1.00 1.70 H new ATOM 1566 N LEU A 101 -5.616 -10.516 3.537 1.00 0.44 N ATOM 1567 CA LEU A 101 -4.843 -11.398 2.665 1.00 0.45 C ATOM 1568 C LEU A 101 -4.621 -12.760 3.316 1.00 0.48 C ATOM 1569 O LEU A 101 -4.486 -12.866 4.534 1.00 0.53 O ATOM 1570 CB LEU A 101 -3.496 -10.775 2.299 1.00 0.51 C ATOM 1571 CG LEU A 101 -3.504 -9.260 2.107 1.00 1.07 C ATOM 1572 CD1 LEU A 101 -2.145 -8.782 1.623 1.00 1.90 C ATOM 1573 CD2 LEU A 101 -4.595 -8.856 1.127 1.00 1.63 C ATOM 0 H LEU A 101 -5.110 -10.158 4.347 1.00 0.44 H new ATOM 0 HA LEU A 101 -5.423 -11.536 1.752 1.00 0.45 H new ATOM 0 HB2 LEU A 101 -2.777 -11.021 3.080 1.00 0.51 H new ATOM 0 HB3 LEU A 101 -3.139 -11.239 1.380 1.00 0.51 H new ATOM 0 HG LEU A 101 -3.713 -8.788 3.067 1.00 1.07 H new ATOM 0 HD11 LEU A 101 -2.166 -7.700 1.491 1.00 1.90 H new ATOM 0 HD12 LEU A 101 -1.384 -9.043 2.359 1.00 1.90 H new ATOM 0 HD13 LEU A 101 -1.909 -9.259 0.672 1.00 1.90 H new ATOM 0 HD21 LEU A 101 -4.588 -7.773 1.001 1.00 1.63 H new ATOM 0 HD22 LEU A 101 -4.415 -9.335 0.164 1.00 1.63 H new ATOM 0 HD23 LEU A 101 -5.565 -9.170 1.513 1.00 1.63 H new ATOM 1585 N ASP A 102 -4.584 -13.799 2.489 1.00 0.50 N ATOM 1586 CA ASP A 102 -4.375 -15.159 2.975 1.00 0.57 C ATOM 1587 C ASP A 102 -3.025 -15.693 2.512 1.00 0.54 C ATOM 1588 O ASP A 102 -2.720 -15.681 1.319 1.00 0.53 O ATOM 1589 CB ASP A 102 -5.496 -16.075 2.485 1.00 0.65 C ATOM 1590 CG ASP A 102 -5.719 -17.259 3.406 1.00 1.31 C ATOM 1591 OD1 ASP A 102 -4.723 -17.782 3.951 1.00 1.38 O ATOM 1592 OD2 ASP A 102 -6.887 -17.663 3.585 1.00 2.34 O ATOM 0 H ASP A 102 -4.696 -13.726 1.478 1.00 0.50 H new ATOM 0 HA ASP A 102 -4.386 -15.139 4.065 1.00 0.57 H new ATOM 0 HB2 ASP A 102 -6.420 -15.502 2.404 1.00 0.65 H new ATOM 0 HB3 ASP A 102 -5.256 -16.436 1.485 1.00 0.65 H new ATOM 1597 N VAL A 103 -2.218 -16.156 3.459 1.00 0.63 N ATOM 1598 CA VAL A 103 -0.899 -16.688 3.139 1.00 0.68 C ATOM 1599 C VAL A 103 -1.001 -18.099 2.572 1.00 0.66 C ATOM 1600 O VAL A 103 -1.787 -18.917 3.052 1.00 0.75 O ATOM 1601 CB VAL A 103 0.018 -16.709 4.377 1.00 0.89 C ATOM 1602 CG1 VAL A 103 1.441 -17.072 3.984 1.00 1.56 C ATOM 1603 CG2 VAL A 103 -0.020 -15.365 5.091 1.00 1.60 C ATOM 0 H VAL A 103 -2.453 -16.174 4.451 1.00 0.63 H new ATOM 0 HA VAL A 103 -0.465 -16.026 2.389 1.00 0.68 H new ATOM 0 HB VAL A 103 -0.348 -17.471 5.064 1.00 0.89 H new ATOM 0 HG11 VAL A 103 2.073 -17.081 4.872 1.00 1.56 H new ATOM 0 HG12 VAL A 103 1.450 -18.059 3.522 1.00 1.56 H new ATOM 0 HG13 VAL A 103 1.822 -16.336 3.276 1.00 1.56 H new ATOM 0 HG21 VAL A 103 0.633 -15.398 5.963 1.00 1.60 H new ATOM 0 HG22 VAL A 103 0.320 -14.583 4.412 1.00 1.60 H new ATOM 0 HG23 VAL A 103 -1.040 -15.151 5.410 1.00 1.60 H new ATOM 1613 N VAL A 104 -0.201 -18.378 1.548 1.00 0.66 N ATOM 1614 CA VAL A 104 -0.202 -19.689 0.915 1.00 0.73 C ATOM 1615 C VAL A 104 1.190 -20.307 0.932 1.00 0.83 C ATOM 1616 O VAL A 104 2.113 -19.805 0.287 1.00 0.84 O ATOM 1617 CB VAL A 104 -0.696 -19.608 -0.541 1.00 0.86 C ATOM 1618 CG1 VAL A 104 -1.052 -20.991 -1.062 1.00 1.44 C ATOM 1619 CG2 VAL A 104 -1.887 -18.668 -0.648 1.00 1.27 C ATOM 0 H VAL A 104 0.456 -17.713 1.140 1.00 0.66 H new ATOM 0 HA VAL A 104 -0.883 -20.317 1.489 1.00 0.73 H new ATOM 0 HB VAL A 104 0.110 -19.209 -1.157 1.00 0.86 H new ATOM 0 HG11 VAL A 104 -1.399 -20.913 -2.092 1.00 1.44 H new ATOM 0 HG12 VAL A 104 -0.171 -21.632 -1.023 1.00 1.44 H new ATOM 0 HG13 VAL A 104 -1.841 -21.420 -0.445 1.00 1.44 H new ATOM 0 HG21 VAL A 104 -2.223 -18.623 -1.684 1.00 1.27 H new ATOM 0 HG22 VAL A 104 -2.698 -19.035 -0.019 1.00 1.27 H new ATOM 0 HG23 VAL A 104 -1.595 -17.671 -0.318 1.00 1.27 H new