USER MOD reduce.3.24.130724 H: found=0, std=0, add=1010, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1009 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 135 GLN : amide:sc= 0.653 K(o=1.9,f=-7!) USER MOD Set 1.2: A 136 LYS NZ :NH3+ -159:sc= 1.4 (180deg=-0.184) USER MOD Set 1.3: A 139 GLN : amide:sc= -0.132 K(o=1.9,f=-0.34) USER MOD Set 2.1: A 103 GLN : amide:sc= -1.27! C(o=-1.3!,f=-4.1!) USER MOD Set 2.2: A 106 ASN : amide:sc=-0.00372 X(o=-1.3,f=-1.3) USER MOD Set 3.1: A 97 SER OG : rot 118:sc= 0.829 USER MOD Set 3.2: A 99 SER OG : rot 82:sc= 1.14 USER MOD Set 4.1: A 38 GLN : amide:sc= -0.785 X(o=-0.73,f=-0.54) USER MOD Set 4.2: A 42 MET CE :methyl -115:sc= -0.71 (180deg=-2.49!) USER MOD Set 4.3: A 95 TYR OH : rot 70:sc= 0.681 USER MOD Set 4.4: A 101 CYS SG : rot 28:sc= 1.43 USER MOD Set 4.5: A 102 MET CE :methyl 174:sc= -0.721 (180deg=-0.267) USER MOD Set 4.6: A 140 MET CE :methyl -151:sc= -0.627 (180deg=-0.523) USER MOD Set 4.7: A 142 GLN : amide:sc= 0 X(o=-0.73,f=-0.54) USER MOD Set 5.1: A 31 LYS NZ :NH3+ -154:sc= 1.17 (180deg=0) USER MOD Set 5.2: A 94 TYR OH : rot 180:sc= 1.01 USER MOD Set 6.1: A 73 TYR OH : rot -103:sc= 0.879 USER MOD Set 6.2: A 111 ASN : amide:sc= -0.0751 K(o=0.8,f=-1.5!) USER MOD Set 7.1: A 35 LYS NZ :NH3+ 162:sc= 0.0995 (180deg=0) USER MOD Set 7.2: A 40 GLN : amide:sc= -0.631 K(o=-0.53,f=-2.1) USER MOD Set 8.1: A 28 ASN : amide:sc= 0.0859 K(o=0.086,f=-9.1!) USER MOD Set 8.2: A 30 SER OG : rot 180:sc= 0 USER MOD Set 9.1: A 27 SER OG : rot -6:sc= 1.66 USER MOD Set 9.2: A 92 ASN : amide:sc= 0.647 K(o=2.3,f=0.57) USER MOD Single : A 36 THR OG1 : rot 156:sc= 1.43 USER MOD Single : A 37 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 41 TYR OH : rot 75:sc= 1.22 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 ASN : amide:sc= 0.0355 X(o=0.036,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 109:sc= 1.21 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -4.12! C(o=-4.1!,f=-6.3!) USER MOD Single : A 54 GLN : amide:sc= -0.292 X(o=-0.29,f=-0.27) USER MOD Single : A 60 TYR OH : rot -62:sc= 1.25 USER MOD Single : A 61 GLN : amide:sc= -0.801 X(o=-0.8,f=-1.2) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.0328 K(o=-0.033,f=-2.2!) USER MOD Single : A 74 HIS : no HE2:sc= -1.36 K(o=-1.4,f=-3.9!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -117:sc= 0.0916 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 MET CE :methyl -168:sc= -0.769 (180deg=-1.13) USER MOD Single : A 83 MET CE :methyl -143:sc= -0.157 (180deg=-1.2) USER MOD Single : A 85 THR OG1 : rot 63:sc= 1.23 USER MOD Single : A 87 LYS NZ :NH3+ -132:sc= 1.3 (180deg=-0.482) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= 0.281 K(o=0.28,f=-2.9!) USER MOD Single : A 107 THR OG1 : rot 82:sc= 1.31 USER MOD Single : A 108 MET CE :methyl 141:sc= -0.0999 (180deg=-1.48) USER MOD Single : A 110 THR OG1 : rot 180:sc= -0.17 USER MOD Single : A 112 CYS SG : rot 170:sc= 0 USER MOD Single : A 113 TYR OH : rot -155:sc= 0.0554 USER MOD Single : A 115 TYR OH : rot 180:sc= -0.0175 USER MOD Single : A 116 ASN : amide:sc= -0.233 X(o=-0.23,f=-0.13) USER MOD Single : A 117 LYS NZ :NH3+ -177:sc= 1.19 (180deg=1.07) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0.0709 USER MOD Single : A 125 MET CE :methyl 180:sc= -0.0175 (180deg=-0.0175) USER MOD Single : A 127 GLN : amide:sc= -0.977 K(o=-0.98,f=-0.36) USER MOD Single : A 131 LYS NZ :NH3+ 150:sc= 1.29 (180deg=1.22) USER MOD ----------------------------------------------------------------- ATOM 68 N VAL A 26 5.127 -12.209 1.241 1.00 0.93 N ATOM 69 CA VAL A 26 5.648 -11.140 2.076 1.00 0.84 C ATOM 70 C VAL A 26 7.164 -11.248 2.182 1.00 0.83 C ATOM 71 O VAL A 26 7.850 -10.281 2.513 1.00 0.85 O ATOM 72 CB VAL A 26 5.010 -11.158 3.486 1.00 0.83 C ATOM 73 CG1 VAL A 26 5.581 -12.282 4.342 1.00 0.93 C ATOM 74 CG2 VAL A 26 5.188 -9.812 4.172 1.00 0.83 C ATOM 0 HA VAL A 26 5.388 -10.192 1.606 1.00 0.84 H new ATOM 0 HB VAL A 26 3.943 -11.346 3.366 1.00 0.83 H new ATOM 0 HG11 VAL A 26 5.111 -12.265 5.325 1.00 0.93 H new ATOM 0 HG12 VAL A 26 5.384 -13.241 3.862 1.00 0.93 H new ATOM 0 HG13 VAL A 26 6.657 -12.145 4.452 1.00 0.93 H new ATOM 0 HG21 VAL A 26 4.733 -9.845 5.162 1.00 0.83 H new ATOM 0 HG22 VAL A 26 6.251 -9.591 4.269 1.00 0.83 H new ATOM 0 HG23 VAL A 26 4.708 -9.034 3.578 1.00 0.83 H new ATOM 84 N SER A 27 7.677 -12.429 1.864 1.00 0.91 N ATOM 85 CA SER A 27 9.099 -12.713 1.940 1.00 1.00 C ATOM 86 C SER A 27 9.392 -14.018 1.214 1.00 1.07 C ATOM 87 O SER A 27 8.589 -14.952 1.258 1.00 1.19 O ATOM 88 CB SER A 27 9.562 -12.821 3.400 1.00 1.15 C ATOM 89 OG SER A 27 9.459 -11.577 4.075 1.00 1.61 O ATOM 0 H SER A 27 7.115 -13.218 1.545 1.00 0.91 H new ATOM 0 HA SER A 27 9.642 -11.894 1.469 1.00 1.00 H new ATOM 0 HB2 SER A 27 8.961 -13.568 3.919 1.00 1.15 H new ATOM 0 HB3 SER A 27 10.595 -13.167 3.430 1.00 1.15 H new ATOM 0 HG SER A 27 9.208 -10.878 3.436 1.00 1.61 H new ATOM 95 N ASN A 28 10.520 -14.070 0.533 1.00 1.07 N ATOM 96 CA ASN A 28 10.931 -15.273 -0.175 1.00 1.18 C ATOM 97 C ASN A 28 12.450 -15.400 -0.132 1.00 1.23 C ATOM 98 O ASN A 28 13.164 -14.465 -0.479 1.00 1.12 O ATOM 99 CB ASN A 28 10.426 -15.231 -1.626 1.00 1.19 C ATOM 100 CG ASN A 28 10.707 -16.506 -2.406 1.00 1.39 C ATOM 101 OD1 ASN A 28 11.830 -16.999 -2.440 1.00 1.60 O ATOM 102 ND2 ASN A 28 9.690 -17.038 -3.062 1.00 1.48 N ATOM 0 H ASN A 28 11.173 -13.291 0.453 1.00 1.07 H new ATOM 0 HA ASN A 28 10.495 -16.146 0.311 1.00 1.18 H new ATOM 0 HB2 ASN A 28 9.352 -15.046 -1.623 1.00 1.19 H new ATOM 0 HB3 ASN A 28 10.892 -14.390 -2.140 1.00 1.19 H new ATOM 0 HD21 ASN A 28 9.827 -17.883 -3.617 1.00 1.48 H new ATOM 0 HD22 ASN A 28 8.768 -16.604 -3.013 1.00 1.48 H new ATOM 109 N PRO A 29 12.961 -16.563 0.298 1.00 1.46 N ATOM 110 CA PRO A 29 14.412 -16.809 0.434 1.00 1.60 C ATOM 111 C PRO A 29 15.151 -16.744 -0.902 1.00 1.54 C ATOM 112 O PRO A 29 16.291 -16.281 -0.981 1.00 1.54 O ATOM 113 CB PRO A 29 14.459 -18.236 0.984 1.00 1.87 C ATOM 114 CG PRO A 29 13.188 -18.841 0.510 1.00 1.86 C ATOM 115 CD PRO A 29 12.175 -17.755 0.668 1.00 1.65 C ATOM 0 HA PRO A 29 14.896 -16.060 1.062 1.00 1.60 H new ATOM 0 HB2 PRO A 29 15.325 -18.781 0.609 1.00 1.87 H new ATOM 0 HB3 PRO A 29 14.524 -18.243 2.072 1.00 1.87 H new ATOM 0 HG2 PRO A 29 13.265 -19.164 -0.528 1.00 1.86 H new ATOM 0 HG3 PRO A 29 12.923 -19.720 1.098 1.00 1.86 H new ATOM 0 HD2 PRO A 29 11.315 -17.898 0.014 1.00 1.65 H new ATOM 0 HD3 PRO A 29 11.794 -17.695 1.687 1.00 1.65 H new ATOM 123 N SER A 30 14.489 -17.217 -1.944 1.00 1.57 N ATOM 124 CA SER A 30 15.052 -17.260 -3.275 1.00 1.63 C ATOM 125 C SER A 30 14.948 -15.890 -3.939 1.00 1.47 C ATOM 126 O SER A 30 15.653 -15.585 -4.903 1.00 1.58 O ATOM 127 CB SER A 30 14.281 -18.294 -4.080 1.00 1.81 C ATOM 128 OG SER A 30 13.948 -19.414 -3.273 1.00 2.18 O ATOM 0 H SER A 30 13.539 -17.584 -1.886 1.00 1.57 H new ATOM 0 HA SER A 30 16.107 -17.531 -3.227 1.00 1.63 H new ATOM 0 HB2 SER A 30 13.372 -17.846 -4.481 1.00 1.81 H new ATOM 0 HB3 SER A 30 14.879 -18.618 -4.932 1.00 1.81 H new ATOM 0 HG SER A 30 13.451 -20.067 -3.809 1.00 2.18 H new ATOM 134 N LYS A 31 14.053 -15.076 -3.408 1.00 1.28 N ATOM 135 CA LYS A 31 13.832 -13.725 -3.908 1.00 1.14 C ATOM 136 C LYS A 31 14.735 -12.738 -3.178 1.00 1.01 C ATOM 137 O LYS A 31 14.796 -12.737 -1.948 1.00 1.03 O ATOM 138 CB LYS A 31 12.365 -13.335 -3.717 1.00 1.14 C ATOM 139 CG LYS A 31 11.888 -12.230 -4.640 1.00 1.18 C ATOM 140 CD LYS A 31 10.552 -11.678 -4.174 1.00 1.26 C ATOM 141 CE LYS A 31 9.799 -10.989 -5.300 1.00 1.93 C ATOM 142 NZ LYS A 31 8.811 -11.896 -5.945 1.00 2.75 N ATOM 0 H LYS A 31 13.458 -15.330 -2.619 1.00 1.28 H new ATOM 0 HA LYS A 31 14.073 -13.698 -4.971 1.00 1.14 H new ATOM 0 HB2 LYS A 31 11.743 -14.217 -3.873 1.00 1.14 H new ATOM 0 HB3 LYS A 31 12.217 -13.019 -2.684 1.00 1.14 H new ATOM 0 HG2 LYS A 31 12.627 -11.430 -4.669 1.00 1.18 H new ATOM 0 HG3 LYS A 31 11.794 -12.614 -5.656 1.00 1.18 H new ATOM 0 HD2 LYS A 31 9.944 -12.489 -3.774 1.00 1.26 H new ATOM 0 HD3 LYS A 31 10.715 -10.971 -3.361 1.00 1.26 H new ATOM 0 HE2 LYS A 31 9.284 -10.112 -4.909 1.00 1.93 H new ATOM 0 HE3 LYS A 31 10.509 -10.635 -6.048 1.00 1.93 H new ATOM 0 HZ1 LYS A 31 8.646 -11.589 -6.925 1.00 2.75 H new ATOM 0 HZ2 LYS A 31 9.180 -12.868 -5.944 1.00 2.75 H new ATOM 0 HZ3 LYS A 31 7.915 -11.865 -5.417 1.00 2.75 H new ATOM 156 N PRO A 32 15.468 -11.903 -3.921 1.00 0.99 N ATOM 157 CA PRO A 32 16.360 -10.915 -3.321 1.00 0.97 C ATOM 158 C PRO A 32 15.597 -9.804 -2.610 1.00 0.85 C ATOM 159 O PRO A 32 14.609 -9.274 -3.124 1.00 0.89 O ATOM 160 CB PRO A 32 17.148 -10.359 -4.505 1.00 1.14 C ATOM 161 CG PRO A 32 16.307 -10.633 -5.705 1.00 1.38 C ATOM 162 CD PRO A 32 15.495 -11.864 -5.392 1.00 1.13 C ATOM 0 HA PRO A 32 16.995 -11.359 -2.554 1.00 0.97 H new ATOM 0 HB2 PRO A 32 17.330 -9.291 -4.389 1.00 1.14 H new ATOM 0 HB3 PRO A 32 18.122 -10.841 -4.590 1.00 1.14 H new ATOM 0 HG2 PRO A 32 15.657 -9.786 -5.924 1.00 1.38 H new ATOM 0 HG3 PRO A 32 16.929 -10.793 -6.585 1.00 1.38 H new ATOM 0 HD2 PRO A 32 14.490 -11.797 -5.809 1.00 1.13 H new ATOM 0 HD3 PRO A 32 15.953 -12.762 -5.808 1.00 1.13 H new ATOM 170 N GLY A 33 16.068 -9.465 -1.425 1.00 0.83 N ATOM 171 CA GLY A 33 15.431 -8.445 -0.622 1.00 0.79 C ATOM 172 C GLY A 33 16.451 -7.660 0.163 1.00 0.76 C ATOM 173 O GLY A 33 16.755 -7.986 1.312 1.00 0.97 O ATOM 0 H GLY A 33 16.894 -9.885 -0.998 1.00 0.83 H new ATOM 0 HA2 GLY A 33 14.865 -7.771 -1.265 1.00 0.79 H new ATOM 0 HA3 GLY A 33 14.718 -8.907 0.061 1.00 0.79 H new ATOM 177 N ARG A 34 17.002 -6.636 -0.464 1.00 0.81 N ATOM 178 CA ARG A 34 18.056 -5.850 0.149 1.00 0.79 C ATOM 179 C ARG A 34 17.485 -4.587 0.770 1.00 0.79 C ATOM 180 O ARG A 34 16.360 -4.195 0.478 1.00 0.97 O ATOM 181 CB ARG A 34 19.130 -5.497 -0.881 1.00 0.82 C ATOM 182 CG ARG A 34 19.693 -6.710 -1.599 1.00 1.24 C ATOM 183 CD ARG A 34 21.084 -7.049 -1.097 1.00 1.04 C ATOM 184 NE ARG A 34 22.109 -6.220 -1.726 1.00 0.98 N ATOM 185 CZ ARG A 34 23.359 -6.621 -1.957 1.00 1.43 C ATOM 186 NH1 ARG A 34 23.753 -7.842 -1.603 1.00 1.93 N ATOM 187 NH2 ARG A 34 24.216 -5.794 -2.536 1.00 1.56 N ATOM 0 H ARG A 34 16.736 -6.329 -1.400 1.00 0.81 H new ATOM 0 HA ARG A 34 18.515 -6.447 0.937 1.00 0.79 H new ATOM 0 HB2 ARG A 34 18.708 -4.812 -1.616 1.00 0.82 H new ATOM 0 HB3 ARG A 34 19.943 -4.969 -0.382 1.00 0.82 H new ATOM 0 HG2 ARG A 34 19.032 -7.564 -1.450 1.00 1.24 H new ATOM 0 HG3 ARG A 34 19.728 -6.517 -2.671 1.00 1.24 H new ATOM 0 HD2 ARG A 34 21.122 -6.915 -0.016 1.00 1.04 H new ATOM 0 HD3 ARG A 34 21.295 -8.100 -1.296 1.00 1.04 H new ATOM 0 HE ARG A 34 21.852 -5.274 -2.006 1.00 0.98 H new ATOM 0 HH11 ARG A 34 23.097 -8.479 -1.151 1.00 1.93 H new ATOM 0 HH12 ARG A 34 24.711 -8.141 -1.783 1.00 1.93 H new ATOM 0 HH21 ARG A 34 23.918 -4.856 -2.803 1.00 1.56 H new ATOM 0 HH22 ARG A 34 25.174 -6.095 -2.715 1.00 1.56 H new ATOM 201 N LYS A 35 18.260 -3.966 1.638 1.00 0.80 N ATOM 202 CA LYS A 35 17.840 -2.734 2.282 1.00 0.82 C ATOM 203 C LYS A 35 18.572 -1.549 1.672 1.00 0.77 C ATOM 204 O LYS A 35 19.774 -1.389 1.865 1.00 0.93 O ATOM 205 CB LYS A 35 18.118 -2.796 3.783 1.00 0.87 C ATOM 206 CG LYS A 35 16.985 -3.407 4.595 1.00 1.42 C ATOM 207 CD LYS A 35 16.674 -2.582 5.833 1.00 1.71 C ATOM 208 CE LYS A 35 17.913 -2.375 6.686 1.00 1.85 C ATOM 209 NZ LYS A 35 17.578 -2.221 8.123 1.00 2.64 N ATOM 0 H LYS A 35 19.185 -4.294 1.915 1.00 0.80 H new ATOM 0 HA LYS A 35 16.768 -2.611 2.127 1.00 0.82 H new ATOM 0 HB2 LYS A 35 19.026 -3.376 3.951 1.00 0.87 H new ATOM 0 HB3 LYS A 35 18.311 -1.788 4.149 1.00 0.87 H new ATOM 0 HG2 LYS A 35 16.092 -3.483 3.974 1.00 1.42 H new ATOM 0 HG3 LYS A 35 17.255 -4.421 4.891 1.00 1.42 H new ATOM 0 HD2 LYS A 35 16.270 -1.615 5.535 1.00 1.71 H new ATOM 0 HD3 LYS A 35 15.905 -3.082 6.421 1.00 1.71 H new ATOM 0 HE2 LYS A 35 18.586 -3.223 6.559 1.00 1.85 H new ATOM 0 HE3 LYS A 35 18.447 -1.490 6.341 1.00 1.85 H new ATOM 0 HZ1 LYS A 35 18.429 -2.387 8.698 1.00 2.64 H new ATOM 0 HZ2 LYS A 35 17.225 -1.258 8.296 1.00 2.64 H new ATOM 0 HZ3 LYS A 35 16.844 -2.910 8.384 1.00 2.64 H new ATOM 223 N THR A 36 17.857 -0.735 0.918 1.00 0.59 N ATOM 224 CA THR A 36 18.442 0.468 0.357 1.00 0.54 C ATOM 225 C THR A 36 17.833 1.716 0.992 1.00 0.46 C ATOM 226 O THR A 36 16.811 1.642 1.683 1.00 0.46 O ATOM 227 CB THR A 36 18.274 0.545 -1.175 1.00 0.56 C ATOM 228 OG1 THR A 36 17.034 1.191 -1.509 1.00 0.54 O ATOM 229 CG2 THR A 36 18.315 -0.840 -1.807 1.00 0.68 C ATOM 0 H THR A 36 16.876 -0.884 0.681 1.00 0.59 H new ATOM 0 HA THR A 36 19.508 0.424 0.580 1.00 0.54 H new ATOM 0 HB THR A 36 19.106 1.128 -1.570 1.00 0.56 H new ATOM 0 HG1 THR A 36 17.097 1.576 -2.408 1.00 0.54 H new ATOM 0 HG21 THR A 36 18.194 -0.751 -2.887 1.00 0.68 H new ATOM 0 HG22 THR A 36 19.272 -1.312 -1.587 1.00 0.68 H new ATOM 0 HG23 THR A 36 17.508 -1.450 -1.400 1.00 0.68 H new ATOM 237 N ASN A 37 18.472 2.857 0.759 1.00 0.42 N ATOM 238 CA ASN A 37 17.990 4.136 1.267 1.00 0.40 C ATOM 239 C ASN A 37 16.596 4.440 0.737 1.00 0.33 C ATOM 240 O ASN A 37 15.766 4.974 1.461 1.00 0.33 O ATOM 241 CB ASN A 37 18.947 5.266 0.876 1.00 0.48 C ATOM 242 CG ASN A 37 18.590 6.597 1.522 1.00 0.72 C ATOM 243 OD1 ASN A 37 17.985 6.641 2.595 1.00 1.47 O ATOM 244 ND2 ASN A 37 18.970 7.695 0.880 1.00 0.78 N ATOM 0 H ASN A 37 19.333 2.922 0.216 1.00 0.42 H new ATOM 0 HA ASN A 37 17.945 4.067 2.354 1.00 0.40 H new ATOM 0 HB2 ASN A 37 19.962 4.990 1.162 1.00 0.48 H new ATOM 0 HB3 ASN A 37 18.941 5.381 -0.208 1.00 0.48 H new ATOM 0 HD21 ASN A 37 18.763 8.613 1.273 1.00 0.78 H new ATOM 0 HD22 ASN A 37 19.469 7.621 -0.006 1.00 0.78 H new ATOM 251 N GLN A 38 16.337 4.082 -0.520 1.00 0.33 N ATOM 252 CA GLN A 38 15.046 4.365 -1.139 1.00 0.31 C ATOM 253 C GLN A 38 13.961 3.478 -0.536 1.00 0.26 C ATOM 254 O GLN A 38 12.834 3.921 -0.315 1.00 0.25 O ATOM 255 CB GLN A 38 15.112 4.178 -2.661 1.00 0.36 C ATOM 256 CG GLN A 38 14.500 5.338 -3.438 1.00 0.46 C ATOM 257 CD GLN A 38 14.520 5.125 -4.942 1.00 0.59 C ATOM 258 OE1 GLN A 38 13.473 5.036 -5.582 1.00 1.04 O ATOM 259 NE2 GLN A 38 15.708 5.064 -5.521 1.00 0.55 N ATOM 0 H GLN A 38 17.000 3.598 -1.125 1.00 0.33 H new ATOM 0 HA GLN A 38 14.795 5.407 -0.939 1.00 0.31 H new ATOM 0 HB2 GLN A 38 16.153 4.058 -2.961 1.00 0.36 H new ATOM 0 HB3 GLN A 38 14.595 3.257 -2.930 1.00 0.36 H new ATOM 0 HG2 GLN A 38 13.470 5.483 -3.111 1.00 0.46 H new ATOM 0 HG3 GLN A 38 15.042 6.253 -3.200 1.00 0.46 H new ATOM 0 HE21 GLN A 38 16.555 5.142 -4.957 1.00 0.55 H new ATOM 0 HE22 GLN A 38 15.777 4.939 -6.531 1.00 0.55 H new ATOM 268 N LEU A 39 14.320 2.232 -0.242 1.00 0.28 N ATOM 269 CA LEU A 39 13.390 1.291 0.368 1.00 0.31 C ATOM 270 C LEU A 39 12.963 1.779 1.750 1.00 0.29 C ATOM 271 O LEU A 39 11.771 1.904 2.039 1.00 0.30 O ATOM 272 CB LEU A 39 14.031 -0.094 0.480 1.00 0.38 C ATOM 273 CG LEU A 39 13.218 -1.117 1.274 1.00 0.45 C ATOM 274 CD1 LEU A 39 12.584 -2.137 0.341 1.00 0.63 C ATOM 275 CD2 LEU A 39 14.092 -1.809 2.307 1.00 0.80 C ATOM 0 H LEU A 39 15.250 1.851 -0.417 1.00 0.28 H new ATOM 0 HA LEU A 39 12.507 1.222 -0.268 1.00 0.31 H new ATOM 0 HB2 LEU A 39 14.197 -0.484 -0.524 1.00 0.38 H new ATOM 0 HB3 LEU A 39 15.010 0.012 0.947 1.00 0.38 H new ATOM 0 HG LEU A 39 12.421 -0.589 1.797 1.00 0.45 H new ATOM 0 HD11 LEU A 39 12.010 -2.856 0.925 1.00 0.63 H new ATOM 0 HD12 LEU A 39 11.922 -1.627 -0.360 1.00 0.63 H new ATOM 0 HD13 LEU A 39 13.365 -2.659 -0.212 1.00 0.63 H new ATOM 0 HD21 LEU A 39 13.496 -2.533 2.862 1.00 0.80 H new ATOM 0 HD22 LEU A 39 14.912 -2.323 1.805 1.00 0.80 H new ATOM 0 HD23 LEU A 39 14.497 -1.068 2.996 1.00 0.80 H new ATOM 287 N GLN A 40 13.945 2.073 2.595 1.00 0.29 N ATOM 288 CA GLN A 40 13.672 2.547 3.946 1.00 0.30 C ATOM 289 C GLN A 40 13.082 3.954 3.918 1.00 0.26 C ATOM 290 O GLN A 40 12.424 4.383 4.870 1.00 0.28 O ATOM 291 CB GLN A 40 14.947 2.522 4.789 1.00 0.36 C ATOM 292 CG GLN A 40 15.133 1.223 5.559 1.00 0.42 C ATOM 293 CD GLN A 40 15.953 1.393 6.824 1.00 0.72 C ATOM 294 OE1 GLN A 40 16.840 0.589 7.112 1.00 1.75 O ATOM 295 NE2 GLN A 40 15.664 2.433 7.591 1.00 0.83 N ATOM 0 H GLN A 40 14.936 1.991 2.368 1.00 0.29 H new ATOM 0 HA GLN A 40 12.941 1.878 4.400 1.00 0.30 H new ATOM 0 HB2 GLN A 40 15.808 2.677 4.138 1.00 0.36 H new ATOM 0 HB3 GLN A 40 14.925 3.354 5.493 1.00 0.36 H new ATOM 0 HG2 GLN A 40 14.155 0.818 5.819 1.00 0.42 H new ATOM 0 HG3 GLN A 40 15.619 0.491 4.914 1.00 0.42 H new ATOM 0 HE21 GLN A 40 14.922 3.077 7.318 1.00 0.83 H new ATOM 0 HE22 GLN A 40 16.184 2.590 8.455 1.00 0.83 H new ATOM 304 N TYR A 41 13.318 4.663 2.819 1.00 0.25 N ATOM 305 CA TYR A 41 12.792 6.000 2.634 1.00 0.24 C ATOM 306 C TYR A 41 11.275 5.981 2.575 1.00 0.22 C ATOM 307 O TYR A 41 10.615 6.532 3.443 1.00 0.23 O ATOM 308 CB TYR A 41 13.351 6.601 1.346 1.00 0.24 C ATOM 309 CG TYR A 41 13.022 8.058 1.161 1.00 0.31 C ATOM 310 CD1 TYR A 41 13.862 9.043 1.651 1.00 0.42 C ATOM 311 CD2 TYR A 41 11.870 8.443 0.496 1.00 0.32 C ATOM 312 CE1 TYR A 41 13.561 10.378 1.483 1.00 0.52 C ATOM 313 CE2 TYR A 41 11.556 9.771 0.323 1.00 0.44 C ATOM 314 CZ TYR A 41 12.408 10.739 0.819 1.00 0.53 C ATOM 315 OH TYR A 41 12.102 12.072 0.658 1.00 0.64 O ATOM 0 H TYR A 41 13.878 4.323 2.037 1.00 0.25 H new ATOM 0 HA TYR A 41 13.096 6.611 3.484 1.00 0.24 H new ATOM 0 HB2 TYR A 41 14.434 6.479 1.340 1.00 0.24 H new ATOM 0 HB3 TYR A 41 12.962 6.040 0.496 1.00 0.24 H new ATOM 0 HD1 TYR A 41 14.765 8.762 2.172 1.00 0.42 H new ATOM 0 HD2 TYR A 41 11.206 7.686 0.106 1.00 0.32 H new ATOM 0 HE1 TYR A 41 14.225 11.137 1.870 1.00 0.52 H new ATOM 0 HE2 TYR A 41 10.652 10.054 -0.196 1.00 0.44 H new ATOM 0 HH TYR A 41 12.676 12.458 -0.036 1.00 0.64 H new ATOM 325 N MET A 42 10.730 5.318 1.565 1.00 0.20 N ATOM 326 CA MET A 42 9.294 5.322 1.333 1.00 0.20 C ATOM 327 C MET A 42 8.545 4.795 2.553 1.00 0.21 C ATOM 328 O MET A 42 7.430 5.231 2.844 1.00 0.22 O ATOM 329 CB MET A 42 8.969 4.478 0.094 1.00 0.23 C ATOM 330 CG MET A 42 7.500 4.106 -0.048 1.00 0.80 C ATOM 331 SD MET A 42 6.778 4.722 -1.585 1.00 1.07 S ATOM 332 CE MET A 42 7.261 3.426 -2.721 1.00 1.13 C ATOM 0 H MET A 42 11.264 4.769 0.891 1.00 0.20 H new ATOM 0 HA MET A 42 8.969 6.348 1.160 1.00 0.20 H new ATOM 0 HB2 MET A 42 9.280 5.026 -0.795 1.00 0.23 H new ATOM 0 HB3 MET A 42 9.561 3.563 0.127 1.00 0.23 H new ATOM 0 HG2 MET A 42 7.398 3.021 -0.011 1.00 0.80 H new ATOM 0 HG3 MET A 42 6.943 4.508 0.798 1.00 0.80 H new ATOM 0 HE1 MET A 42 7.949 3.830 -3.463 1.00 1.13 H new ATOM 0 HE2 MET A 42 7.752 2.624 -2.170 1.00 1.13 H new ATOM 0 HE3 MET A 42 6.376 3.034 -3.223 1.00 1.13 H new ATOM 342 N GLN A 43 9.181 3.879 3.273 1.00 0.24 N ATOM 343 CA GLN A 43 8.607 3.313 4.490 1.00 0.30 C ATOM 344 C GLN A 43 8.335 4.401 5.532 1.00 0.30 C ATOM 345 O GLN A 43 7.216 4.546 6.019 1.00 0.33 O ATOM 346 CB GLN A 43 9.554 2.260 5.071 1.00 0.42 C ATOM 347 CG GLN A 43 9.064 1.632 6.365 1.00 0.84 C ATOM 348 CD GLN A 43 10.134 0.797 7.032 1.00 0.76 C ATOM 349 OE1 GLN A 43 10.538 1.066 8.161 1.00 1.30 O ATOM 350 NE2 GLN A 43 10.609 -0.220 6.333 1.00 0.54 N ATOM 0 H GLN A 43 10.101 3.509 3.034 1.00 0.24 H new ATOM 0 HA GLN A 43 7.657 2.845 4.232 1.00 0.30 H new ATOM 0 HB2 GLN A 43 9.703 1.473 4.331 1.00 0.42 H new ATOM 0 HB3 GLN A 43 10.526 2.719 5.248 1.00 0.42 H new ATOM 0 HG2 GLN A 43 8.739 2.417 7.048 1.00 0.84 H new ATOM 0 HG3 GLN A 43 8.194 1.008 6.158 1.00 0.84 H new ATOM 0 HE21 GLN A 43 10.247 -0.410 5.399 1.00 0.54 H new ATOM 0 HE22 GLN A 43 11.338 -0.814 6.728 1.00 0.54 H new ATOM 359 N ASN A 44 9.360 5.161 5.871 1.00 0.30 N ATOM 360 CA ASN A 44 9.233 6.179 6.907 1.00 0.33 C ATOM 361 C ASN A 44 8.725 7.502 6.356 1.00 0.31 C ATOM 362 O ASN A 44 8.107 8.287 7.069 1.00 0.34 O ATOM 363 CB ASN A 44 10.574 6.405 7.600 1.00 0.37 C ATOM 364 CG ASN A 44 11.010 5.221 8.437 1.00 0.42 C ATOM 365 OD1 ASN A 44 10.417 4.926 9.476 1.00 0.50 O ATOM 366 ND2 ASN A 44 12.051 4.534 7.992 1.00 0.47 N ATOM 0 H ASN A 44 10.286 5.096 5.449 1.00 0.30 H new ATOM 0 HA ASN A 44 8.501 5.808 7.624 1.00 0.33 H new ATOM 0 HB2 ASN A 44 11.336 6.613 6.848 1.00 0.37 H new ATOM 0 HB3 ASN A 44 10.505 7.288 8.236 1.00 0.37 H new ATOM 0 HD21 ASN A 44 12.390 3.727 8.515 1.00 0.47 H new ATOM 0 HD22 ASN A 44 12.513 4.812 7.126 1.00 0.47 H new ATOM 373 N VAL A 45 9.021 7.766 5.103 1.00 0.27 N ATOM 374 CA VAL A 45 8.673 9.035 4.497 1.00 0.27 C ATOM 375 C VAL A 45 7.285 9.018 3.864 1.00 0.24 C ATOM 376 O VAL A 45 6.420 9.810 4.229 1.00 0.28 O ATOM 377 CB VAL A 45 9.705 9.426 3.430 1.00 0.26 C ATOM 378 CG1 VAL A 45 9.300 10.712 2.742 1.00 0.29 C ATOM 379 CG2 VAL A 45 11.088 9.548 4.048 1.00 0.30 C ATOM 0 H VAL A 45 9.503 7.118 4.481 1.00 0.27 H new ATOM 0 HA VAL A 45 8.670 9.770 5.301 1.00 0.27 H new ATOM 0 HB VAL A 45 9.740 8.640 2.676 1.00 0.26 H new ATOM 0 HG11 VAL A 45 10.044 10.972 1.989 1.00 0.29 H new ATOM 0 HG12 VAL A 45 8.330 10.578 2.262 1.00 0.29 H new ATOM 0 HG13 VAL A 45 9.233 11.513 3.478 1.00 0.29 H new ATOM 0 HG21 VAL A 45 11.807 9.826 3.278 1.00 0.30 H new ATOM 0 HG22 VAL A 45 11.074 10.313 4.824 1.00 0.30 H new ATOM 0 HG23 VAL A 45 11.376 8.592 4.486 1.00 0.30 H new ATOM 389 N VAL A 46 7.066 8.103 2.932 1.00 0.19 N ATOM 390 CA VAL A 46 5.863 8.138 2.114 1.00 0.19 C ATOM 391 C VAL A 46 4.670 7.525 2.838 1.00 0.19 C ATOM 392 O VAL A 46 3.713 8.227 3.175 1.00 0.19 O ATOM 393 CB VAL A 46 6.068 7.422 0.763 1.00 0.20 C ATOM 394 CG1 VAL A 46 4.837 7.581 -0.120 1.00 0.26 C ATOM 395 CG2 VAL A 46 7.308 7.957 0.055 1.00 0.22 C ATOM 0 H VAL A 46 7.701 7.332 2.724 1.00 0.19 H new ATOM 0 HA VAL A 46 5.654 9.191 1.923 1.00 0.19 H new ATOM 0 HB VAL A 46 6.216 6.360 0.957 1.00 0.20 H new ATOM 0 HG11 VAL A 46 5.001 7.069 -1.068 1.00 0.26 H new ATOM 0 HG12 VAL A 46 3.971 7.148 0.381 1.00 0.26 H new ATOM 0 HG13 VAL A 46 4.657 8.640 -0.306 1.00 0.26 H new ATOM 0 HG21 VAL A 46 7.436 7.440 -0.896 1.00 0.22 H new ATOM 0 HG22 VAL A 46 7.191 9.025 -0.126 1.00 0.22 H new ATOM 0 HG23 VAL A 46 8.185 7.789 0.680 1.00 0.22 H new ATOM 405 N VAL A 47 4.734 6.223 3.103 1.00 0.20 N ATOM 406 CA VAL A 47 3.590 5.518 3.681 1.00 0.23 C ATOM 407 C VAL A 47 3.311 5.979 5.115 1.00 0.23 C ATOM 408 O VAL A 47 2.157 6.056 5.531 1.00 0.25 O ATOM 409 CB VAL A 47 3.756 3.973 3.628 1.00 0.31 C ATOM 410 CG1 VAL A 47 5.103 3.539 4.160 1.00 0.70 C ATOM 411 CG2 VAL A 47 2.637 3.274 4.383 1.00 0.83 C ATOM 0 H VAL A 47 5.553 5.640 2.930 1.00 0.20 H new ATOM 0 HA VAL A 47 2.729 5.775 3.064 1.00 0.23 H new ATOM 0 HB VAL A 47 3.699 3.680 2.580 1.00 0.31 H new ATOM 0 HG11 VAL A 47 5.182 2.453 4.107 1.00 0.70 H new ATOM 0 HG12 VAL A 47 5.894 3.990 3.560 1.00 0.70 H new ATOM 0 HG13 VAL A 47 5.205 3.860 5.197 1.00 0.70 H new ATOM 0 HG21 VAL A 47 2.780 2.195 4.328 1.00 0.83 H new ATOM 0 HG22 VAL A 47 2.650 3.589 5.426 1.00 0.83 H new ATOM 0 HG23 VAL A 47 1.678 3.536 3.936 1.00 0.83 H new ATOM 421 N LYS A 48 4.357 6.312 5.862 1.00 0.26 N ATOM 422 CA LYS A 48 4.184 6.811 7.223 1.00 0.30 C ATOM 423 C LYS A 48 3.352 8.096 7.250 1.00 0.28 C ATOM 424 O LYS A 48 2.519 8.281 8.135 1.00 0.33 O ATOM 425 CB LYS A 48 5.541 7.052 7.879 1.00 0.36 C ATOM 426 CG LYS A 48 5.896 6.027 8.945 1.00 0.53 C ATOM 427 CD LYS A 48 5.197 6.321 10.264 1.00 1.25 C ATOM 428 CE LYS A 48 5.760 5.468 11.391 1.00 1.79 C ATOM 429 NZ LYS A 48 4.723 5.104 12.390 1.00 2.40 N ATOM 0 H LYS A 48 5.327 6.247 5.553 1.00 0.26 H new ATOM 0 HA LYS A 48 3.645 6.050 7.786 1.00 0.30 H new ATOM 0 HB2 LYS A 48 6.313 7.045 7.109 1.00 0.36 H new ATOM 0 HB3 LYS A 48 5.547 8.046 8.327 1.00 0.36 H new ATOM 0 HG2 LYS A 48 5.617 5.031 8.600 1.00 0.53 H new ATOM 0 HG3 LYS A 48 6.975 6.021 9.099 1.00 0.53 H new ATOM 0 HD2 LYS A 48 5.312 7.376 10.512 1.00 1.25 H new ATOM 0 HD3 LYS A 48 4.128 6.132 10.161 1.00 1.25 H new ATOM 0 HE2 LYS A 48 6.196 4.560 10.974 1.00 1.79 H new ATOM 0 HE3 LYS A 48 6.566 6.010 11.887 1.00 1.79 H new ATOM 0 HZ1 LYS A 48 5.151 4.523 13.139 1.00 2.40 H new ATOM 0 HZ2 LYS A 48 4.325 5.969 12.808 1.00 2.40 H new ATOM 0 HZ3 LYS A 48 3.966 4.564 11.924 1.00 2.40 H new ATOM 443 N THR A 49 3.575 8.978 6.279 1.00 0.23 N ATOM 444 CA THR A 49 2.813 10.219 6.199 1.00 0.24 C ATOM 445 C THR A 49 1.406 9.956 5.661 1.00 0.22 C ATOM 446 O THR A 49 0.439 10.578 6.101 1.00 0.24 O ATOM 447 CB THR A 49 3.532 11.273 5.329 1.00 0.28 C ATOM 448 OG1 THR A 49 4.918 11.330 5.688 1.00 0.55 O ATOM 449 CG2 THR A 49 2.906 12.649 5.513 1.00 0.52 C ATOM 0 H THR A 49 4.271 8.858 5.543 1.00 0.23 H new ATOM 0 HA THR A 49 2.733 10.619 7.210 1.00 0.24 H new ATOM 0 HB THR A 49 3.431 10.981 4.284 1.00 0.28 H new ATOM 0 HG1 THR A 49 5.458 10.935 4.972 1.00 0.55 H new ATOM 0 HG21 THR A 49 3.430 13.373 4.890 1.00 0.52 H new ATOM 0 HG22 THR A 49 1.856 12.613 5.223 1.00 0.52 H new ATOM 0 HG23 THR A 49 2.983 12.947 6.559 1.00 0.52 H new ATOM 457 N LEU A 50 1.298 9.015 4.725 1.00 0.20 N ATOM 458 CA LEU A 50 0.000 8.578 4.213 1.00 0.21 C ATOM 459 C LEU A 50 -0.841 8.017 5.362 1.00 0.20 C ATOM 460 O LEU A 50 -2.052 8.226 5.432 1.00 0.21 O ATOM 461 CB LEU A 50 0.195 7.502 3.128 1.00 0.24 C ATOM 462 CG LEU A 50 -0.673 7.635 1.862 1.00 0.27 C ATOM 463 CD1 LEU A 50 -0.899 6.271 1.229 1.00 0.33 C ATOM 464 CD2 LEU A 50 -2.007 8.295 2.177 1.00 0.29 C ATOM 0 H LEU A 50 2.096 8.539 4.304 1.00 0.20 H new ATOM 0 HA LEU A 50 -0.517 9.430 3.772 1.00 0.21 H new ATOM 0 HB2 LEU A 50 1.242 7.509 2.826 1.00 0.24 H new ATOM 0 HB3 LEU A 50 -0.001 6.528 3.575 1.00 0.24 H new ATOM 0 HG LEU A 50 -0.139 8.270 1.155 1.00 0.27 H new ATOM 0 HD11 LEU A 50 -1.514 6.382 0.336 1.00 0.33 H new ATOM 0 HD12 LEU A 50 0.061 5.833 0.957 1.00 0.33 H new ATOM 0 HD13 LEU A 50 -1.406 5.619 1.940 1.00 0.33 H new ATOM 0 HD21 LEU A 50 -2.598 8.375 1.264 1.00 0.29 H new ATOM 0 HD22 LEU A 50 -2.547 7.693 2.907 1.00 0.29 H new ATOM 0 HD23 LEU A 50 -1.833 9.291 2.585 1.00 0.29 H new ATOM 476 N TRP A 51 -0.164 7.323 6.266 1.00 0.22 N ATOM 477 CA TRP A 51 -0.792 6.700 7.424 1.00 0.24 C ATOM 478 C TRP A 51 -1.406 7.733 8.371 1.00 0.26 C ATOM 479 O TRP A 51 -2.366 7.446 9.080 1.00 0.29 O ATOM 480 CB TRP A 51 0.258 5.875 8.172 1.00 0.27 C ATOM 481 CG TRP A 51 -0.315 4.822 9.069 1.00 0.28 C ATOM 482 CD1 TRP A 51 -0.756 4.992 10.347 1.00 0.31 C ATOM 483 CD2 TRP A 51 -0.502 3.438 8.758 1.00 0.29 C ATOM 484 NE1 TRP A 51 -1.209 3.800 10.851 1.00 0.32 N ATOM 485 CE2 TRP A 51 -1.064 2.829 9.895 1.00 0.31 C ATOM 486 CE3 TRP A 51 -0.248 2.655 7.630 1.00 0.32 C ATOM 487 CZ2 TRP A 51 -1.377 1.471 9.935 1.00 0.35 C ATOM 488 CZ3 TRP A 51 -0.561 1.310 7.668 1.00 0.37 C ATOM 489 CH2 TRP A 51 -1.120 0.730 8.814 1.00 0.39 C ATOM 0 H TRP A 51 0.844 7.175 6.217 1.00 0.22 H new ATOM 0 HA TRP A 51 -1.602 6.062 7.070 1.00 0.24 H new ATOM 0 HB2 TRP A 51 0.915 5.399 7.445 1.00 0.27 H new ATOM 0 HB3 TRP A 51 0.876 6.547 8.768 1.00 0.27 H new ATOM 0 HD1 TRP A 51 -0.750 5.929 10.884 1.00 0.31 H new ATOM 0 HE1 TRP A 51 -1.592 3.659 11.786 1.00 0.32 H new ATOM 0 HE3 TRP A 51 0.186 3.093 6.743 1.00 0.32 H new ATOM 0 HZ2 TRP A 51 -1.806 1.021 10.818 1.00 0.35 H new ATOM 0 HZ3 TRP A 51 -0.372 0.696 6.800 1.00 0.37 H new ATOM 0 HH2 TRP A 51 -1.353 -0.325 8.813 1.00 0.39 H new ATOM 500 N LYS A 52 -0.859 8.938 8.375 1.00 0.27 N ATOM 501 CA LYS A 52 -1.284 9.954 9.331 1.00 0.29 C ATOM 502 C LYS A 52 -2.449 10.785 8.803 1.00 0.30 C ATOM 503 O LYS A 52 -2.925 11.702 9.478 1.00 0.45 O ATOM 504 CB LYS A 52 -0.115 10.857 9.694 1.00 0.33 C ATOM 505 CG LYS A 52 0.879 10.203 10.642 1.00 0.48 C ATOM 506 CD LYS A 52 2.302 10.657 10.358 1.00 1.13 C ATOM 507 CE LYS A 52 2.609 11.986 11.031 1.00 1.74 C ATOM 508 NZ LYS A 52 3.758 11.876 11.964 1.00 2.24 N ATOM 0 H LYS A 52 -0.125 9.237 7.733 1.00 0.27 H new ATOM 0 HA LYS A 52 -1.631 9.436 10.225 1.00 0.29 H new ATOM 0 HB2 LYS A 52 0.404 11.152 8.782 1.00 0.33 H new ATOM 0 HB3 LYS A 52 -0.498 11.769 10.153 1.00 0.33 H new ATOM 0 HG2 LYS A 52 0.617 10.448 11.671 1.00 0.48 H new ATOM 0 HG3 LYS A 52 0.816 9.119 10.546 1.00 0.48 H new ATOM 0 HD2 LYS A 52 3.003 9.900 10.709 1.00 1.13 H new ATOM 0 HD3 LYS A 52 2.447 10.751 9.282 1.00 1.13 H new ATOM 0 HE2 LYS A 52 2.827 12.737 10.271 1.00 1.74 H new ATOM 0 HE3 LYS A 52 1.730 12.330 11.576 1.00 1.74 H new ATOM 0 HZ1 LYS A 52 3.938 12.801 12.404 1.00 2.24 H new ATOM 0 HZ2 LYS A 52 3.539 11.178 12.703 1.00 2.24 H new ATOM 0 HZ3 LYS A 52 4.603 11.572 11.440 1.00 2.24 H new ATOM 522 N HIS A 53 -2.909 10.472 7.602 1.00 0.25 N ATOM 523 CA HIS A 53 -4.058 11.161 7.035 1.00 0.26 C ATOM 524 C HIS A 53 -5.339 10.645 7.675 1.00 0.31 C ATOM 525 O HIS A 53 -5.528 9.436 7.813 1.00 0.35 O ATOM 526 CB HIS A 53 -4.110 10.964 5.522 1.00 0.24 C ATOM 527 CG HIS A 53 -4.864 12.040 4.801 1.00 0.27 C ATOM 528 ND1 HIS A 53 -6.104 11.806 4.267 1.00 0.27 N ATOM 529 CD2 HIS A 53 -4.504 13.320 4.539 1.00 0.37 C ATOM 530 CE1 HIS A 53 -6.471 12.934 3.689 1.00 0.32 C ATOM 531 NE2 HIS A 53 -5.532 13.883 3.826 1.00 0.39 N ATOM 0 H HIS A 53 -2.508 9.750 7.004 1.00 0.25 H new ATOM 0 HA HIS A 53 -3.961 12.227 7.240 1.00 0.26 H new ATOM 0 HB2 HIS A 53 -3.092 10.924 5.134 1.00 0.24 H new ATOM 0 HB3 HIS A 53 -4.572 10.001 5.305 1.00 0.24 H new ATOM 0 HD2 HIS A 53 -3.585 13.804 4.835 1.00 0.37 H new ATOM 0 HE1 HIS A 53 -7.408 13.076 3.171 1.00 0.32 H new ATOM 0 HE2 HIS A 53 -5.574 14.838 3.469 1.00 0.39 H new ATOM 539 N GLN A 54 -6.220 11.560 8.051 1.00 0.42 N ATOM 540 CA GLN A 54 -7.437 11.201 8.769 1.00 0.54 C ATOM 541 C GLN A 54 -8.445 10.506 7.860 1.00 0.42 C ATOM 542 O GLN A 54 -9.412 9.919 8.332 1.00 0.47 O ATOM 543 CB GLN A 54 -8.067 12.447 9.397 1.00 0.79 C ATOM 544 CG GLN A 54 -7.244 13.036 10.533 1.00 1.09 C ATOM 545 CD GLN A 54 -6.898 12.013 11.597 1.00 1.24 C ATOM 546 OE1 GLN A 54 -7.700 11.733 12.491 1.00 1.91 O ATOM 547 NE2 GLN A 54 -5.708 11.443 11.508 1.00 1.21 N ATOM 0 H GLN A 54 -6.116 12.559 7.871 1.00 0.42 H new ATOM 0 HA GLN A 54 -7.161 10.500 9.556 1.00 0.54 H new ATOM 0 HB2 GLN A 54 -8.201 13.205 8.625 1.00 0.79 H new ATOM 0 HB3 GLN A 54 -9.059 12.194 9.771 1.00 0.79 H new ATOM 0 HG2 GLN A 54 -6.324 13.459 10.129 1.00 1.09 H new ATOM 0 HG3 GLN A 54 -7.798 13.856 10.990 1.00 1.09 H new ATOM 0 HE21 GLN A 54 -5.073 11.703 10.753 1.00 1.21 H new ATOM 0 HE22 GLN A 54 -5.425 10.744 12.195 1.00 1.21 H new ATOM 556 N PHE A 55 -8.219 10.572 6.555 1.00 0.36 N ATOM 557 CA PHE A 55 -9.101 9.917 5.597 1.00 0.31 C ATOM 558 C PHE A 55 -8.544 8.550 5.212 1.00 0.27 C ATOM 559 O PHE A 55 -9.156 7.806 4.448 1.00 0.29 O ATOM 560 CB PHE A 55 -9.276 10.785 4.348 1.00 0.36 C ATOM 561 CG PHE A 55 -10.386 11.797 4.452 1.00 0.45 C ATOM 562 CD1 PHE A 55 -10.663 12.430 5.655 1.00 0.62 C ATOM 563 CD2 PHE A 55 -11.152 12.116 3.343 1.00 0.73 C ATOM 564 CE1 PHE A 55 -11.682 13.358 5.747 1.00 0.76 C ATOM 565 CE2 PHE A 55 -12.173 13.044 3.429 1.00 0.93 C ATOM 566 CZ PHE A 55 -12.438 13.666 4.633 1.00 0.86 C ATOM 0 H PHE A 55 -7.435 11.071 6.136 1.00 0.36 H new ATOM 0 HA PHE A 55 -10.076 9.780 6.065 1.00 0.31 H new ATOM 0 HB2 PHE A 55 -8.340 11.307 4.148 1.00 0.36 H new ATOM 0 HB3 PHE A 55 -9.469 10.137 3.493 1.00 0.36 H new ATOM 0 HD1 PHE A 55 -10.075 12.194 6.530 1.00 0.62 H new ATOM 0 HD2 PHE A 55 -10.949 11.633 2.398 1.00 0.73 H new ATOM 0 HE1 PHE A 55 -11.888 13.843 6.690 1.00 0.76 H new ATOM 0 HE2 PHE A 55 -12.762 13.282 2.556 1.00 0.93 H new ATOM 0 HZ PHE A 55 -13.235 14.392 4.703 1.00 0.86 H new ATOM 576 N ALA A 56 -7.382 8.219 5.761 1.00 0.25 N ATOM 577 CA ALA A 56 -6.727 6.950 5.467 1.00 0.25 C ATOM 578 C ALA A 56 -7.037 5.932 6.553 1.00 0.26 C ATOM 579 O ALA A 56 -6.417 4.874 6.635 1.00 0.28 O ATOM 580 CB ALA A 56 -5.225 7.150 5.341 1.00 0.28 C ATOM 0 H ALA A 56 -6.872 8.814 6.414 1.00 0.25 H new ATOM 0 HA ALA A 56 -7.108 6.572 4.519 1.00 0.25 H new ATOM 0 HB1 ALA A 56 -4.748 6.195 5.121 1.00 0.28 H new ATOM 0 HB2 ALA A 56 -5.018 7.853 4.534 1.00 0.28 H new ATOM 0 HB3 ALA A 56 -4.831 7.546 6.277 1.00 0.28 H new ATOM 586 N TRP A 57 -8.027 6.252 7.370 1.00 0.30 N ATOM 587 CA TRP A 57 -8.367 5.427 8.525 1.00 0.34 C ATOM 588 C TRP A 57 -8.908 4.028 8.154 1.00 0.35 C ATOM 589 O TRP A 57 -8.638 3.069 8.881 1.00 0.40 O ATOM 590 CB TRP A 57 -9.322 6.169 9.479 1.00 0.37 C ATOM 591 CG TRP A 57 -10.704 6.412 8.944 1.00 0.38 C ATOM 592 CD1 TRP A 57 -11.108 7.459 8.170 1.00 0.41 C ATOM 593 CD2 TRP A 57 -11.868 5.605 9.166 1.00 0.42 C ATOM 594 NE1 TRP A 57 -12.448 7.349 7.888 1.00 0.45 N ATOM 595 CE2 TRP A 57 -12.936 6.218 8.486 1.00 0.46 C ATOM 596 CE3 TRP A 57 -12.107 4.420 9.867 1.00 0.46 C ATOM 597 CZ2 TRP A 57 -14.223 5.689 8.492 1.00 0.54 C ATOM 598 CZ3 TRP A 57 -13.385 3.895 9.871 1.00 0.54 C ATOM 599 CH2 TRP A 57 -14.428 4.528 9.187 1.00 0.58 C ATOM 0 H TRP A 57 -8.613 7.079 7.257 1.00 0.30 H new ATOM 0 HA TRP A 57 -7.429 5.247 9.050 1.00 0.34 H new ATOM 0 HB2 TRP A 57 -9.404 5.596 10.403 1.00 0.37 H new ATOM 0 HB3 TRP A 57 -8.876 7.130 9.738 1.00 0.37 H new ATOM 0 HD1 TRP A 57 -10.468 8.259 7.828 1.00 0.41 H new ATOM 0 HE1 TRP A 57 -12.991 8.003 7.325 1.00 0.45 H new ATOM 0 HE3 TRP A 57 -11.307 3.923 10.396 1.00 0.46 H new ATOM 0 HZ2 TRP A 57 -15.031 6.177 7.967 1.00 0.54 H new ATOM 0 HZ3 TRP A 57 -13.582 2.981 10.411 1.00 0.54 H new ATOM 0 HH2 TRP A 57 -15.416 4.091 9.208 1.00 0.58 H new ATOM 610 N PRO A 58 -9.656 3.845 7.034 1.00 0.34 N ATOM 611 CA PRO A 58 -10.117 2.520 6.627 1.00 0.40 C ATOM 612 C PRO A 58 -9.058 1.792 5.810 1.00 0.36 C ATOM 613 O PRO A 58 -9.325 0.763 5.192 1.00 0.45 O ATOM 614 CB PRO A 58 -11.356 2.811 5.764 1.00 0.47 C ATOM 615 CG PRO A 58 -11.456 4.300 5.643 1.00 0.40 C ATOM 616 CD PRO A 58 -10.137 4.861 6.086 1.00 0.32 C ATOM 0 HA PRO A 58 -10.331 1.876 7.480 1.00 0.40 H new ATOM 0 HB2 PRO A 58 -11.261 2.348 4.782 1.00 0.47 H new ATOM 0 HB3 PRO A 58 -12.254 2.399 6.225 1.00 0.47 H new ATOM 0 HG2 PRO A 58 -11.674 4.590 4.615 1.00 0.40 H new ATOM 0 HG3 PRO A 58 -12.267 4.684 6.262 1.00 0.40 H new ATOM 0 HD2 PRO A 58 -9.451 4.991 5.249 1.00 0.32 H new ATOM 0 HD3 PRO A 58 -10.250 5.836 6.560 1.00 0.32 H new ATOM 624 N PHE A 59 -7.854 2.345 5.819 1.00 0.31 N ATOM 625 CA PHE A 59 -6.749 1.808 5.044 1.00 0.31 C ATOM 626 C PHE A 59 -5.691 1.198 5.960 1.00 0.31 C ATOM 627 O PHE A 59 -4.680 0.684 5.492 1.00 0.52 O ATOM 628 CB PHE A 59 -6.130 2.927 4.199 1.00 0.36 C ATOM 629 CG PHE A 59 -6.371 2.798 2.720 1.00 0.47 C ATOM 630 CD1 PHE A 59 -7.491 2.138 2.234 1.00 0.68 C ATOM 631 CD2 PHE A 59 -5.479 3.345 1.814 1.00 0.92 C ATOM 632 CE1 PHE A 59 -7.710 2.027 0.874 1.00 0.87 C ATOM 633 CE2 PHE A 59 -5.694 3.238 0.453 1.00 1.11 C ATOM 634 CZ PHE A 59 -6.812 2.577 -0.018 1.00 0.95 C ATOM 0 H PHE A 59 -7.618 3.175 6.362 1.00 0.31 H new ATOM 0 HA PHE A 59 -7.126 1.022 4.390 1.00 0.31 H new ATOM 0 HB2 PHE A 59 -6.529 3.883 4.537 1.00 0.36 H new ATOM 0 HB3 PHE A 59 -5.055 2.948 4.379 1.00 0.36 H new ATOM 0 HD1 PHE A 59 -8.199 1.707 2.926 1.00 0.68 H new ATOM 0 HD2 PHE A 59 -4.603 3.863 2.176 1.00 0.92 H new ATOM 0 HE1 PHE A 59 -8.585 1.509 0.509 1.00 0.87 H new ATOM 0 HE2 PHE A 59 -4.989 3.671 -0.241 1.00 1.11 H new ATOM 0 HZ PHE A 59 -6.983 2.491 -1.081 1.00 0.95 H new ATOM 644 N TYR A 60 -5.931 1.258 7.266 1.00 0.35 N ATOM 645 CA TYR A 60 -4.974 0.740 8.244 1.00 0.39 C ATOM 646 C TYR A 60 -5.120 -0.766 8.412 1.00 0.45 C ATOM 647 O TYR A 60 -4.194 -1.445 8.857 1.00 0.63 O ATOM 648 CB TYR A 60 -5.171 1.396 9.613 1.00 0.46 C ATOM 649 CG TYR A 60 -5.094 2.906 9.631 1.00 0.37 C ATOM 650 CD1 TYR A 60 -4.318 3.574 8.693 1.00 0.32 C ATOM 651 CD2 TYR A 60 -5.793 3.664 10.562 1.00 0.49 C ATOM 652 CE1 TYR A 60 -4.237 4.947 8.681 1.00 0.31 C ATOM 653 CE2 TYR A 60 -5.717 5.043 10.555 1.00 0.56 C ATOM 654 CZ TYR A 60 -4.970 5.679 9.715 1.00 0.45 C ATOM 655 OH TYR A 60 -4.850 7.051 9.601 1.00 0.58 O ATOM 0 H TYR A 60 -6.776 1.658 7.673 1.00 0.35 H new ATOM 0 HA TYR A 60 -3.980 0.974 7.864 1.00 0.39 H new ATOM 0 HB2 TYR A 60 -6.143 1.095 10.004 1.00 0.46 H new ATOM 0 HB3 TYR A 60 -4.418 1.003 10.296 1.00 0.46 H new ATOM 0 HD1 TYR A 60 -3.767 3.005 7.959 1.00 0.32 H new ATOM 0 HD2 TYR A 60 -6.404 3.168 11.301 1.00 0.49 H new ATOM 0 HE1 TYR A 60 -3.653 5.466 7.935 1.00 0.31 H new ATOM 0 HE2 TYR A 60 -6.298 5.605 11.271 1.00 0.56 H new ATOM 0 HH TYR A 60 -3.910 7.307 9.705 1.00 0.58 H new ATOM 665 N GLN A 61 -6.295 -1.280 8.083 1.00 0.46 N ATOM 666 CA GLN A 61 -6.600 -2.686 8.312 1.00 0.55 C ATOM 667 C GLN A 61 -6.612 -3.455 6.999 1.00 0.56 C ATOM 668 O GLN A 61 -7.306 -3.069 6.058 1.00 0.57 O ATOM 669 CB GLN A 61 -7.953 -2.842 9.019 1.00 0.65 C ATOM 670 CG GLN A 61 -8.537 -1.535 9.541 1.00 0.71 C ATOM 671 CD GLN A 61 -9.524 -0.895 8.576 1.00 1.09 C ATOM 672 OE1 GLN A 61 -10.347 -0.070 8.973 1.00 1.57 O ATOM 673 NE2 GLN A 61 -9.446 -1.262 7.304 1.00 1.63 N ATOM 0 H GLN A 61 -7.053 -0.746 7.657 1.00 0.46 H new ATOM 0 HA GLN A 61 -5.820 -3.097 8.953 1.00 0.55 H new ATOM 0 HB2 GLN A 61 -8.663 -3.293 8.326 1.00 0.65 H new ATOM 0 HB3 GLN A 61 -7.837 -3.534 9.853 1.00 0.65 H new ATOM 0 HG2 GLN A 61 -9.036 -1.721 10.492 1.00 0.71 H new ATOM 0 HG3 GLN A 61 -7.725 -0.835 9.739 1.00 0.71 H new ATOM 0 HE21 GLN A 61 -8.750 -1.949 7.013 1.00 1.63 H new ATOM 0 HE22 GLN A 61 -10.082 -0.857 6.617 1.00 1.63 H new ATOM 682 N PRO A 62 -5.854 -4.557 6.935 1.00 0.63 N ATOM 683 CA PRO A 62 -5.733 -5.368 5.722 1.00 0.68 C ATOM 684 C PRO A 62 -7.014 -6.124 5.385 1.00 0.69 C ATOM 685 O PRO A 62 -7.864 -6.365 6.249 1.00 0.77 O ATOM 686 CB PRO A 62 -4.609 -6.350 6.061 1.00 0.78 C ATOM 687 CG PRO A 62 -4.606 -6.442 7.545 1.00 0.87 C ATOM 688 CD PRO A 62 -5.046 -5.096 8.047 1.00 0.73 C ATOM 0 HA PRO A 62 -5.534 -4.751 4.846 1.00 0.68 H new ATOM 0 HB2 PRO A 62 -4.787 -7.325 5.606 1.00 0.78 H new ATOM 0 HB3 PRO A 62 -3.649 -5.994 5.687 1.00 0.78 H new ATOM 0 HG2 PRO A 62 -5.281 -7.226 7.888 1.00 0.87 H new ATOM 0 HG3 PRO A 62 -3.613 -6.691 7.918 1.00 0.87 H new ATOM 0 HD2 PRO A 62 -5.631 -5.181 8.963 1.00 0.73 H new ATOM 0 HD3 PRO A 62 -4.194 -4.454 8.272 1.00 0.73 H new ATOM 696 N VAL A 63 -7.144 -6.501 4.120 1.00 0.66 N ATOM 697 CA VAL A 63 -8.295 -7.260 3.666 1.00 0.69 C ATOM 698 C VAL A 63 -8.160 -8.720 4.084 1.00 0.77 C ATOM 699 O VAL A 63 -7.509 -9.525 3.417 1.00 0.88 O ATOM 700 CB VAL A 63 -8.476 -7.147 2.135 1.00 0.73 C ATOM 701 CG1 VAL A 63 -9.466 -8.175 1.614 1.00 0.82 C ATOM 702 CG2 VAL A 63 -8.931 -5.748 1.761 1.00 0.75 C ATOM 0 H VAL A 63 -6.463 -6.291 3.390 1.00 0.66 H new ATOM 0 HA VAL A 63 -9.184 -6.839 4.135 1.00 0.69 H new ATOM 0 HB VAL A 63 -7.510 -7.346 1.671 1.00 0.73 H new ATOM 0 HG11 VAL A 63 -9.569 -8.067 0.534 1.00 0.82 H new ATOM 0 HG12 VAL A 63 -9.105 -9.177 1.845 1.00 0.82 H new ATOM 0 HG13 VAL A 63 -10.435 -8.020 2.088 1.00 0.82 H new ATOM 0 HG21 VAL A 63 -9.055 -5.682 0.680 1.00 0.75 H new ATOM 0 HG22 VAL A 63 -9.882 -5.532 2.249 1.00 0.75 H new ATOM 0 HG23 VAL A 63 -8.184 -5.024 2.085 1.00 0.75 H new ATOM 712 N ASP A 64 -8.755 -9.035 5.222 1.00 0.79 N ATOM 713 CA ASP A 64 -8.753 -10.389 5.752 1.00 0.93 C ATOM 714 C ASP A 64 -9.986 -11.153 5.273 1.00 1.00 C ATOM 715 O ASP A 64 -10.095 -12.362 5.485 1.00 1.51 O ATOM 716 CB ASP A 64 -8.727 -10.349 7.282 1.00 1.02 C ATOM 717 CG ASP A 64 -10.117 -10.325 7.872 1.00 1.29 C ATOM 718 OD1 ASP A 64 -10.844 -9.327 7.662 1.00 1.85 O ATOM 719 OD2 ASP A 64 -10.481 -11.289 8.576 1.00 1.42 O ATOM 0 H ASP A 64 -9.252 -8.361 5.804 1.00 0.79 H new ATOM 0 HA ASP A 64 -7.863 -10.903 5.390 1.00 0.93 H new ATOM 0 HB2 ASP A 64 -8.189 -11.219 7.658 1.00 1.02 H new ATOM 0 HB3 ASP A 64 -8.178 -9.467 7.612 1.00 1.02 H new ATOM 724 N ALA A 65 -10.920 -10.414 4.663 1.00 0.94 N ATOM 725 CA ALA A 65 -12.146 -10.968 4.072 1.00 0.94 C ATOM 726 C ALA A 65 -13.232 -11.240 5.115 1.00 1.03 C ATOM 727 O ALA A 65 -14.416 -11.108 4.824 1.00 1.29 O ATOM 728 CB ALA A 65 -11.864 -12.225 3.256 1.00 0.96 C ATOM 0 H ALA A 65 -10.846 -9.402 4.564 1.00 0.94 H new ATOM 0 HA ALA A 65 -12.526 -10.200 3.398 1.00 0.94 H new ATOM 0 HB1 ALA A 65 -12.796 -12.603 2.836 1.00 0.96 H new ATOM 0 HB2 ALA A 65 -11.173 -11.987 2.448 1.00 0.96 H new ATOM 0 HB3 ALA A 65 -11.421 -12.985 3.900 1.00 0.96 H new ATOM 734 N ILE A 66 -12.841 -11.597 6.328 1.00 1.03 N ATOM 735 CA ILE A 66 -13.813 -11.963 7.353 1.00 1.14 C ATOM 736 C ILE A 66 -14.073 -10.812 8.322 1.00 1.13 C ATOM 737 O ILE A 66 -15.207 -10.362 8.467 1.00 1.19 O ATOM 738 CB ILE A 66 -13.359 -13.205 8.145 1.00 1.24 C ATOM 739 CG1 ILE A 66 -12.998 -14.342 7.186 1.00 1.35 C ATOM 740 CG2 ILE A 66 -14.451 -13.650 9.111 1.00 1.37 C ATOM 741 CD1 ILE A 66 -12.099 -15.392 7.800 1.00 1.89 C ATOM 0 H ILE A 66 -11.867 -11.642 6.628 1.00 1.03 H new ATOM 0 HA ILE A 66 -14.740 -12.196 6.830 1.00 1.14 H new ATOM 0 HB ILE A 66 -12.473 -12.943 8.724 1.00 1.24 H new ATOM 0 HG12 ILE A 66 -13.915 -14.819 6.840 1.00 1.35 H new ATOM 0 HG13 ILE A 66 -12.506 -13.923 6.308 1.00 1.35 H new ATOM 0 HG21 ILE A 66 -14.114 -14.528 9.662 1.00 1.37 H new ATOM 0 HG22 ILE A 66 -14.668 -12.843 9.811 1.00 1.37 H new ATOM 0 HG23 ILE A 66 -15.353 -13.897 8.551 1.00 1.37 H new ATOM 0 HD11 ILE A 66 -11.886 -16.165 7.062 1.00 1.89 H new ATOM 0 HD12 ILE A 66 -11.166 -14.929 8.121 1.00 1.89 H new ATOM 0 HD13 ILE A 66 -12.597 -15.839 8.660 1.00 1.89 H new ATOM 753 N LYS A 67 -13.017 -10.325 8.960 1.00 1.10 N ATOM 754 CA LYS A 67 -13.136 -9.274 9.964 1.00 1.15 C ATOM 755 C LYS A 67 -13.586 -7.965 9.330 1.00 1.13 C ATOM 756 O LYS A 67 -14.301 -7.176 9.946 1.00 1.27 O ATOM 757 CB LYS A 67 -11.806 -9.076 10.681 1.00 1.21 C ATOM 758 CG LYS A 67 -11.949 -8.804 12.171 1.00 1.50 C ATOM 759 CD LYS A 67 -10.900 -9.556 12.982 1.00 1.90 C ATOM 760 CE LYS A 67 -9.894 -8.607 13.616 1.00 2.46 C ATOM 761 NZ LYS A 67 -8.505 -9.129 13.524 1.00 2.99 N ATOM 0 H LYS A 67 -12.061 -10.643 8.799 1.00 1.10 H new ATOM 0 HA LYS A 67 -13.889 -9.582 10.689 1.00 1.15 H new ATOM 0 HB2 LYS A 67 -11.192 -9.965 10.540 1.00 1.21 H new ATOM 0 HB3 LYS A 67 -11.274 -8.245 10.218 1.00 1.21 H new ATOM 0 HG2 LYS A 67 -11.855 -7.734 12.357 1.00 1.50 H new ATOM 0 HG3 LYS A 67 -12.945 -9.099 12.501 1.00 1.50 H new ATOM 0 HD2 LYS A 67 -11.391 -10.139 13.761 1.00 1.90 H new ATOM 0 HD3 LYS A 67 -10.378 -10.262 12.336 1.00 1.90 H new ATOM 0 HE2 LYS A 67 -9.950 -7.636 13.123 1.00 2.46 H new ATOM 0 HE3 LYS A 67 -10.154 -8.449 14.663 1.00 2.46 H new ATOM 0 HZ1 LYS A 67 -7.850 -8.453 13.967 1.00 2.99 H new ATOM 0 HZ2 LYS A 67 -8.444 -10.043 14.016 1.00 2.99 H new ATOM 0 HZ3 LYS A 67 -8.247 -9.256 12.524 1.00 2.99 H new ATOM 775 N LEU A 68 -13.157 -7.736 8.096 1.00 1.02 N ATOM 776 CA LEU A 68 -13.563 -6.546 7.362 1.00 1.03 C ATOM 777 C LEU A 68 -14.837 -6.810 6.560 1.00 1.05 C ATOM 778 O LEU A 68 -15.415 -5.888 5.977 1.00 1.10 O ATOM 779 CB LEU A 68 -12.435 -6.086 6.431 1.00 1.02 C ATOM 780 CG LEU A 68 -12.084 -4.597 6.515 1.00 1.07 C ATOM 781 CD1 LEU A 68 -11.855 -4.177 7.959 1.00 1.61 C ATOM 782 CD2 LEU A 68 -10.856 -4.294 5.672 1.00 1.66 C ATOM 0 H LEU A 68 -12.530 -8.357 7.584 1.00 1.02 H new ATOM 0 HA LEU A 68 -13.771 -5.755 8.082 1.00 1.03 H new ATOM 0 HB2 LEU A 68 -11.540 -6.667 6.656 1.00 1.02 H new ATOM 0 HB3 LEU A 68 -12.716 -6.319 5.404 1.00 1.02 H new ATOM 0 HG LEU A 68 -12.925 -4.025 6.123 1.00 1.07 H new ATOM 0 HD11 LEU A 68 -11.607 -3.116 7.994 1.00 1.61 H new ATOM 0 HD12 LEU A 68 -12.760 -4.358 8.538 1.00 1.61 H new ATOM 0 HD13 LEU A 68 -11.033 -4.756 8.380 1.00 1.61 H new ATOM 0 HD21 LEU A 68 -10.619 -3.232 5.742 1.00 1.66 H new ATOM 0 HD22 LEU A 68 -10.011 -4.879 6.036 1.00 1.66 H new ATOM 0 HD23 LEU A 68 -11.055 -4.553 4.632 1.00 1.66 H new ATOM 794 N ASN A 69 -15.277 -8.070 6.565 1.00 1.06 N ATOM 795 CA ASN A 69 -16.464 -8.506 5.824 1.00 1.12 C ATOM 796 C ASN A 69 -16.330 -8.199 4.335 1.00 1.09 C ATOM 797 O ASN A 69 -17.158 -7.500 3.748 1.00 1.15 O ATOM 798 CB ASN A 69 -17.736 -7.869 6.394 1.00 1.24 C ATOM 799 CG ASN A 69 -19.004 -8.628 6.021 1.00 1.34 C ATOM 800 OD1 ASN A 69 -19.045 -9.367 5.033 1.00 1.74 O ATOM 801 ND2 ASN A 69 -20.051 -8.450 6.812 1.00 1.55 N ATOM 0 H ASN A 69 -14.819 -8.819 7.084 1.00 1.06 H new ATOM 0 HA ASN A 69 -16.544 -9.587 5.940 1.00 1.12 H new ATOM 0 HB2 ASN A 69 -17.655 -7.820 7.480 1.00 1.24 H new ATOM 0 HB3 ASN A 69 -17.814 -6.843 6.034 1.00 1.24 H new ATOM 0 HD21 ASN A 69 -20.928 -8.931 6.613 1.00 1.55 H new ATOM 0 HD22 ASN A 69 -19.980 -7.831 7.620 1.00 1.55 H new ATOM 808 N LEU A 70 -15.271 -8.726 3.735 1.00 1.04 N ATOM 809 CA LEU A 70 -15.042 -8.588 2.304 1.00 1.01 C ATOM 810 C LEU A 70 -14.764 -9.950 1.664 1.00 0.99 C ATOM 811 O LEU A 70 -13.670 -10.192 1.161 1.00 0.95 O ATOM 812 CB LEU A 70 -13.869 -7.642 2.033 1.00 1.01 C ATOM 813 CG LEU A 70 -13.911 -6.323 2.797 1.00 1.13 C ATOM 814 CD1 LEU A 70 -12.626 -5.550 2.586 1.00 1.61 C ATOM 815 CD2 LEU A 70 -15.110 -5.500 2.368 1.00 1.54 C ATOM 0 H LEU A 70 -14.551 -9.258 4.223 1.00 1.04 H new ATOM 0 HA LEU A 70 -15.945 -8.169 1.861 1.00 1.01 H new ATOM 0 HB2 LEU A 70 -12.942 -8.158 2.281 1.00 1.01 H new ATOM 0 HB3 LEU A 70 -13.837 -7.425 0.965 1.00 1.01 H new ATOM 0 HG LEU A 70 -14.009 -6.540 3.861 1.00 1.13 H new ATOM 0 HD11 LEU A 70 -12.671 -4.611 3.138 1.00 1.61 H new ATOM 0 HD12 LEU A 70 -11.783 -6.141 2.944 1.00 1.61 H new ATOM 0 HD13 LEU A 70 -12.497 -5.341 1.524 1.00 1.61 H new ATOM 0 HD21 LEU A 70 -15.125 -4.562 2.923 1.00 1.54 H new ATOM 0 HD22 LEU A 70 -15.043 -5.289 1.301 1.00 1.54 H new ATOM 0 HD23 LEU A 70 -16.025 -6.056 2.572 1.00 1.54 H new ATOM 827 N PRO A 71 -15.748 -10.865 1.676 1.00 1.06 N ATOM 828 CA PRO A 71 -15.583 -12.201 1.096 1.00 1.11 C ATOM 829 C PRO A 71 -15.679 -12.176 -0.427 1.00 1.05 C ATOM 830 O PRO A 71 -15.082 -13.000 -1.119 1.00 1.09 O ATOM 831 CB PRO A 71 -16.747 -12.984 1.699 1.00 1.28 C ATOM 832 CG PRO A 71 -17.806 -11.968 1.952 1.00 1.30 C ATOM 833 CD PRO A 71 -17.095 -10.677 2.256 1.00 1.18 C ATOM 0 HA PRO A 71 -14.606 -12.633 1.312 1.00 1.11 H new ATOM 0 HB2 PRO A 71 -17.098 -13.758 1.016 1.00 1.28 H new ATOM 0 HB3 PRO A 71 -16.451 -13.483 2.622 1.00 1.28 H new ATOM 0 HG2 PRO A 71 -18.454 -11.859 1.083 1.00 1.30 H new ATOM 0 HG3 PRO A 71 -18.440 -12.268 2.787 1.00 1.30 H new ATOM 0 HD2 PRO A 71 -17.607 -9.825 1.809 1.00 1.18 H new ATOM 0 HD3 PRO A 71 -17.045 -10.492 3.329 1.00 1.18 H new ATOM 841 N ASP A 72 -16.420 -11.202 -0.940 1.00 1.04 N ATOM 842 CA ASP A 72 -16.618 -11.052 -2.377 1.00 1.07 C ATOM 843 C ASP A 72 -15.462 -10.271 -2.986 1.00 0.94 C ATOM 844 O ASP A 72 -15.444 -9.983 -4.181 1.00 0.95 O ATOM 845 CB ASP A 72 -17.940 -10.339 -2.667 1.00 1.24 C ATOM 846 CG ASP A 72 -19.124 -10.994 -1.989 1.00 1.49 C ATOM 847 OD1 ASP A 72 -19.466 -12.140 -2.348 1.00 1.93 O ATOM 848 OD2 ASP A 72 -19.725 -10.363 -1.093 1.00 1.97 O ATOM 0 H ASP A 72 -16.898 -10.498 -0.377 1.00 1.04 H new ATOM 0 HA ASP A 72 -16.653 -12.045 -2.825 1.00 1.07 H new ATOM 0 HB2 ASP A 72 -17.867 -9.302 -2.338 1.00 1.24 H new ATOM 0 HB3 ASP A 72 -18.109 -10.321 -3.744 1.00 1.24 H new ATOM 853 N TYR A 73 -14.495 -9.939 -2.145 1.00 0.87 N ATOM 854 CA TYR A 73 -13.318 -9.197 -2.564 1.00 0.79 C ATOM 855 C TYR A 73 -12.480 -10.012 -3.539 1.00 0.74 C ATOM 856 O TYR A 73 -12.064 -9.518 -4.588 1.00 0.73 O ATOM 857 CB TYR A 73 -12.473 -8.845 -1.342 1.00 0.78 C ATOM 858 CG TYR A 73 -11.841 -7.480 -1.407 1.00 0.73 C ATOM 859 CD1 TYR A 73 -12.594 -6.341 -1.170 1.00 0.88 C ATOM 860 CD2 TYR A 73 -10.497 -7.331 -1.714 1.00 0.80 C ATOM 861 CE1 TYR A 73 -12.025 -5.089 -1.237 1.00 0.97 C ATOM 862 CE2 TYR A 73 -9.919 -6.080 -1.784 1.00 0.90 C ATOM 863 CZ TYR A 73 -10.671 -4.969 -1.510 1.00 0.94 C ATOM 864 OH TYR A 73 -10.114 -3.720 -1.612 1.00 1.13 O ATOM 0 H TYR A 73 -14.505 -10.177 -1.153 1.00 0.87 H new ATOM 0 HA TYR A 73 -13.646 -8.286 -3.065 1.00 0.79 H new ATOM 0 HB2 TYR A 73 -13.099 -8.902 -0.452 1.00 0.78 H new ATOM 0 HB3 TYR A 73 -11.688 -9.593 -1.228 1.00 0.78 H new ATOM 0 HD1 TYR A 73 -13.642 -6.437 -0.929 1.00 0.88 H new ATOM 0 HD2 TYR A 73 -9.894 -8.207 -1.901 1.00 0.80 H new ATOM 0 HE1 TYR A 73 -12.629 -4.208 -1.078 1.00 0.97 H new ATOM 0 HE2 TYR A 73 -8.878 -5.978 -2.054 1.00 0.90 H new ATOM 0 HH TYR A 73 -9.966 -3.504 -2.556 1.00 1.13 H new ATOM 874 N HIS A 74 -12.276 -11.278 -3.200 1.00 0.79 N ATOM 875 CA HIS A 74 -11.371 -12.149 -3.945 1.00 0.80 C ATOM 876 C HIS A 74 -12.014 -12.659 -5.229 1.00 0.85 C ATOM 877 O HIS A 74 -11.441 -13.491 -5.933 1.00 0.91 O ATOM 878 CB HIS A 74 -10.940 -13.334 -3.073 1.00 0.89 C ATOM 879 CG HIS A 74 -10.387 -12.924 -1.742 1.00 0.79 C ATOM 880 ND1 HIS A 74 -9.108 -12.434 -1.615 1.00 0.91 N ATOM 881 CD2 HIS A 74 -10.982 -12.931 -0.525 1.00 0.91 C ATOM 882 CE1 HIS A 74 -8.961 -12.151 -0.331 1.00 0.78 C ATOM 883 NE2 HIS A 74 -10.067 -12.437 0.366 1.00 0.82 N ATOM 0 H HIS A 74 -12.729 -11.730 -2.406 1.00 0.79 H new ATOM 0 HA HIS A 74 -10.495 -11.560 -4.217 1.00 0.80 H new ATOM 0 HB2 HIS A 74 -11.796 -13.990 -2.916 1.00 0.89 H new ATOM 0 HB3 HIS A 74 -10.188 -13.914 -3.607 1.00 0.89 H new ATOM 0 HD1 HIS A 74 -8.417 -12.314 -2.356 1.00 0.91 H new ATOM 0 HD2 HIS A 74 -11.985 -13.262 -0.301 1.00 0.91 H new ATOM 0 HE1 HIS A 74 -8.060 -11.740 0.101 1.00 0.78 H new ATOM 891 N LYS A 75 -13.204 -12.157 -5.533 1.00 0.89 N ATOM 892 CA LYS A 75 -13.897 -12.538 -6.749 1.00 0.97 C ATOM 893 C LYS A 75 -13.495 -11.593 -7.862 1.00 0.92 C ATOM 894 O LYS A 75 -13.582 -11.922 -9.044 1.00 1.11 O ATOM 895 CB LYS A 75 -15.416 -12.501 -6.552 1.00 1.09 C ATOM 896 CG LYS A 75 -15.883 -13.030 -5.203 1.00 1.20 C ATOM 897 CD LYS A 75 -15.428 -14.457 -4.960 1.00 1.68 C ATOM 898 CE LYS A 75 -16.534 -15.457 -5.246 1.00 2.05 C ATOM 899 NZ LYS A 75 -16.000 -16.833 -5.406 1.00 2.86 N ATOM 0 H LYS A 75 -13.706 -11.486 -4.952 1.00 0.89 H new ATOM 0 HA LYS A 75 -13.619 -13.559 -7.009 1.00 0.97 H new ATOM 0 HB2 LYS A 75 -15.761 -11.473 -6.666 1.00 1.09 H new ATOM 0 HB3 LYS A 75 -15.888 -13.085 -7.342 1.00 1.09 H new ATOM 0 HG2 LYS A 75 -15.500 -12.388 -4.410 1.00 1.20 H new ATOM 0 HG3 LYS A 75 -16.971 -12.983 -5.153 1.00 1.20 H new ATOM 0 HD2 LYS A 75 -14.567 -14.677 -5.591 1.00 1.68 H new ATOM 0 HD3 LYS A 75 -15.100 -14.563 -3.926 1.00 1.68 H new ATOM 0 HE2 LYS A 75 -17.260 -15.440 -4.433 1.00 2.05 H new ATOM 0 HE3 LYS A 75 -17.064 -15.164 -6.152 1.00 2.05 H new ATOM 0 HZ1 LYS A 75 -16.783 -17.489 -5.600 1.00 2.86 H new ATOM 0 HZ2 LYS A 75 -15.326 -16.854 -6.198 1.00 2.86 H new ATOM 0 HZ3 LYS A 75 -15.516 -17.121 -4.532 1.00 2.86 H new ATOM 913 N ILE A 76 -13.038 -10.413 -7.465 1.00 0.78 N ATOM 914 CA ILE A 76 -12.600 -9.407 -8.412 1.00 0.77 C ATOM 915 C ILE A 76 -11.127 -9.089 -8.202 1.00 0.69 C ATOM 916 O ILE A 76 -10.311 -9.217 -9.116 1.00 0.78 O ATOM 917 CB ILE A 76 -13.420 -8.105 -8.282 1.00 0.82 C ATOM 918 CG1 ILE A 76 -14.906 -8.381 -8.514 1.00 0.94 C ATOM 919 CG2 ILE A 76 -12.914 -7.048 -9.258 1.00 0.87 C ATOM 920 CD1 ILE A 76 -15.808 -7.298 -7.970 1.00 1.00 C ATOM 0 H ILE A 76 -12.962 -10.132 -6.487 1.00 0.78 H new ATOM 0 HA ILE A 76 -12.754 -9.815 -9.411 1.00 0.77 H new ATOM 0 HB ILE A 76 -13.294 -7.723 -7.269 1.00 0.82 H new ATOM 0 HG12 ILE A 76 -15.085 -8.490 -9.584 1.00 0.94 H new ATOM 0 HG13 ILE A 76 -15.169 -9.331 -8.048 1.00 0.94 H new ATOM 0 HG21 ILE A 76 -13.506 -6.139 -9.149 1.00 0.87 H new ATOM 0 HG22 ILE A 76 -11.868 -6.827 -9.045 1.00 0.87 H new ATOM 0 HG23 ILE A 76 -13.006 -7.421 -10.278 1.00 0.87 H new ATOM 0 HD11 ILE A 76 -16.848 -7.557 -8.168 1.00 1.00 H new ATOM 0 HD12 ILE A 76 -15.656 -7.204 -6.895 1.00 1.00 H new ATOM 0 HD13 ILE A 76 -15.571 -6.350 -8.454 1.00 1.00 H new ATOM 932 N ILE A 77 -10.786 -8.697 -6.982 1.00 0.58 N ATOM 933 CA ILE A 77 -9.426 -8.307 -6.660 1.00 0.53 C ATOM 934 C ILE A 77 -8.613 -9.516 -6.221 1.00 0.64 C ATOM 935 O ILE A 77 -8.811 -10.053 -5.131 1.00 0.75 O ATOM 936 CB ILE A 77 -9.389 -7.229 -5.555 1.00 0.46 C ATOM 937 CG1 ILE A 77 -10.319 -6.059 -5.909 1.00 0.47 C ATOM 938 CG2 ILE A 77 -7.966 -6.733 -5.341 1.00 0.44 C ATOM 939 CD1 ILE A 77 -9.971 -5.364 -7.212 1.00 0.50 C ATOM 0 H ILE A 77 -11.437 -8.642 -6.199 1.00 0.58 H new ATOM 0 HA ILE A 77 -8.988 -7.885 -7.564 1.00 0.53 H new ATOM 0 HB ILE A 77 -9.741 -7.678 -4.626 1.00 0.46 H new ATOM 0 HG12 ILE A 77 -11.343 -6.428 -5.969 1.00 0.47 H new ATOM 0 HG13 ILE A 77 -10.290 -5.328 -5.101 1.00 0.47 H new ATOM 0 HG21 ILE A 77 -7.959 -5.974 -4.559 1.00 0.44 H new ATOM 0 HG22 ILE A 77 -7.331 -7.567 -5.043 1.00 0.44 H new ATOM 0 HG23 ILE A 77 -7.588 -6.302 -6.268 1.00 0.44 H new ATOM 0 HD11 ILE A 77 -10.674 -4.550 -7.390 1.00 0.50 H new ATOM 0 HD12 ILE A 77 -8.959 -4.963 -7.151 1.00 0.50 H new ATOM 0 HD13 ILE A 77 -10.029 -6.079 -8.033 1.00 0.50 H new ATOM 951 N LYS A 78 -7.709 -9.951 -7.087 1.00 0.74 N ATOM 952 CA LYS A 78 -6.862 -11.105 -6.799 1.00 0.90 C ATOM 953 C LYS A 78 -5.670 -10.703 -5.935 1.00 0.73 C ATOM 954 O LYS A 78 -4.942 -11.555 -5.425 1.00 0.72 O ATOM 955 CB LYS A 78 -6.384 -11.749 -8.101 1.00 1.16 C ATOM 956 CG LYS A 78 -7.378 -12.750 -8.677 1.00 1.45 C ATOM 957 CD LYS A 78 -7.816 -12.368 -10.084 1.00 1.67 C ATOM 958 CE LYS A 78 -9.294 -12.010 -10.136 1.00 1.72 C ATOM 959 NZ LYS A 78 -9.630 -11.209 -11.346 1.00 1.99 N ATOM 0 H LYS A 78 -7.541 -9.523 -7.997 1.00 0.74 H new ATOM 0 HA LYS A 78 -7.453 -11.833 -6.244 1.00 0.90 H new ATOM 0 HB2 LYS A 78 -6.197 -10.968 -8.838 1.00 1.16 H new ATOM 0 HB3 LYS A 78 -5.434 -12.252 -7.922 1.00 1.16 H new ATOM 0 HG2 LYS A 78 -6.926 -13.742 -8.694 1.00 1.45 H new ATOM 0 HG3 LYS A 78 -8.252 -12.809 -8.028 1.00 1.45 H new ATOM 0 HD2 LYS A 78 -7.224 -11.521 -10.432 1.00 1.67 H new ATOM 0 HD3 LYS A 78 -7.618 -13.196 -10.764 1.00 1.67 H new ATOM 0 HE2 LYS A 78 -9.889 -12.923 -10.129 1.00 1.72 H new ATOM 0 HE3 LYS A 78 -9.563 -11.447 -9.242 1.00 1.72 H new ATOM 0 HZ1 LYS A 78 -9.971 -10.270 -11.057 1.00 1.99 H new ATOM 0 HZ2 LYS A 78 -8.782 -11.102 -11.938 1.00 1.99 H new ATOM 0 HZ3 LYS A 78 -10.372 -11.695 -11.889 1.00 1.99 H new ATOM 973 N ASN A 79 -5.479 -9.401 -5.778 1.00 0.67 N ATOM 974 CA ASN A 79 -4.431 -8.872 -4.915 1.00 0.56 C ATOM 975 C ASN A 79 -5.047 -8.063 -3.777 1.00 0.54 C ATOM 976 O ASN A 79 -5.140 -6.838 -3.856 1.00 0.52 O ATOM 977 CB ASN A 79 -3.466 -7.996 -5.716 1.00 0.60 C ATOM 978 CG ASN A 79 -2.165 -8.704 -6.031 1.00 1.09 C ATOM 979 OD1 ASN A 79 -1.263 -8.775 -5.199 1.00 2.05 O ATOM 980 ND2 ASN A 79 -2.059 -9.231 -7.242 1.00 1.28 N ATOM 0 H ASN A 79 -6.041 -8.686 -6.241 1.00 0.67 H new ATOM 0 HA ASN A 79 -3.874 -9.710 -4.496 1.00 0.56 H new ATOM 0 HB2 ASN A 79 -3.945 -7.691 -6.647 1.00 0.60 H new ATOM 0 HB3 ASN A 79 -3.254 -7.087 -5.154 1.00 0.60 H new ATOM 0 HD21 ASN A 79 -1.205 -9.718 -7.513 1.00 1.28 H new ATOM 0 HD22 ASN A 79 -2.832 -9.150 -7.903 1.00 1.28 H new ATOM 987 N PRO A 80 -5.484 -8.742 -2.705 1.00 0.58 N ATOM 988 CA PRO A 80 -6.154 -8.093 -1.574 1.00 0.60 C ATOM 989 C PRO A 80 -5.169 -7.358 -0.672 1.00 0.55 C ATOM 990 O PRO A 80 -4.612 -7.932 0.264 1.00 0.64 O ATOM 991 CB PRO A 80 -6.798 -9.264 -0.837 1.00 0.70 C ATOM 992 CG PRO A 80 -5.936 -10.441 -1.143 1.00 0.89 C ATOM 993 CD PRO A 80 -5.340 -10.196 -2.502 1.00 0.67 C ATOM 0 HA PRO A 80 -6.867 -7.332 -1.891 1.00 0.60 H new ATOM 0 HB2 PRO A 80 -6.843 -9.077 0.236 1.00 0.70 H new ATOM 0 HB3 PRO A 80 -7.821 -9.427 -1.175 1.00 0.70 H new ATOM 0 HG2 PRO A 80 -5.154 -10.554 -0.392 1.00 0.89 H new ATOM 0 HG3 PRO A 80 -6.520 -11.361 -1.136 1.00 0.89 H new ATOM 0 HD2 PRO A 80 -4.294 -10.501 -2.539 1.00 0.67 H new ATOM 0 HD3 PRO A 80 -5.864 -10.759 -3.274 1.00 0.67 H new ATOM 1001 N MET A 81 -4.951 -6.085 -0.965 1.00 0.46 N ATOM 1002 CA MET A 81 -3.956 -5.296 -0.253 1.00 0.43 C ATOM 1003 C MET A 81 -4.538 -3.984 0.228 1.00 0.43 C ATOM 1004 O MET A 81 -5.652 -3.604 -0.134 1.00 0.55 O ATOM 1005 CB MET A 81 -2.740 -5.030 -1.147 1.00 0.44 C ATOM 1006 CG MET A 81 -2.428 -6.171 -2.099 1.00 0.74 C ATOM 1007 SD MET A 81 -0.871 -6.995 -1.712 1.00 0.82 S ATOM 1008 CE MET A 81 -1.470 -8.430 -0.824 1.00 0.70 C ATOM 0 H MET A 81 -5.451 -5.575 -1.693 1.00 0.46 H new ATOM 0 HA MET A 81 -3.639 -5.871 0.617 1.00 0.43 H new ATOM 0 HB2 MET A 81 -2.915 -4.123 -1.725 1.00 0.44 H new ATOM 0 HB3 MET A 81 -1.870 -4.844 -0.518 1.00 0.44 H new ATOM 0 HG2 MET A 81 -3.238 -6.899 -2.064 1.00 0.74 H new ATOM 0 HG3 MET A 81 -2.388 -5.787 -3.118 1.00 0.74 H new ATOM 0 HE1 MET A 81 -0.634 -8.929 -0.334 1.00 0.70 H new ATOM 0 HE2 MET A 81 -2.196 -8.117 -0.074 1.00 0.70 H new ATOM 0 HE3 MET A 81 -1.945 -9.119 -1.523 1.00 0.70 H new ATOM 1018 N ASP A 82 -3.753 -3.301 1.033 1.00 0.37 N ATOM 1019 CA ASP A 82 -4.164 -2.075 1.686 1.00 0.36 C ATOM 1020 C ASP A 82 -2.916 -1.246 1.975 1.00 0.35 C ATOM 1021 O ASP A 82 -2.039 -1.154 1.125 1.00 0.53 O ATOM 1022 CB ASP A 82 -4.934 -2.399 2.977 1.00 0.38 C ATOM 1023 CG ASP A 82 -4.064 -3.050 4.035 1.00 0.95 C ATOM 1024 OD1 ASP A 82 -3.414 -4.075 3.741 1.00 1.42 O ATOM 1025 OD2 ASP A 82 -3.994 -2.512 5.153 1.00 1.32 O ATOM 0 H ASP A 82 -2.799 -3.585 1.256 1.00 0.37 H new ATOM 0 HA ASP A 82 -4.833 -1.503 1.043 1.00 0.36 H new ATOM 0 HB2 ASP A 82 -5.361 -1.481 3.380 1.00 0.38 H new ATOM 0 HB3 ASP A 82 -5.767 -3.061 2.741 1.00 0.38 H new ATOM 1030 N MET A 83 -2.803 -0.693 3.167 1.00 0.27 N ATOM 1031 CA MET A 83 -1.638 0.098 3.517 1.00 0.26 C ATOM 1032 C MET A 83 -0.854 -0.623 4.597 1.00 0.25 C ATOM 1033 O MET A 83 0.344 -0.393 4.780 1.00 0.26 O ATOM 1034 CB MET A 83 -2.037 1.497 3.987 1.00 0.31 C ATOM 1035 CG MET A 83 -1.248 2.609 3.313 1.00 0.43 C ATOM 1036 SD MET A 83 -0.883 3.979 4.427 1.00 0.80 S ATOM 1037 CE MET A 83 -2.523 4.649 4.693 1.00 0.38 C ATOM 0 H MET A 83 -3.500 -0.776 3.907 1.00 0.27 H new ATOM 0 HA MET A 83 -1.015 0.218 2.631 1.00 0.26 H new ATOM 0 HB2 MET A 83 -3.099 1.647 3.795 1.00 0.31 H new ATOM 0 HB3 MET A 83 -1.896 1.564 5.066 1.00 0.31 H new ATOM 0 HG2 MET A 83 -0.314 2.202 2.926 1.00 0.43 H new ATOM 0 HG3 MET A 83 -1.812 2.982 2.458 1.00 0.43 H new ATOM 0 HE1 MET A 83 -2.467 5.736 4.754 1.00 0.38 H new ATOM 0 HE2 MET A 83 -3.171 4.365 3.864 1.00 0.38 H new ATOM 0 HE3 MET A 83 -2.931 4.254 5.624 1.00 0.38 H new ATOM 1047 N GLY A 84 -1.533 -1.536 5.279 1.00 0.26 N ATOM 1048 CA GLY A 84 -0.897 -2.323 6.303 1.00 0.29 C ATOM 1049 C GLY A 84 -0.118 -3.442 5.676 1.00 0.26 C ATOM 1050 O GLY A 84 0.908 -3.878 6.196 1.00 0.32 O ATOM 0 H GLY A 84 -2.521 -1.743 5.135 1.00 0.26 H new ATOM 0 HA2 GLY A 84 -0.234 -1.695 6.897 1.00 0.29 H new ATOM 0 HA3 GLY A 84 -1.648 -2.727 6.983 1.00 0.29 H new ATOM 1054 N THR A 85 -0.607 -3.907 4.538 1.00 0.24 N ATOM 1055 CA THR A 85 0.105 -4.897 3.767 1.00 0.25 C ATOM 1056 C THR A 85 1.262 -4.264 2.996 1.00 0.26 C ATOM 1057 O THR A 85 2.287 -4.905 2.763 1.00 0.32 O ATOM 1058 CB THR A 85 -0.829 -5.651 2.807 1.00 0.27 C ATOM 1059 OG1 THR A 85 -1.946 -6.164 3.539 1.00 0.95 O ATOM 1060 CG2 THR A 85 -0.103 -6.800 2.119 1.00 0.84 C ATOM 0 H THR A 85 -1.495 -3.611 4.133 1.00 0.24 H new ATOM 0 HA THR A 85 0.513 -5.621 4.473 1.00 0.25 H new ATOM 0 HB THR A 85 -1.169 -4.954 2.041 1.00 0.27 H new ATOM 0 HG1 THR A 85 -2.457 -5.420 3.921 1.00 0.95 H new ATOM 0 HG21 THR A 85 -0.790 -7.314 1.447 1.00 0.84 H new ATOM 0 HG22 THR A 85 0.739 -6.409 1.548 1.00 0.84 H new ATOM 0 HG23 THR A 85 0.262 -7.501 2.870 1.00 0.84 H new ATOM 1068 N ILE A 86 1.109 -2.997 2.627 1.00 0.27 N ATOM 1069 CA ILE A 86 2.181 -2.279 1.941 1.00 0.31 C ATOM 1070 C ILE A 86 3.368 -2.125 2.884 1.00 0.29 C ATOM 1071 O ILE A 86 4.494 -2.498 2.552 1.00 0.32 O ATOM 1072 CB ILE A 86 1.731 -0.881 1.432 1.00 0.36 C ATOM 1073 CG1 ILE A 86 0.811 -0.974 0.201 1.00 0.55 C ATOM 1074 CG2 ILE A 86 2.939 -0.020 1.093 1.00 0.36 C ATOM 1075 CD1 ILE A 86 0.526 -2.382 -0.287 1.00 0.97 C ATOM 0 H ILE A 86 0.264 -2.449 2.788 1.00 0.27 H new ATOM 0 HA ILE A 86 2.462 -2.865 1.066 1.00 0.31 H new ATOM 0 HB ILE A 86 1.165 -0.422 2.242 1.00 0.36 H new ATOM 0 HG12 ILE A 86 -0.136 -0.490 0.438 1.00 0.55 H new ATOM 0 HG13 ILE A 86 1.263 -0.409 -0.614 1.00 0.55 H new ATOM 0 HG21 ILE A 86 2.603 0.955 0.739 1.00 0.36 H new ATOM 0 HG22 ILE A 86 3.554 0.110 1.983 1.00 0.36 H new ATOM 0 HG23 ILE A 86 3.526 -0.507 0.314 1.00 0.36 H new ATOM 0 HD11 ILE A 86 -0.130 -2.340 -1.156 1.00 0.97 H new ATOM 0 HD12 ILE A 86 1.462 -2.868 -0.562 1.00 0.97 H new ATOM 0 HD13 ILE A 86 0.041 -2.951 0.506 1.00 0.97 H new ATOM 1087 N LYS A 87 3.102 -1.610 4.084 1.00 0.29 N ATOM 1088 CA LYS A 87 4.144 -1.463 5.091 1.00 0.34 C ATOM 1089 C LYS A 87 4.677 -2.837 5.503 1.00 0.34 C ATOM 1090 O LYS A 87 5.833 -2.968 5.901 1.00 0.38 O ATOM 1091 CB LYS A 87 3.621 -0.682 6.308 1.00 0.41 C ATOM 1092 CG LYS A 87 2.913 -1.537 7.348 1.00 0.49 C ATOM 1093 CD LYS A 87 2.645 -0.752 8.622 1.00 0.69 C ATOM 1094 CE LYS A 87 3.280 -1.415 9.836 1.00 1.08 C ATOM 1095 NZ LYS A 87 4.577 -0.787 10.204 1.00 1.15 N ATOM 0 H LYS A 87 2.179 -1.290 4.378 1.00 0.29 H new ATOM 0 HA LYS A 87 4.967 -0.892 4.661 1.00 0.34 H new ATOM 0 HB2 LYS A 87 4.458 -0.172 6.784 1.00 0.41 H new ATOM 0 HB3 LYS A 87 2.934 0.089 5.961 1.00 0.41 H new ATOM 0 HG2 LYS A 87 1.971 -1.904 6.940 1.00 0.49 H new ATOM 0 HG3 LYS A 87 3.522 -2.411 7.579 1.00 0.49 H new ATOM 0 HD2 LYS A 87 3.035 0.260 8.515 1.00 0.69 H new ATOM 0 HD3 LYS A 87 1.569 -0.665 8.776 1.00 0.69 H new ATOM 0 HE2 LYS A 87 2.595 -1.353 10.682 1.00 1.08 H new ATOM 0 HE3 LYS A 87 3.436 -2.474 9.630 1.00 1.08 H new ATOM 0 HZ1 LYS A 87 5.292 -1.528 10.351 1.00 1.15 H new ATOM 0 HZ2 LYS A 87 4.886 -0.155 9.438 1.00 1.15 H new ATOM 0 HZ3 LYS A 87 4.461 -0.239 11.080 1.00 1.15 H new ATOM 1109 N LYS A 88 3.827 -3.858 5.380 1.00 0.35 N ATOM 1110 CA LYS A 88 4.215 -5.230 5.683 1.00 0.39 C ATOM 1111 C LYS A 88 5.320 -5.695 4.743 1.00 0.41 C ATOM 1112 O LYS A 88 6.361 -6.166 5.191 1.00 0.46 O ATOM 1113 CB LYS A 88 3.004 -6.160 5.566 1.00 0.42 C ATOM 1114 CG LYS A 88 3.119 -7.436 6.381 1.00 0.73 C ATOM 1115 CD LYS A 88 1.810 -8.211 6.372 1.00 1.26 C ATOM 1116 CE LYS A 88 0.859 -7.710 7.447 1.00 1.68 C ATOM 1117 NZ LYS A 88 -0.509 -7.463 6.916 1.00 2.46 N ATOM 0 H LYS A 88 2.860 -3.756 5.070 1.00 0.35 H new ATOM 0 HA LYS A 88 4.591 -5.263 6.705 1.00 0.39 H new ATOM 0 HB2 LYS A 88 2.112 -5.619 5.883 1.00 0.42 H new ATOM 0 HB3 LYS A 88 2.862 -6.423 4.518 1.00 0.42 H new ATOM 0 HG2 LYS A 88 3.917 -8.059 5.977 1.00 0.73 H new ATOM 0 HG3 LYS A 88 3.394 -7.192 7.407 1.00 0.73 H new ATOM 0 HD2 LYS A 88 1.337 -8.118 5.394 1.00 1.26 H new ATOM 0 HD3 LYS A 88 2.012 -9.271 6.528 1.00 1.26 H new ATOM 0 HE2 LYS A 88 0.807 -8.441 8.254 1.00 1.68 H new ATOM 0 HE3 LYS A 88 1.252 -6.789 7.877 1.00 1.68 H new ATOM 0 HZ1 LYS A 88 -1.123 -7.123 7.683 1.00 2.46 H new ATOM 0 HZ2 LYS A 88 -0.465 -6.746 6.164 1.00 2.46 H new ATOM 0 HZ3 LYS A 88 -0.896 -8.347 6.529 1.00 2.46 H new ATOM 1131 N ARG A 89 5.098 -5.546 3.441 1.00 0.40 N ATOM 1132 CA ARG A 89 6.084 -5.950 2.448 1.00 0.44 C ATOM 1133 C ARG A 89 7.358 -5.120 2.583 1.00 0.43 C ATOM 1134 O ARG A 89 8.460 -5.616 2.349 1.00 0.48 O ATOM 1135 CB ARG A 89 5.514 -5.799 1.037 1.00 0.47 C ATOM 1136 CG ARG A 89 4.245 -6.598 0.798 1.00 0.68 C ATOM 1137 CD ARG A 89 4.428 -7.619 -0.314 1.00 0.64 C ATOM 1138 NE ARG A 89 4.545 -6.992 -1.633 1.00 0.59 N ATOM 1139 CZ ARG A 89 3.596 -7.048 -2.573 1.00 0.78 C ATOM 1140 NH1 ARG A 89 2.466 -7.712 -2.352 1.00 1.16 N ATOM 1141 NH2 ARG A 89 3.776 -6.448 -3.742 1.00 1.03 N ATOM 0 H ARG A 89 4.244 -5.148 3.050 1.00 0.40 H new ATOM 0 HA ARG A 89 6.329 -6.998 2.622 1.00 0.44 H new ATOM 0 HB2 ARG A 89 5.309 -4.745 0.849 1.00 0.47 H new ATOM 0 HB3 ARG A 89 6.269 -6.110 0.315 1.00 0.47 H new ATOM 0 HG2 ARG A 89 3.957 -7.108 1.717 1.00 0.68 H new ATOM 0 HG3 ARG A 89 3.431 -5.921 0.541 1.00 0.68 H new ATOM 0 HD2 ARG A 89 5.321 -8.212 -0.116 1.00 0.64 H new ATOM 0 HD3 ARG A 89 3.582 -8.307 -0.315 1.00 0.64 H new ATOM 0 HE ARG A 89 5.402 -6.482 -1.847 1.00 0.59 H new ATOM 0 HH11 ARG A 89 2.318 -8.184 -1.460 1.00 1.16 H new ATOM 0 HH12 ARG A 89 1.747 -7.750 -3.075 1.00 1.16 H new ATOM 0 HH21 ARG A 89 4.641 -5.941 -3.927 1.00 1.03 H new ATOM 0 HH22 ARG A 89 3.049 -6.494 -4.456 1.00 1.03 H new ATOM 1155 N LEU A 90 7.192 -3.860 2.963 1.00 0.40 N ATOM 1156 CA LEU A 90 8.314 -2.947 3.131 1.00 0.41 C ATOM 1157 C LEU A 90 9.211 -3.367 4.292 1.00 0.44 C ATOM 1158 O LEU A 90 10.402 -3.609 4.109 1.00 0.49 O ATOM 1159 CB LEU A 90 7.809 -1.524 3.372 1.00 0.39 C ATOM 1160 CG LEU A 90 7.653 -0.669 2.118 1.00 0.38 C ATOM 1161 CD1 LEU A 90 6.777 0.541 2.401 1.00 0.38 C ATOM 1162 CD2 LEU A 90 9.013 -0.226 1.601 1.00 0.45 C ATOM 0 H LEU A 90 6.282 -3.444 3.162 1.00 0.40 H new ATOM 0 HA LEU A 90 8.901 -2.980 2.213 1.00 0.41 H new ATOM 0 HB2 LEU A 90 6.845 -1.578 3.877 1.00 0.39 H new ATOM 0 HB3 LEU A 90 8.497 -1.022 4.052 1.00 0.39 H new ATOM 0 HG LEU A 90 7.170 -1.274 1.351 1.00 0.38 H new ATOM 0 HD11 LEU A 90 6.678 1.138 1.495 1.00 0.38 H new ATOM 0 HD12 LEU A 90 5.791 0.208 2.726 1.00 0.38 H new ATOM 0 HD13 LEU A 90 7.233 1.145 3.185 1.00 0.38 H new ATOM 0 HD21 LEU A 90 8.882 0.383 0.706 1.00 0.45 H new ATOM 0 HD22 LEU A 90 9.520 0.360 2.367 1.00 0.45 H new ATOM 0 HD23 LEU A 90 9.613 -1.103 1.358 1.00 0.45 H new ATOM 1174 N GLU A 91 8.634 -3.464 5.483 1.00 0.45 N ATOM 1175 CA GLU A 91 9.421 -3.716 6.687 1.00 0.50 C ATOM 1176 C GLU A 91 9.813 -5.186 6.823 1.00 0.54 C ATOM 1177 O GLU A 91 10.691 -5.526 7.618 1.00 0.64 O ATOM 1178 CB GLU A 91 8.669 -3.245 7.935 1.00 0.53 C ATOM 1179 CG GLU A 91 7.430 -4.062 8.259 1.00 0.76 C ATOM 1180 CD GLU A 91 6.844 -3.708 9.608 1.00 0.94 C ATOM 1181 OE1 GLU A 91 6.621 -2.505 9.870 1.00 1.23 O ATOM 1182 OE2 GLU A 91 6.608 -4.630 10.413 1.00 1.39 O ATOM 0 H GLU A 91 7.631 -3.373 5.643 1.00 0.45 H new ATOM 0 HA GLU A 91 10.342 -3.141 6.592 1.00 0.50 H new ATOM 0 HB2 GLU A 91 9.346 -3.279 8.788 1.00 0.53 H new ATOM 0 HB3 GLU A 91 8.379 -2.203 7.799 1.00 0.53 H new ATOM 0 HG2 GLU A 91 6.679 -3.901 7.486 1.00 0.76 H new ATOM 0 HG3 GLU A 91 7.682 -5.122 8.242 1.00 0.76 H new ATOM 1189 N ASN A 92 9.168 -6.057 6.060 1.00 0.51 N ATOM 1190 CA ASN A 92 9.551 -7.466 6.044 1.00 0.57 C ATOM 1191 C ASN A 92 10.592 -7.711 4.964 1.00 0.60 C ATOM 1192 O ASN A 92 11.110 -8.823 4.828 1.00 0.68 O ATOM 1193 CB ASN A 92 8.338 -8.366 5.808 1.00 0.60 C ATOM 1194 CG ASN A 92 8.185 -9.425 6.882 1.00 0.69 C ATOM 1195 OD1 ASN A 92 8.067 -9.115 8.066 1.00 1.00 O ATOM 1196 ND2 ASN A 92 8.185 -10.688 6.480 1.00 1.30 N ATOM 0 H ASN A 92 8.386 -5.819 5.450 1.00 0.51 H new ATOM 0 HA ASN A 92 9.974 -7.711 7.018 1.00 0.57 H new ATOM 0 HB2 ASN A 92 7.437 -7.754 5.774 1.00 0.60 H new ATOM 0 HB3 ASN A 92 8.432 -8.850 4.836 1.00 0.60 H new ATOM 0 HD21 ASN A 92 8.085 -11.440 7.162 1.00 1.30 H new ATOM 0 HD22 ASN A 92 8.285 -10.908 5.489 1.00 1.30 H new ATOM 1203 N ASN A 93 10.887 -6.657 4.205 1.00 0.58 N ATOM 1204 CA ASN A 93 11.873 -6.702 3.128 1.00 0.62 C ATOM 1205 C ASN A 93 11.497 -7.736 2.075 1.00 0.66 C ATOM 1206 O ASN A 93 12.251 -8.674 1.819 1.00 0.77 O ATOM 1207 CB ASN A 93 13.270 -7.003 3.674 1.00 0.70 C ATOM 1208 CG ASN A 93 14.204 -5.832 3.548 1.00 0.87 C ATOM 1209 OD1 ASN A 93 13.879 -4.715 3.941 1.00 1.75 O ATOM 1210 ND2 ASN A 93 15.377 -6.081 3.016 1.00 1.22 N ATOM 0 H ASN A 93 10.447 -5.744 4.321 1.00 0.58 H new ATOM 0 HA ASN A 93 11.883 -5.718 2.659 1.00 0.62 H new ATOM 0 HB2 ASN A 93 13.192 -7.290 4.723 1.00 0.70 H new ATOM 0 HB3 ASN A 93 13.689 -7.856 3.140 1.00 0.70 H new ATOM 0 HD21 ASN A 93 16.061 -5.331 2.916 1.00 1.22 H new ATOM 0 HD22 ASN A 93 15.605 -7.025 2.703 1.00 1.22 H new ATOM 1217 N TYR A 94 10.325 -7.572 1.475 1.00 0.61 N ATOM 1218 CA TYR A 94 9.870 -8.492 0.443 1.00 0.67 C ATOM 1219 C TYR A 94 10.667 -8.300 -0.842 1.00 0.70 C ATOM 1220 O TYR A 94 11.099 -9.268 -1.472 1.00 0.79 O ATOM 1221 CB TYR A 94 8.380 -8.300 0.157 1.00 0.71 C ATOM 1222 CG TYR A 94 7.899 -9.141 -1.000 1.00 0.71 C ATOM 1223 CD1 TYR A 94 8.153 -10.503 -1.037 1.00 0.77 C ATOM 1224 CD2 TYR A 94 7.214 -8.572 -2.058 1.00 0.74 C ATOM 1225 CE1 TYR A 94 7.735 -11.278 -2.095 1.00 0.83 C ATOM 1226 CE2 TYR A 94 6.793 -9.336 -3.127 1.00 0.81 C ATOM 1227 CZ TYR A 94 7.055 -10.690 -3.141 1.00 0.85 C ATOM 1228 OH TYR A 94 6.649 -11.452 -4.212 1.00 0.96 O ATOM 0 H TYR A 94 9.675 -6.814 1.684 1.00 0.61 H new ATOM 0 HA TYR A 94 10.029 -9.505 0.811 1.00 0.67 H new ATOM 0 HB2 TYR A 94 7.807 -8.553 1.049 1.00 0.71 H new ATOM 0 HB3 TYR A 94 8.187 -7.249 -0.058 1.00 0.71 H new ATOM 0 HD1 TYR A 94 8.689 -10.965 -0.221 1.00 0.77 H new ATOM 0 HD2 TYR A 94 7.005 -7.512 -2.047 1.00 0.74 H new ATOM 0 HE1 TYR A 94 7.938 -12.339 -2.106 1.00 0.83 H new ATOM 0 HE2 TYR A 94 6.262 -8.877 -3.947 1.00 0.81 H new ATOM 0 HH TYR A 94 6.183 -10.883 -4.860 1.00 0.96 H new ATOM 1238 N TYR A 95 10.855 -7.049 -1.223 1.00 0.77 N ATOM 1239 CA TYR A 95 11.508 -6.729 -2.479 1.00 0.88 C ATOM 1240 C TYR A 95 12.892 -6.159 -2.239 1.00 0.75 C ATOM 1241 O TYR A 95 13.387 -6.150 -1.114 1.00 1.04 O ATOM 1242 CB TYR A 95 10.673 -5.735 -3.293 1.00 1.17 C ATOM 1243 CG TYR A 95 9.583 -5.036 -2.509 1.00 0.95 C ATOM 1244 CD1 TYR A 95 9.899 -4.051 -1.584 1.00 1.05 C ATOM 1245 CD2 TYR A 95 8.245 -5.364 -2.685 1.00 0.92 C ATOM 1246 CE1 TYR A 95 8.913 -3.411 -0.858 1.00 1.09 C ATOM 1247 CE2 TYR A 95 7.253 -4.728 -1.962 1.00 0.96 C ATOM 1248 CZ TYR A 95 7.569 -3.749 -1.085 1.00 1.04 C ATOM 1249 OH TYR A 95 6.606 -3.113 -0.334 1.00 1.28 O ATOM 0 H TYR A 95 10.564 -6.237 -0.679 1.00 0.77 H new ATOM 0 HA TYR A 95 11.602 -7.655 -3.046 1.00 0.88 H new ATOM 0 HB2 TYR A 95 11.338 -4.982 -3.715 1.00 1.17 H new ATOM 0 HB3 TYR A 95 10.218 -6.264 -4.131 1.00 1.17 H new ATOM 0 HD1 TYR A 95 10.933 -3.780 -1.429 1.00 1.05 H new ATOM 0 HD2 TYR A 95 7.975 -6.129 -3.398 1.00 0.92 H new ATOM 0 HE1 TYR A 95 9.172 -2.661 -0.126 1.00 1.09 H new ATOM 0 HE2 TYR A 95 6.221 -5.015 -2.098 1.00 0.96 H new ATOM 0 HH TYR A 95 6.552 -2.171 -0.600 1.00 1.28 H new ATOM 1259 N TRP A 96 13.502 -5.678 -3.305 1.00 0.72 N ATOM 1260 CA TRP A 96 14.836 -5.124 -3.240 1.00 0.65 C ATOM 1261 C TRP A 96 14.780 -3.648 -2.873 1.00 0.61 C ATOM 1262 O TRP A 96 15.578 -3.165 -2.071 1.00 0.64 O ATOM 1263 CB TRP A 96 15.526 -5.302 -4.596 1.00 0.68 C ATOM 1264 CG TRP A 96 17.008 -5.124 -4.554 1.00 0.72 C ATOM 1265 CD1 TRP A 96 17.692 -4.054 -4.060 1.00 0.70 C ATOM 1266 CD2 TRP A 96 17.990 -6.037 -5.043 1.00 0.82 C ATOM 1267 NE1 TRP A 96 19.039 -4.258 -4.187 1.00 0.79 N ATOM 1268 CE2 TRP A 96 19.252 -5.464 -4.798 1.00 0.86 C ATOM 1269 CE3 TRP A 96 17.925 -7.282 -5.664 1.00 0.92 C ATOM 1270 CZ2 TRP A 96 20.439 -6.097 -5.154 1.00 0.97 C ATOM 1271 CZ3 TRP A 96 19.103 -7.913 -6.016 1.00 1.03 C ATOM 1272 CH2 TRP A 96 20.346 -7.319 -5.761 1.00 1.05 C ATOM 0 H TRP A 96 13.087 -5.661 -4.236 1.00 0.72 H new ATOM 0 HA TRP A 96 15.404 -5.649 -2.472 1.00 0.65 H new ATOM 0 HB2 TRP A 96 15.301 -6.298 -4.978 1.00 0.68 H new ATOM 0 HB3 TRP A 96 15.105 -4.587 -5.303 1.00 0.68 H new ATOM 0 HD1 TRP A 96 17.237 -3.173 -3.631 1.00 0.70 H new ATOM 0 HE1 TRP A 96 19.767 -3.615 -3.876 1.00 0.79 H new ATOM 0 HE3 TRP A 96 16.971 -7.746 -5.867 1.00 0.92 H new ATOM 0 HZ2 TRP A 96 21.398 -5.640 -4.958 1.00 0.97 H new ATOM 0 HZ3 TRP A 96 19.065 -8.880 -6.496 1.00 1.03 H new ATOM 0 HH2 TRP A 96 21.249 -7.837 -6.050 1.00 1.05 H new ATOM 1283 N SER A 97 13.834 -2.936 -3.457 1.00 0.60 N ATOM 1284 CA SER A 97 13.795 -1.498 -3.307 1.00 0.56 C ATOM 1285 C SER A 97 12.362 -0.965 -3.355 1.00 0.54 C ATOM 1286 O SER A 97 11.408 -1.712 -3.596 1.00 0.55 O ATOM 1287 CB SER A 97 14.646 -0.874 -4.414 1.00 0.58 C ATOM 1288 OG SER A 97 14.520 0.540 -4.455 1.00 1.00 O ATOM 0 H SER A 97 13.090 -3.328 -4.034 1.00 0.60 H new ATOM 0 HA SER A 97 14.197 -1.228 -2.330 1.00 0.56 H new ATOM 0 HB2 SER A 97 15.692 -1.140 -4.259 1.00 0.58 H new ATOM 0 HB3 SER A 97 14.350 -1.291 -5.376 1.00 0.58 H new ATOM 0 HG SER A 97 15.392 0.951 -4.281 1.00 1.00 H new ATOM 1294 N ALA A 98 12.226 0.340 -3.135 1.00 0.54 N ATOM 1295 CA ALA A 98 10.932 0.999 -3.147 1.00 0.56 C ATOM 1296 C ALA A 98 10.425 1.162 -4.575 1.00 0.52 C ATOM 1297 O ALA A 98 9.264 1.510 -4.790 1.00 0.53 O ATOM 1298 CB ALA A 98 11.015 2.351 -2.452 1.00 0.66 C ATOM 0 H ALA A 98 13.009 0.965 -2.944 1.00 0.54 H new ATOM 0 HA ALA A 98 10.224 0.374 -2.602 1.00 0.56 H new ATOM 0 HB1 ALA A 98 10.036 2.830 -2.471 1.00 0.66 H new ATOM 0 HB2 ALA A 98 11.330 2.210 -1.418 1.00 0.66 H new ATOM 0 HB3 ALA A 98 11.738 2.982 -2.969 1.00 0.66 H new ATOM 1304 N SER A 99 11.298 0.906 -5.547 1.00 0.52 N ATOM 1305 CA SER A 99 10.900 0.886 -6.949 1.00 0.54 C ATOM 1306 C SER A 99 9.842 -0.190 -7.162 1.00 0.48 C ATOM 1307 O SER A 99 8.934 -0.054 -7.984 1.00 0.50 O ATOM 1308 CB SER A 99 12.116 0.600 -7.828 1.00 0.62 C ATOM 1309 OG SER A 99 13.108 -0.099 -7.094 1.00 0.85 O ATOM 0 H SER A 99 12.286 0.710 -5.387 1.00 0.52 H new ATOM 0 HA SER A 99 10.486 1.857 -7.221 1.00 0.54 H new ATOM 0 HB2 SER A 99 11.815 0.012 -8.695 1.00 0.62 H new ATOM 0 HB3 SER A 99 12.527 1.536 -8.206 1.00 0.62 H new ATOM 0 HG SER A 99 12.891 -1.055 -7.079 1.00 0.85 H new ATOM 1315 N GLU A 100 9.977 -1.258 -6.390 1.00 0.46 N ATOM 1316 CA GLU A 100 9.041 -2.363 -6.425 1.00 0.48 C ATOM 1317 C GLU A 100 7.824 -2.045 -5.573 1.00 0.44 C ATOM 1318 O GLU A 100 6.704 -2.409 -5.921 1.00 0.52 O ATOM 1319 CB GLU A 100 9.730 -3.627 -5.921 1.00 0.56 C ATOM 1320 CG GLU A 100 10.746 -4.183 -6.901 1.00 1.03 C ATOM 1321 CD GLU A 100 12.159 -3.813 -6.521 1.00 1.83 C ATOM 1322 OE1 GLU A 100 12.788 -4.561 -5.743 1.00 2.37 O ATOM 1323 OE2 GLU A 100 12.648 -2.781 -7.015 1.00 2.44 O ATOM 0 H GLU A 100 10.739 -1.379 -5.723 1.00 0.46 H new ATOM 0 HA GLU A 100 8.708 -2.524 -7.451 1.00 0.48 H new ATOM 0 HB2 GLU A 100 10.227 -3.410 -4.976 1.00 0.56 H new ATOM 0 HB3 GLU A 100 8.976 -4.388 -5.718 1.00 0.56 H new ATOM 0 HG2 GLU A 100 10.654 -5.268 -6.942 1.00 1.03 H new ATOM 0 HG3 GLU A 100 10.529 -3.807 -7.901 1.00 1.03 H new ATOM 1330 N CYS A 101 8.053 -1.337 -4.472 1.00 0.41 N ATOM 1331 CA CYS A 101 6.979 -0.953 -3.562 1.00 0.44 C ATOM 1332 C CYS A 101 6.007 -0.004 -4.247 1.00 0.38 C ATOM 1333 O CYS A 101 4.838 0.087 -3.876 1.00 0.38 O ATOM 1334 CB CYS A 101 7.549 -0.298 -2.303 1.00 0.57 C ATOM 1335 SG CYS A 101 6.307 0.069 -1.045 1.00 0.95 S ATOM 0 H CYS A 101 8.978 -1.016 -4.187 1.00 0.41 H new ATOM 0 HA CYS A 101 6.441 -1.856 -3.275 1.00 0.44 H new ATOM 0 HB2 CYS A 101 8.304 -0.956 -1.873 1.00 0.57 H new ATOM 0 HB3 CYS A 101 8.053 0.627 -2.583 1.00 0.57 H new ATOM 0 HG CYS A 101 5.324 -0.776 -1.146 1.00 0.95 H new ATOM 1341 N MET A 102 6.494 0.697 -5.261 1.00 0.39 N ATOM 1342 CA MET A 102 5.651 1.586 -6.043 1.00 0.44 C ATOM 1343 C MET A 102 4.512 0.803 -6.688 1.00 0.36 C ATOM 1344 O MET A 102 3.447 1.353 -6.962 1.00 0.39 O ATOM 1345 CB MET A 102 6.473 2.296 -7.118 1.00 0.58 C ATOM 1346 CG MET A 102 6.506 3.805 -6.954 1.00 0.75 C ATOM 1347 SD MET A 102 8.048 4.532 -7.543 1.00 1.02 S ATOM 1348 CE MET A 102 8.412 5.677 -6.216 1.00 1.13 C ATOM 0 H MET A 102 7.469 0.666 -5.560 1.00 0.39 H new ATOM 0 HA MET A 102 5.229 2.337 -5.374 1.00 0.44 H new ATOM 0 HB2 MET A 102 7.493 1.913 -7.096 1.00 0.58 H new ATOM 0 HB3 MET A 102 6.062 2.053 -8.098 1.00 0.58 H new ATOM 0 HG2 MET A 102 5.670 4.244 -7.498 1.00 0.75 H new ATOM 0 HG3 MET A 102 6.369 4.056 -5.902 1.00 0.75 H new ATOM 0 HE1 MET A 102 9.391 6.126 -6.382 1.00 1.13 H new ATOM 0 HE2 MET A 102 7.653 6.459 -6.192 1.00 1.13 H new ATOM 0 HE3 MET A 102 8.414 5.144 -5.265 1.00 1.13 H new ATOM 1358 N GLN A 103 4.742 -0.489 -6.906 1.00 0.34 N ATOM 1359 CA GLN A 103 3.739 -1.347 -7.514 1.00 0.36 C ATOM 1360 C GLN A 103 2.644 -1.692 -6.517 1.00 0.30 C ATOM 1361 O GLN A 103 1.462 -1.578 -6.831 1.00 0.31 O ATOM 1362 CB GLN A 103 4.375 -2.623 -8.069 1.00 0.43 C ATOM 1363 CG GLN A 103 4.437 -2.656 -9.589 1.00 1.36 C ATOM 1364 CD GLN A 103 3.067 -2.567 -10.240 1.00 2.17 C ATOM 1365 OE1 GLN A 103 2.386 -1.544 -10.158 1.00 2.70 O ATOM 1366 NE2 GLN A 103 2.661 -3.635 -10.906 1.00 2.96 N ATOM 0 H GLN A 103 5.615 -0.961 -6.670 1.00 0.34 H new ATOM 0 HA GLN A 103 3.290 -0.799 -8.342 1.00 0.36 H new ATOM 0 HB2 GLN A 103 5.384 -2.720 -7.669 1.00 0.43 H new ATOM 0 HB3 GLN A 103 3.808 -3.485 -7.717 1.00 0.43 H new ATOM 0 HG2 GLN A 103 5.055 -1.829 -9.940 1.00 1.36 H new ATOM 0 HG3 GLN A 103 4.926 -3.577 -9.908 1.00 1.36 H new ATOM 0 HE21 GLN A 103 3.254 -4.464 -10.951 1.00 2.96 H new ATOM 0 HE22 GLN A 103 1.755 -3.630 -11.375 1.00 2.96 H new ATOM 1375 N ASP A 104 3.027 -2.094 -5.312 1.00 0.30 N ATOM 1376 CA ASP A 104 2.044 -2.458 -4.299 1.00 0.32 C ATOM 1377 C ASP A 104 1.313 -1.221 -3.798 1.00 0.29 C ATOM 1378 O ASP A 104 0.105 -1.267 -3.544 1.00 0.31 O ATOM 1379 CB ASP A 104 2.678 -3.221 -3.128 1.00 0.48 C ATOM 1380 CG ASP A 104 4.125 -2.854 -2.858 1.00 0.88 C ATOM 1381 OD1 ASP A 104 4.993 -3.251 -3.662 1.00 1.09 O ATOM 1382 OD2 ASP A 104 4.404 -2.191 -1.837 1.00 1.87 O ATOM 0 H ASP A 104 3.999 -2.176 -5.014 1.00 0.30 H new ATOM 0 HA ASP A 104 1.325 -3.128 -4.770 1.00 0.32 H new ATOM 0 HB2 ASP A 104 2.093 -3.034 -2.228 1.00 0.48 H new ATOM 0 HB3 ASP A 104 2.618 -4.290 -3.330 1.00 0.48 H new ATOM 1387 N PHE A 105 2.041 -0.117 -3.678 1.00 0.30 N ATOM 1388 CA PHE A 105 1.441 1.168 -3.343 1.00 0.33 C ATOM 1389 C PHE A 105 0.350 1.513 -4.349 1.00 0.32 C ATOM 1390 O PHE A 105 -0.766 1.881 -3.978 1.00 0.38 O ATOM 1391 CB PHE A 105 2.505 2.266 -3.345 1.00 0.38 C ATOM 1392 CG PHE A 105 2.599 3.031 -2.053 1.00 0.32 C ATOM 1393 CD1 PHE A 105 1.644 3.980 -1.729 1.00 0.36 C ATOM 1394 CD2 PHE A 105 3.634 2.794 -1.160 1.00 0.32 C ATOM 1395 CE1 PHE A 105 1.718 4.678 -0.538 1.00 0.35 C ATOM 1396 CE2 PHE A 105 3.712 3.492 0.031 1.00 0.33 C ATOM 1397 CZ PHE A 105 2.790 4.454 0.326 1.00 0.33 C ATOM 0 H PHE A 105 3.052 -0.087 -3.808 1.00 0.30 H new ATOM 0 HA PHE A 105 1.004 1.098 -2.347 1.00 0.33 H new ATOM 0 HB2 PHE A 105 3.475 1.817 -3.561 1.00 0.38 H new ATOM 0 HB3 PHE A 105 2.290 2.964 -4.154 1.00 0.38 H new ATOM 0 HD1 PHE A 105 0.833 4.177 -2.414 1.00 0.36 H new ATOM 0 HD2 PHE A 105 4.387 2.057 -1.398 1.00 0.32 H new ATOM 0 HE1 PHE A 105 0.951 5.392 -0.278 1.00 0.35 H new ATOM 0 HE2 PHE A 105 4.506 3.275 0.731 1.00 0.33 H new ATOM 0 HZ PHE A 105 2.890 5.041 1.227 1.00 0.33 H new ATOM 1407 N ASN A 106 0.683 1.375 -5.627 1.00 0.30 N ATOM 1408 CA ASN A 106 -0.272 1.625 -6.698 1.00 0.34 C ATOM 1409 C ASN A 106 -1.419 0.620 -6.637 1.00 0.32 C ATOM 1410 O ASN A 106 -2.587 1.001 -6.692 1.00 0.38 O ATOM 1411 CB ASN A 106 0.425 1.555 -8.057 1.00 0.36 C ATOM 1412 CG ASN A 106 -0.552 1.453 -9.212 1.00 0.64 C ATOM 1413 OD1 ASN A 106 -1.333 2.367 -9.466 1.00 0.88 O ATOM 1414 ND2 ASN A 106 -0.507 0.334 -9.917 1.00 0.97 N ATOM 0 H ASN A 106 1.609 1.091 -5.946 1.00 0.30 H new ATOM 0 HA ASN A 106 -0.683 2.626 -6.568 1.00 0.34 H new ATOM 0 HB2 ASN A 106 1.045 2.442 -8.189 1.00 0.36 H new ATOM 0 HB3 ASN A 106 1.093 0.694 -8.074 1.00 0.36 H new ATOM 0 HD21 ASN A 106 -1.138 0.204 -10.708 1.00 0.97 H new ATOM 0 HD22 ASN A 106 0.158 -0.398 -9.669 1.00 0.97 H new ATOM 1421 N THR A 107 -1.078 -0.658 -6.491 1.00 0.29 N ATOM 1422 CA THR A 107 -2.073 -1.725 -6.440 1.00 0.30 C ATOM 1423 C THR A 107 -3.149 -1.432 -5.396 1.00 0.26 C ATOM 1424 O THR A 107 -4.339 -1.570 -5.674 1.00 0.27 O ATOM 1425 CB THR A 107 -1.420 -3.088 -6.134 1.00 0.36 C ATOM 1426 OG1 THR A 107 -0.426 -3.390 -7.125 1.00 0.43 O ATOM 1427 CG2 THR A 107 -2.458 -4.198 -6.107 1.00 0.39 C ATOM 0 H THR A 107 -0.114 -0.981 -6.406 1.00 0.29 H new ATOM 0 HA THR A 107 -2.539 -1.770 -7.424 1.00 0.30 H new ATOM 0 HB THR A 107 -0.953 -3.024 -5.151 1.00 0.36 H new ATOM 0 HG1 THR A 107 0.411 -2.933 -6.899 1.00 0.43 H new ATOM 0 HG21 THR A 107 -1.970 -5.148 -5.889 1.00 0.39 H new ATOM 0 HG22 THR A 107 -3.198 -3.985 -5.336 1.00 0.39 H new ATOM 0 HG23 THR A 107 -2.952 -4.258 -7.077 1.00 0.39 H new ATOM 1435 N MET A 108 -2.722 -1.002 -4.214 1.00 0.26 N ATOM 1436 CA MET A 108 -3.638 -0.676 -3.125 1.00 0.26 C ATOM 1437 C MET A 108 -4.690 0.348 -3.565 1.00 0.24 C ATOM 1438 O MET A 108 -5.863 0.235 -3.205 1.00 0.27 O ATOM 1439 CB MET A 108 -2.846 -0.142 -1.925 1.00 0.32 C ATOM 1440 CG MET A 108 -3.579 0.923 -1.121 1.00 0.62 C ATOM 1441 SD MET A 108 -2.537 1.711 0.124 1.00 0.88 S ATOM 1442 CE MET A 108 -1.511 2.758 -0.900 1.00 0.83 C ATOM 0 H MET A 108 -1.737 -0.870 -3.983 1.00 0.26 H new ATOM 0 HA MET A 108 -4.163 -1.587 -2.837 1.00 0.26 H new ATOM 0 HB2 MET A 108 -2.600 -0.975 -1.266 1.00 0.32 H new ATOM 0 HB3 MET A 108 -1.903 0.272 -2.281 1.00 0.32 H new ATOM 0 HG2 MET A 108 -3.961 1.684 -1.801 1.00 0.62 H new ATOM 0 HG3 MET A 108 -4.441 0.471 -0.631 1.00 0.62 H new ATOM 0 HE1 MET A 108 -1.353 3.714 -0.400 1.00 0.83 H new ATOM 0 HE2 MET A 108 -0.549 2.273 -1.068 1.00 0.83 H new ATOM 0 HE3 MET A 108 -2.004 2.927 -1.857 1.00 0.83 H new ATOM 1452 N PHE A 109 -4.272 1.322 -4.367 1.00 0.22 N ATOM 1453 CA PHE A 109 -5.156 2.405 -4.770 1.00 0.23 C ATOM 1454 C PHE A 109 -6.089 1.949 -5.881 1.00 0.23 C ATOM 1455 O PHE A 109 -7.309 2.095 -5.779 1.00 0.29 O ATOM 1456 CB PHE A 109 -4.341 3.619 -5.220 1.00 0.24 C ATOM 1457 CG PHE A 109 -3.932 4.521 -4.088 1.00 0.22 C ATOM 1458 CD1 PHE A 109 -4.883 5.052 -3.231 1.00 0.24 C ATOM 1459 CD2 PHE A 109 -2.597 4.836 -3.879 1.00 0.22 C ATOM 1460 CE1 PHE A 109 -4.513 5.881 -2.189 1.00 0.24 C ATOM 1461 CE2 PHE A 109 -2.221 5.664 -2.837 1.00 0.22 C ATOM 1462 CZ PHE A 109 -3.180 6.186 -1.991 1.00 0.22 C ATOM 0 H PHE A 109 -3.328 1.382 -4.749 1.00 0.22 H new ATOM 0 HA PHE A 109 -5.761 2.693 -3.911 1.00 0.23 H new ATOM 0 HB2 PHE A 109 -3.447 3.274 -5.740 1.00 0.24 H new ATOM 0 HB3 PHE A 109 -4.926 4.193 -5.938 1.00 0.24 H new ATOM 0 HD1 PHE A 109 -5.926 4.815 -3.379 1.00 0.24 H new ATOM 0 HD2 PHE A 109 -1.843 4.430 -4.537 1.00 0.22 H new ATOM 0 HE1 PHE A 109 -5.265 6.290 -1.530 1.00 0.24 H new ATOM 0 HE2 PHE A 109 -1.179 5.902 -2.685 1.00 0.22 H new ATOM 0 HZ PHE A 109 -2.888 6.832 -1.176 1.00 0.22 H new ATOM 1472 N THR A 110 -5.513 1.379 -6.932 1.00 0.22 N ATOM 1473 CA THR A 110 -6.290 0.865 -8.046 1.00 0.26 C ATOM 1474 C THR A 110 -7.316 -0.161 -7.575 1.00 0.25 C ATOM 1475 O THR A 110 -8.448 -0.173 -8.047 1.00 0.27 O ATOM 1476 CB THR A 110 -5.379 0.221 -9.101 1.00 0.31 C ATOM 1477 OG1 THR A 110 -4.016 0.584 -8.859 1.00 0.49 O ATOM 1478 CG2 THR A 110 -5.775 0.673 -10.487 1.00 0.66 C ATOM 0 H THR A 110 -4.505 1.262 -7.034 1.00 0.22 H new ATOM 0 HA THR A 110 -6.813 1.711 -8.492 1.00 0.26 H new ATOM 0 HB THR A 110 -5.487 -0.861 -9.033 1.00 0.31 H new ATOM 0 HG1 THR A 110 -3.442 0.168 -9.535 1.00 0.49 H new ATOM 0 HG21 THR A 110 -5.119 0.207 -11.223 1.00 0.66 H new ATOM 0 HG22 THR A 110 -6.807 0.381 -10.684 1.00 0.66 H new ATOM 0 HG23 THR A 110 -5.685 1.757 -10.556 1.00 0.66 H new ATOM 1486 N ASN A 111 -6.910 -1.001 -6.630 1.00 0.24 N ATOM 1487 CA ASN A 111 -7.792 -2.014 -6.052 1.00 0.27 C ATOM 1488 C ASN A 111 -9.081 -1.381 -5.525 1.00 0.26 C ATOM 1489 O ASN A 111 -10.182 -1.835 -5.845 1.00 0.28 O ATOM 1490 CB ASN A 111 -7.053 -2.763 -4.932 1.00 0.33 C ATOM 1491 CG ASN A 111 -7.948 -3.142 -3.769 1.00 1.13 C ATOM 1492 OD1 ASN A 111 -8.886 -3.919 -3.917 1.00 1.84 O ATOM 1493 ND2 ASN A 111 -7.661 -2.590 -2.599 1.00 1.61 N ATOM 0 H ASN A 111 -5.966 -1.001 -6.243 1.00 0.24 H new ATOM 0 HA ASN A 111 -8.069 -2.725 -6.830 1.00 0.27 H new ATOM 0 HB2 ASN A 111 -6.604 -3.666 -5.344 1.00 0.33 H new ATOM 0 HB3 ASN A 111 -6.237 -2.140 -4.565 1.00 0.33 H new ATOM 0 HD21 ASN A 111 -8.229 -2.807 -1.780 1.00 1.61 H new ATOM 0 HD22 ASN A 111 -6.872 -1.949 -2.518 1.00 1.61 H new ATOM 1500 N CYS A 112 -8.939 -0.315 -4.741 1.00 0.26 N ATOM 1501 CA CYS A 112 -10.086 0.380 -4.179 1.00 0.30 C ATOM 1502 C CYS A 112 -10.932 1.007 -5.288 1.00 0.31 C ATOM 1503 O CYS A 112 -12.161 0.987 -5.229 1.00 0.35 O ATOM 1504 CB CYS A 112 -9.615 1.446 -3.179 1.00 0.36 C ATOM 1505 SG CYS A 112 -10.518 3.010 -3.251 1.00 0.63 S ATOM 0 H CYS A 112 -8.037 0.084 -4.482 1.00 0.26 H new ATOM 0 HA CYS A 112 -10.710 -0.340 -3.649 1.00 0.30 H new ATOM 0 HB2 CYS A 112 -9.700 1.040 -2.171 1.00 0.36 H new ATOM 0 HB3 CYS A 112 -8.558 1.645 -3.354 1.00 0.36 H new ATOM 0 HG CYS A 112 -10.187 3.750 -2.234 1.00 0.63 H new ATOM 1511 N TYR A 113 -10.265 1.533 -6.312 1.00 0.32 N ATOM 1512 CA TYR A 113 -10.950 2.169 -7.433 1.00 0.36 C ATOM 1513 C TYR A 113 -11.733 1.143 -8.255 1.00 0.41 C ATOM 1514 O TYR A 113 -12.792 1.450 -8.801 1.00 0.52 O ATOM 1515 CB TYR A 113 -9.941 2.887 -8.337 1.00 0.36 C ATOM 1516 CG TYR A 113 -9.322 4.132 -7.730 1.00 0.40 C ATOM 1517 CD1 TYR A 113 -10.079 4.983 -6.929 1.00 0.66 C ATOM 1518 CD2 TYR A 113 -7.987 4.454 -7.945 1.00 0.56 C ATOM 1519 CE1 TYR A 113 -9.523 6.116 -6.362 1.00 0.77 C ATOM 1520 CE2 TYR A 113 -7.425 5.585 -7.382 1.00 0.65 C ATOM 1521 CZ TYR A 113 -8.174 6.425 -6.640 1.00 0.66 C ATOM 1522 OH TYR A 113 -7.633 7.535 -6.027 1.00 0.81 O ATOM 0 H TYR A 113 -9.248 1.531 -6.388 1.00 0.32 H new ATOM 0 HA TYR A 113 -11.652 2.896 -7.024 1.00 0.36 H new ATOM 0 HB2 TYR A 113 -9.144 2.190 -8.595 1.00 0.36 H new ATOM 0 HB3 TYR A 113 -10.438 3.161 -9.268 1.00 0.36 H new ATOM 0 HD1 TYR A 113 -11.119 4.755 -6.747 1.00 0.66 H new ATOM 0 HD2 TYR A 113 -7.378 3.810 -8.562 1.00 0.56 H new ATOM 0 HE1 TYR A 113 -10.111 6.753 -5.718 1.00 0.77 H new ATOM 0 HE2 TYR A 113 -6.378 5.797 -7.538 1.00 0.65 H new ATOM 0 HH TYR A 113 -6.885 7.873 -6.563 1.00 0.81 H new ATOM 1532 N ILE A 114 -11.208 -0.073 -8.334 1.00 0.37 N ATOM 1533 CA ILE A 114 -11.815 -1.127 -9.144 1.00 0.43 C ATOM 1534 C ILE A 114 -12.984 -1.799 -8.425 1.00 0.47 C ATOM 1535 O ILE A 114 -14.073 -1.940 -8.988 1.00 0.55 O ATOM 1536 CB ILE A 114 -10.773 -2.205 -9.519 1.00 0.42 C ATOM 1537 CG1 ILE A 114 -9.710 -1.624 -10.455 1.00 0.43 C ATOM 1538 CG2 ILE A 114 -11.442 -3.409 -10.172 1.00 0.47 C ATOM 1539 CD1 ILE A 114 -8.437 -2.446 -10.520 1.00 0.44 C ATOM 0 H ILE A 114 -10.359 -0.357 -7.845 1.00 0.37 H new ATOM 0 HA ILE A 114 -12.190 -0.646 -10.048 1.00 0.43 H new ATOM 0 HB ILE A 114 -10.290 -2.536 -8.600 1.00 0.42 H new ATOM 0 HG12 ILE A 114 -10.129 -1.540 -11.458 1.00 0.43 H new ATOM 0 HG13 ILE A 114 -9.463 -0.614 -10.127 1.00 0.43 H new ATOM 0 HG21 ILE A 114 -10.686 -4.152 -10.426 1.00 0.47 H new ATOM 0 HG22 ILE A 114 -12.162 -3.845 -9.479 1.00 0.47 H new ATOM 0 HG23 ILE A 114 -11.957 -3.092 -11.079 1.00 0.47 H new ATOM 0 HD11 ILE A 114 -7.732 -1.972 -11.203 1.00 0.44 H new ATOM 0 HD12 ILE A 114 -7.993 -2.509 -9.526 1.00 0.44 H new ATOM 0 HD13 ILE A 114 -8.669 -3.449 -10.878 1.00 0.44 H new ATOM 1551 N TYR A 115 -12.753 -2.221 -7.186 1.00 0.44 N ATOM 1552 CA TYR A 115 -13.760 -2.963 -6.435 1.00 0.51 C ATOM 1553 C TYR A 115 -14.948 -2.077 -6.085 1.00 0.52 C ATOM 1554 O TYR A 115 -16.094 -2.536 -6.057 1.00 0.78 O ATOM 1555 CB TYR A 115 -13.158 -3.553 -5.158 1.00 0.54 C ATOM 1556 CG TYR A 115 -14.099 -4.496 -4.439 1.00 0.68 C ATOM 1557 CD1 TYR A 115 -14.282 -5.800 -4.881 1.00 0.77 C ATOM 1558 CD2 TYR A 115 -14.791 -4.086 -3.306 1.00 0.87 C ATOM 1559 CE1 TYR A 115 -15.126 -6.669 -4.214 1.00 0.94 C ATOM 1560 CE2 TYR A 115 -15.638 -4.948 -2.637 1.00 1.03 C ATOM 1561 CZ TYR A 115 -15.857 -6.219 -3.142 1.00 1.04 C ATOM 1562 OH TYR A 115 -16.635 -7.099 -2.420 1.00 1.22 O ATOM 0 H TYR A 115 -11.881 -2.063 -6.682 1.00 0.44 H new ATOM 0 HA TYR A 115 -14.110 -3.777 -7.070 1.00 0.51 H new ATOM 0 HB2 TYR A 115 -12.240 -4.086 -5.408 1.00 0.54 H new ATOM 0 HB3 TYR A 115 -12.882 -2.741 -4.485 1.00 0.54 H new ATOM 0 HD1 TYR A 115 -13.756 -6.141 -5.761 1.00 0.77 H new ATOM 0 HD2 TYR A 115 -14.665 -3.077 -2.942 1.00 0.87 H new ATOM 0 HE1 TYR A 115 -15.210 -7.697 -4.535 1.00 0.94 H new ATOM 0 HE2 TYR A 115 -16.126 -4.633 -1.726 1.00 1.03 H new ATOM 0 HH TYR A 115 -17.086 -6.618 -1.695 1.00 1.22 H new ATOM 1572 N ASN A 116 -14.671 -0.811 -5.832 1.00 0.40 N ATOM 1573 CA ASN A 116 -15.705 0.121 -5.400 1.00 0.41 C ATOM 1574 C ASN A 116 -16.212 0.955 -6.575 1.00 0.45 C ATOM 1575 O ASN A 116 -16.000 0.602 -7.737 1.00 0.64 O ATOM 1576 CB ASN A 116 -15.172 1.030 -4.294 1.00 0.44 C ATOM 1577 CG ASN A 116 -14.814 0.259 -3.040 1.00 0.49 C ATOM 1578 OD1 ASN A 116 -15.684 -0.292 -2.363 1.00 1.04 O ATOM 1579 ND2 ASN A 116 -13.528 0.210 -2.728 1.00 0.88 N ATOM 0 H ASN A 116 -13.741 -0.402 -5.917 1.00 0.40 H new ATOM 0 HA ASN A 116 -16.541 -0.457 -5.007 1.00 0.41 H new ATOM 0 HB2 ASN A 116 -14.291 1.561 -4.656 1.00 0.44 H new ATOM 0 HB3 ASN A 116 -15.922 1.784 -4.053 1.00 0.44 H new ATOM 0 HD21 ASN A 116 -13.224 -0.299 -1.898 1.00 0.88 H new ATOM 0 HD22 ASN A 116 -12.842 0.681 -3.318 1.00 0.88 H new ATOM 1586 N LYS A 117 -16.896 2.049 -6.272 1.00 0.48 N ATOM 1587 CA LYS A 117 -17.424 2.933 -7.303 1.00 0.53 C ATOM 1588 C LYS A 117 -16.735 4.292 -7.228 1.00 0.52 C ATOM 1589 O LYS A 117 -16.225 4.667 -6.177 1.00 0.55 O ATOM 1590 CB LYS A 117 -18.941 3.112 -7.137 1.00 0.65 C ATOM 1591 CG LYS A 117 -19.613 2.018 -6.320 1.00 1.20 C ATOM 1592 CD LYS A 117 -20.180 2.561 -5.019 1.00 1.82 C ATOM 1593 CE LYS A 117 -20.813 1.459 -4.187 1.00 2.62 C ATOM 1594 NZ LYS A 117 -20.384 1.527 -2.769 1.00 3.47 N ATOM 0 H LYS A 117 -17.099 2.347 -5.318 1.00 0.48 H new ATOM 0 HA LYS A 117 -17.229 2.482 -8.276 1.00 0.53 H new ATOM 0 HB2 LYS A 117 -19.132 4.074 -6.662 1.00 0.65 H new ATOM 0 HB3 LYS A 117 -19.401 3.147 -8.124 1.00 0.65 H new ATOM 0 HG2 LYS A 117 -20.413 1.565 -6.905 1.00 1.20 H new ATOM 0 HG3 LYS A 117 -18.892 1.230 -6.103 1.00 1.20 H new ATOM 0 HD2 LYS A 117 -19.386 3.041 -4.447 1.00 1.82 H new ATOM 0 HD3 LYS A 117 -20.924 3.328 -5.236 1.00 1.82 H new ATOM 0 HE2 LYS A 117 -21.899 1.539 -4.243 1.00 2.62 H new ATOM 0 HE3 LYS A 117 -20.543 0.488 -4.603 1.00 2.62 H new ATOM 0 HZ1 LYS A 117 -20.796 0.730 -2.243 1.00 3.47 H new ATOM 0 HZ2 LYS A 117 -19.346 1.477 -2.717 1.00 3.47 H new ATOM 0 HZ3 LYS A 117 -20.709 2.422 -2.351 1.00 3.47 H new ATOM 1608 N PRO A 118 -16.712 5.058 -8.332 1.00 0.59 N ATOM 1609 CA PRO A 118 -16.131 6.409 -8.340 1.00 0.68 C ATOM 1610 C PRO A 118 -16.825 7.337 -7.341 1.00 0.70 C ATOM 1611 O PRO A 118 -16.266 8.348 -6.907 1.00 0.81 O ATOM 1612 CB PRO A 118 -16.373 6.895 -9.773 1.00 0.79 C ATOM 1613 CG PRO A 118 -16.590 5.665 -10.581 1.00 0.96 C ATOM 1614 CD PRO A 118 -17.231 4.670 -9.657 1.00 0.68 C ATOM 0 HA PRO A 118 -15.080 6.404 -8.051 1.00 0.68 H new ATOM 0 HB2 PRO A 118 -17.240 7.554 -9.822 1.00 0.79 H new ATOM 0 HB3 PRO A 118 -15.519 7.462 -10.144 1.00 0.79 H new ATOM 0 HG2 PRO A 118 -17.231 5.870 -11.439 1.00 0.96 H new ATOM 0 HG3 PRO A 118 -15.647 5.283 -10.972 1.00 0.96 H new ATOM 0 HD2 PRO A 118 -18.319 4.727 -9.696 1.00 0.68 H new ATOM 0 HD3 PRO A 118 -16.956 3.647 -9.913 1.00 0.68 H new ATOM 1622 N THR A 119 -18.046 6.977 -6.981 1.00 0.67 N ATOM 1623 CA THR A 119 -18.844 7.751 -6.045 1.00 0.77 C ATOM 1624 C THR A 119 -18.706 7.222 -4.618 1.00 0.69 C ATOM 1625 O THR A 119 -19.425 7.652 -3.715 1.00 0.78 O ATOM 1626 CB THR A 119 -20.323 7.702 -6.455 1.00 0.97 C ATOM 1627 OG1 THR A 119 -20.464 6.913 -7.649 1.00 0.98 O ATOM 1628 CG2 THR A 119 -20.861 9.102 -6.696 1.00 1.23 C ATOM 0 H THR A 119 -18.512 6.139 -7.330 1.00 0.67 H new ATOM 0 HA THR A 119 -18.479 8.778 -6.071 1.00 0.77 H new ATOM 0 HB THR A 119 -20.896 7.248 -5.646 1.00 0.97 H new ATOM 0 HG1 THR A 119 -21.408 6.880 -7.910 1.00 0.98 H new ATOM 0 HG21 THR A 119 -21.910 9.044 -6.985 1.00 1.23 H new ATOM 0 HG22 THR A 119 -20.769 9.690 -5.783 1.00 1.23 H new ATOM 0 HG23 THR A 119 -20.291 9.579 -7.493 1.00 1.23 H new ATOM 1636 N ASP A 120 -17.780 6.294 -4.417 1.00 0.59 N ATOM 1637 CA ASP A 120 -17.621 5.651 -3.122 1.00 0.59 C ATOM 1638 C ASP A 120 -16.924 6.565 -2.132 1.00 0.47 C ATOM 1639 O ASP A 120 -16.175 7.468 -2.514 1.00 0.39 O ATOM 1640 CB ASP A 120 -16.832 4.353 -3.245 1.00 0.63 C ATOM 1641 CG ASP A 120 -17.225 3.352 -2.184 1.00 0.94 C ATOM 1642 OD1 ASP A 120 -16.878 3.564 -1.002 1.00 1.34 O ATOM 1643 OD2 ASP A 120 -17.898 2.361 -2.531 1.00 1.19 O ATOM 0 H ASP A 120 -17.129 5.971 -5.133 1.00 0.59 H new ATOM 0 HA ASP A 120 -18.623 5.428 -2.754 1.00 0.59 H new ATOM 0 HB2 ASP A 120 -16.997 3.920 -4.232 1.00 0.63 H new ATOM 0 HB3 ASP A 120 -15.766 4.567 -3.165 1.00 0.63 H new ATOM 1648 N ASP A 121 -17.166 6.303 -0.859 1.00 0.52 N ATOM 1649 CA ASP A 121 -16.571 7.072 0.221 1.00 0.51 C ATOM 1650 C ASP A 121 -15.080 6.791 0.295 1.00 0.39 C ATOM 1651 O ASP A 121 -14.268 7.706 0.439 1.00 0.39 O ATOM 1652 CB ASP A 121 -17.234 6.720 1.556 1.00 0.70 C ATOM 1653 CG ASP A 121 -18.271 7.739 1.988 1.00 0.91 C ATOM 1654 OD1 ASP A 121 -19.153 8.075 1.170 1.00 1.18 O ATOM 1655 OD2 ASP A 121 -18.203 8.219 3.142 1.00 1.44 O ATOM 0 H ASP A 121 -17.780 5.552 -0.545 1.00 0.52 H new ATOM 0 HA ASP A 121 -16.727 8.132 0.022 1.00 0.51 H new ATOM 0 HB2 ASP A 121 -17.706 5.741 1.474 1.00 0.70 H new ATOM 0 HB3 ASP A 121 -16.467 6.641 2.327 1.00 0.70 H new ATOM 1660 N ILE A 122 -14.719 5.516 0.158 1.00 0.34 N ATOM 1661 CA ILE A 122 -13.319 5.109 0.206 1.00 0.27 C ATOM 1662 C ILE A 122 -12.555 5.675 -0.990 1.00 0.25 C ATOM 1663 O ILE A 122 -11.381 6.028 -0.881 1.00 0.29 O ATOM 1664 CB ILE A 122 -13.165 3.563 0.254 1.00 0.31 C ATOM 1665 CG1 ILE A 122 -11.687 3.171 0.332 1.00 0.35 C ATOM 1666 CG2 ILE A 122 -13.829 2.905 -0.948 1.00 0.41 C ATOM 1667 CD1 ILE A 122 -11.153 3.120 1.748 1.00 0.42 C ATOM 0 H ILE A 122 -15.377 4.750 0.013 1.00 0.34 H new ATOM 0 HA ILE A 122 -12.896 5.513 1.126 1.00 0.27 H new ATOM 0 HB ILE A 122 -13.667 3.205 1.153 1.00 0.31 H new ATOM 0 HG12 ILE A 122 -11.552 2.195 -0.135 1.00 0.35 H new ATOM 0 HG13 ILE A 122 -11.098 3.884 -0.245 1.00 0.35 H new ATOM 0 HG21 ILE A 122 -13.704 1.824 -0.886 1.00 0.41 H new ATOM 0 HG22 ILE A 122 -14.892 3.148 -0.955 1.00 0.41 H new ATOM 0 HG23 ILE A 122 -13.367 3.271 -1.865 1.00 0.41 H new ATOM 0 HD11 ILE A 122 -10.101 2.836 1.730 1.00 0.42 H new ATOM 0 HD12 ILE A 122 -11.256 4.101 2.211 1.00 0.42 H new ATOM 0 HD13 ILE A 122 -11.717 2.386 2.323 1.00 0.42 H new ATOM 1679 N VAL A 123 -13.237 5.782 -2.123 1.00 0.24 N ATOM 1680 CA VAL A 123 -12.638 6.347 -3.321 1.00 0.25 C ATOM 1681 C VAL A 123 -12.420 7.847 -3.142 1.00 0.24 C ATOM 1682 O VAL A 123 -11.385 8.392 -3.533 1.00 0.26 O ATOM 1683 CB VAL A 123 -13.512 6.092 -4.569 1.00 0.28 C ATOM 1684 CG1 VAL A 123 -13.249 7.148 -5.632 1.00 0.35 C ATOM 1685 CG2 VAL A 123 -13.264 4.693 -5.116 1.00 0.32 C ATOM 0 H VAL A 123 -14.206 5.484 -2.236 1.00 0.24 H new ATOM 0 HA VAL A 123 -11.678 5.854 -3.474 1.00 0.25 H new ATOM 0 HB VAL A 123 -14.560 6.161 -4.278 1.00 0.28 H new ATOM 0 HG11 VAL A 123 -13.874 6.951 -6.503 1.00 0.35 H new ATOM 0 HG12 VAL A 123 -13.485 8.134 -5.232 1.00 0.35 H new ATOM 0 HG13 VAL A 123 -12.199 7.117 -5.924 1.00 0.35 H new ATOM 0 HG21 VAL A 123 -13.888 4.530 -5.995 1.00 0.32 H new ATOM 0 HG22 VAL A 123 -12.214 4.591 -5.392 1.00 0.32 H new ATOM 0 HG23 VAL A 123 -13.512 3.955 -4.353 1.00 0.32 H new ATOM 1695 N LEU A 124 -13.403 8.509 -2.543 1.00 0.27 N ATOM 1696 CA LEU A 124 -13.299 9.932 -2.259 1.00 0.31 C ATOM 1697 C LEU A 124 -12.101 10.196 -1.362 1.00 0.29 C ATOM 1698 O LEU A 124 -11.439 11.229 -1.470 1.00 0.36 O ATOM 1699 CB LEU A 124 -14.574 10.440 -1.586 1.00 0.37 C ATOM 1700 CG LEU A 124 -15.345 11.494 -2.379 1.00 0.44 C ATOM 1701 CD1 LEU A 124 -16.840 11.355 -2.140 1.00 0.52 C ATOM 1702 CD2 LEU A 124 -14.868 12.892 -2.010 1.00 0.49 C ATOM 0 H LEU A 124 -14.280 8.082 -2.245 1.00 0.27 H new ATOM 0 HA LEU A 124 -13.167 10.464 -3.201 1.00 0.31 H new ATOM 0 HB2 LEU A 124 -15.233 9.591 -1.402 1.00 0.37 H new ATOM 0 HB3 LEU A 124 -14.312 10.858 -0.614 1.00 0.37 H new ATOM 0 HG LEU A 124 -15.154 11.336 -3.440 1.00 0.44 H new ATOM 0 HD11 LEU A 124 -17.372 12.114 -2.713 1.00 0.52 H new ATOM 0 HD12 LEU A 124 -17.169 10.365 -2.456 1.00 0.52 H new ATOM 0 HD13 LEU A 124 -17.053 11.486 -1.079 1.00 0.52 H new ATOM 0 HD21 LEU A 124 -15.428 13.631 -2.584 1.00 0.49 H new ATOM 0 HD22 LEU A 124 -15.029 13.062 -0.945 1.00 0.49 H new ATOM 0 HD23 LEU A 124 -13.806 12.986 -2.236 1.00 0.49 H new ATOM 1714 N MET A 125 -11.823 9.242 -0.485 1.00 0.25 N ATOM 1715 CA MET A 125 -10.689 9.343 0.409 1.00 0.26 C ATOM 1716 C MET A 125 -9.391 9.044 -0.330 1.00 0.24 C ATOM 1717 O MET A 125 -8.417 9.783 -0.203 1.00 0.25 O ATOM 1718 CB MET A 125 -10.849 8.389 1.597 1.00 0.35 C ATOM 1719 CG MET A 125 -12.054 8.696 2.469 1.00 0.62 C ATOM 1720 SD MET A 125 -12.583 7.283 3.456 1.00 0.54 S ATOM 1721 CE MET A 125 -13.534 8.114 4.725 1.00 0.62 C ATOM 0 H MET A 125 -12.372 8.389 -0.377 1.00 0.25 H new ATOM 0 HA MET A 125 -10.648 10.365 0.785 1.00 0.26 H new ATOM 0 HB2 MET A 125 -10.933 7.368 1.223 1.00 0.35 H new ATOM 0 HB3 MET A 125 -9.948 8.431 2.209 1.00 0.35 H new ATOM 0 HG2 MET A 125 -11.814 9.527 3.132 1.00 0.62 H new ATOM 0 HG3 MET A 125 -12.880 9.021 1.837 1.00 0.62 H new ATOM 0 HE1 MET A 125 -13.934 7.377 5.421 1.00 0.62 H new ATOM 0 HE2 MET A 125 -12.892 8.811 5.263 1.00 0.62 H new ATOM 0 HE3 MET A 125 -14.356 8.661 4.264 1.00 0.62 H new ATOM 1731 N ALA A 126 -9.392 7.965 -1.111 1.00 0.25 N ATOM 1732 CA ALA A 126 -8.220 7.550 -1.881 1.00 0.27 C ATOM 1733 C ALA A 126 -7.678 8.691 -2.741 1.00 0.25 C ATOM 1734 O ALA A 126 -6.467 8.840 -2.895 1.00 0.25 O ATOM 1735 CB ALA A 126 -8.563 6.349 -2.751 1.00 0.31 C ATOM 0 H ALA A 126 -10.202 7.356 -1.228 1.00 0.25 H new ATOM 0 HA ALA A 126 -7.439 7.269 -1.175 1.00 0.27 H new ATOM 0 HB1 ALA A 126 -7.683 6.049 -3.320 1.00 0.31 H new ATOM 0 HB2 ALA A 126 -8.886 5.522 -2.119 1.00 0.31 H new ATOM 0 HB3 ALA A 126 -9.366 6.615 -3.438 1.00 0.31 H new ATOM 1741 N GLN A 127 -8.584 9.500 -3.278 1.00 0.27 N ATOM 1742 CA GLN A 127 -8.210 10.629 -4.124 1.00 0.30 C ATOM 1743 C GLN A 127 -7.336 11.627 -3.363 1.00 0.28 C ATOM 1744 O GLN A 127 -6.389 12.188 -3.918 1.00 0.31 O ATOM 1745 CB GLN A 127 -9.459 11.330 -4.654 1.00 0.38 C ATOM 1746 CG GLN A 127 -10.045 10.671 -5.889 1.00 0.86 C ATOM 1747 CD GLN A 127 -11.475 11.099 -6.143 1.00 1.30 C ATOM 1748 OE1 GLN A 127 -11.740 11.991 -6.950 1.00 1.94 O ATOM 1749 NE2 GLN A 127 -12.408 10.467 -5.450 1.00 1.62 N ATOM 0 H GLN A 127 -9.589 9.394 -3.142 1.00 0.27 H new ATOM 0 HA GLN A 127 -7.633 10.241 -4.963 1.00 0.30 H new ATOM 0 HB2 GLN A 127 -10.215 11.350 -3.869 1.00 0.38 H new ATOM 0 HB3 GLN A 127 -9.213 12.366 -4.887 1.00 0.38 H new ATOM 0 HG2 GLN A 127 -9.434 10.920 -6.756 1.00 0.86 H new ATOM 0 HG3 GLN A 127 -10.007 9.588 -5.773 1.00 0.86 H new ATOM 0 HE21 GLN A 127 -12.145 9.734 -4.791 1.00 1.62 H new ATOM 0 HE22 GLN A 127 -13.390 10.713 -5.574 1.00 1.62 H new ATOM 1758 N ALA A 128 -7.661 11.850 -2.096 1.00 0.27 N ATOM 1759 CA ALA A 128 -6.881 12.750 -1.258 1.00 0.28 C ATOM 1760 C ALA A 128 -5.629 12.049 -0.746 1.00 0.24 C ATOM 1761 O ALA A 128 -4.561 12.651 -0.639 1.00 0.27 O ATOM 1762 CB ALA A 128 -7.722 13.254 -0.094 1.00 0.32 C ATOM 0 H ALA A 128 -8.458 11.420 -1.627 1.00 0.27 H new ATOM 0 HA ALA A 128 -6.576 13.606 -1.860 1.00 0.28 H new ATOM 0 HB1 ALA A 128 -7.125 13.925 0.523 1.00 0.32 H new ATOM 0 HB2 ALA A 128 -8.590 13.790 -0.478 1.00 0.32 H new ATOM 0 HB3 ALA A 128 -8.054 12.408 0.508 1.00 0.32 H new ATOM 1768 N LEU A 129 -5.777 10.767 -0.444 1.00 0.19 N ATOM 1769 CA LEU A 129 -4.676 9.943 0.046 1.00 0.17 C ATOM 1770 C LEU A 129 -3.544 9.884 -0.984 1.00 0.17 C ATOM 1771 O LEU A 129 -2.363 9.951 -0.634 1.00 0.19 O ATOM 1772 CB LEU A 129 -5.185 8.524 0.337 1.00 0.16 C ATOM 1773 CG LEU A 129 -5.683 8.248 1.766 1.00 0.18 C ATOM 1774 CD1 LEU A 129 -6.563 9.376 2.272 1.00 0.22 C ATOM 1775 CD2 LEU A 129 -6.443 6.933 1.805 1.00 0.33 C ATOM 0 H LEU A 129 -6.662 10.267 -0.531 1.00 0.19 H new ATOM 0 HA LEU A 129 -4.288 10.389 0.962 1.00 0.17 H new ATOM 0 HB2 LEU A 129 -5.999 8.306 -0.355 1.00 0.16 H new ATOM 0 HB3 LEU A 129 -4.381 7.822 0.115 1.00 0.16 H new ATOM 0 HG LEU A 129 -4.814 8.182 2.421 1.00 0.18 H new ATOM 0 HD11 LEU A 129 -6.898 9.150 3.284 1.00 0.22 H new ATOM 0 HD12 LEU A 129 -5.995 10.306 2.277 1.00 0.22 H new ATOM 0 HD13 LEU A 129 -7.429 9.483 1.619 1.00 0.22 H new ATOM 0 HD21 LEU A 129 -6.792 6.745 2.820 1.00 0.33 H new ATOM 0 HD22 LEU A 129 -7.298 6.987 1.131 1.00 0.33 H new ATOM 0 HD23 LEU A 129 -5.785 6.123 1.492 1.00 0.33 H new ATOM 1787 N GLU A 130 -3.920 9.776 -2.258 1.00 0.19 N ATOM 1788 CA GLU A 130 -2.958 9.676 -3.359 1.00 0.22 C ATOM 1789 C GLU A 130 -2.051 10.902 -3.438 1.00 0.20 C ATOM 1790 O GLU A 130 -0.936 10.822 -3.956 1.00 0.20 O ATOM 1791 CB GLU A 130 -3.695 9.511 -4.692 1.00 0.34 C ATOM 1792 CG GLU A 130 -3.984 8.066 -5.061 1.00 0.76 C ATOM 1793 CD GLU A 130 -4.214 7.873 -6.547 1.00 0.92 C ATOM 1794 OE1 GLU A 130 -4.879 8.726 -7.172 1.00 1.27 O ATOM 1795 OE2 GLU A 130 -3.732 6.861 -7.098 1.00 1.47 O ATOM 0 H GLU A 130 -4.895 9.755 -2.557 1.00 0.19 H new ATOM 0 HA GLU A 130 -2.336 8.802 -3.164 1.00 0.22 H new ATOM 0 HB2 GLU A 130 -4.636 10.059 -4.646 1.00 0.34 H new ATOM 0 HB3 GLU A 130 -3.100 9.966 -5.484 1.00 0.34 H new ATOM 0 HG2 GLU A 130 -3.150 7.441 -4.743 1.00 0.76 H new ATOM 0 HG3 GLU A 130 -4.864 7.725 -4.515 1.00 0.76 H new ATOM 1802 N LYS A 131 -2.523 12.030 -2.919 1.00 0.24 N ATOM 1803 CA LYS A 131 -1.764 13.270 -2.988 1.00 0.28 C ATOM 1804 C LYS A 131 -0.484 13.154 -2.176 1.00 0.25 C ATOM 1805 O LYS A 131 0.572 13.616 -2.601 1.00 0.28 O ATOM 1806 CB LYS A 131 -2.604 14.444 -2.482 1.00 0.37 C ATOM 1807 CG LYS A 131 -2.855 15.516 -3.534 1.00 0.80 C ATOM 1808 CD LYS A 131 -4.319 15.570 -3.941 1.00 1.18 C ATOM 1809 CE LYS A 131 -4.549 14.880 -5.277 1.00 1.56 C ATOM 1810 NZ LYS A 131 -5.954 14.419 -5.437 1.00 2.24 N ATOM 0 H LYS A 131 -3.424 12.110 -2.448 1.00 0.24 H new ATOM 0 HA LYS A 131 -1.503 13.454 -4.030 1.00 0.28 H new ATOM 0 HB2 LYS A 131 -3.562 14.066 -2.125 1.00 0.37 H new ATOM 0 HB3 LYS A 131 -2.102 14.897 -1.627 1.00 0.37 H new ATOM 0 HG2 LYS A 131 -2.549 16.487 -3.145 1.00 0.80 H new ATOM 0 HG3 LYS A 131 -2.240 15.316 -4.412 1.00 0.80 H new ATOM 0 HD2 LYS A 131 -4.929 15.094 -3.174 1.00 1.18 H new ATOM 0 HD3 LYS A 131 -4.642 16.609 -4.006 1.00 1.18 H new ATOM 0 HE2 LYS A 131 -4.299 15.566 -6.086 1.00 1.56 H new ATOM 0 HE3 LYS A 131 -3.876 14.027 -5.364 1.00 1.56 H new ATOM 0 HZ1 LYS A 131 -6.212 14.433 -6.445 1.00 2.24 H new ATOM 0 HZ2 LYS A 131 -6.045 13.450 -5.070 1.00 2.24 H new ATOM 0 HZ3 LYS A 131 -6.589 15.051 -4.908 1.00 2.24 H new ATOM 1824 N ILE A 132 -0.579 12.503 -1.022 1.00 0.28 N ATOM 1825 CA ILE A 132 0.564 12.342 -0.134 1.00 0.33 C ATOM 1826 C ILE A 132 1.618 11.434 -0.764 1.00 0.26 C ATOM 1827 O ILE A 132 2.813 11.576 -0.501 1.00 0.29 O ATOM 1828 CB ILE A 132 0.141 11.763 1.233 1.00 0.49 C ATOM 1829 CG1 ILE A 132 -1.113 12.475 1.750 1.00 0.46 C ATOM 1830 CG2 ILE A 132 1.279 11.887 2.237 1.00 1.23 C ATOM 1831 CD1 ILE A 132 -1.553 12.018 3.124 1.00 0.59 C ATOM 0 H ILE A 132 -1.440 12.077 -0.679 1.00 0.28 H new ATOM 0 HA ILE A 132 0.989 13.333 0.024 1.00 0.33 H new ATOM 0 HB ILE A 132 -0.092 10.706 1.105 1.00 0.49 H new ATOM 0 HG12 ILE A 132 -0.925 13.548 1.778 1.00 0.46 H new ATOM 0 HG13 ILE A 132 -1.928 12.312 1.045 1.00 0.46 H new ATOM 0 HG21 ILE A 132 0.965 11.474 3.196 1.00 1.23 H new ATOM 0 HG22 ILE A 132 2.147 11.338 1.873 1.00 1.23 H new ATOM 0 HG23 ILE A 132 1.541 12.938 2.362 1.00 1.23 H new ATOM 0 HD11 ILE A 132 -2.446 12.567 3.421 1.00 0.59 H new ATOM 0 HD12 ILE A 132 -1.775 10.951 3.099 1.00 0.59 H new ATOM 0 HD13 ILE A 132 -0.755 12.206 3.843 1.00 0.59 H new ATOM 1843 N PHE A 133 1.165 10.521 -1.614 1.00 0.25 N ATOM 1844 CA PHE A 133 2.062 9.590 -2.289 1.00 0.28 C ATOM 1845 C PHE A 133 3.058 10.347 -3.164 1.00 0.26 C ATOM 1846 O PHE A 133 4.257 10.342 -2.898 1.00 0.28 O ATOM 1847 CB PHE A 133 1.253 8.601 -3.135 1.00 0.34 C ATOM 1848 CG PHE A 133 2.097 7.605 -3.878 1.00 0.36 C ATOM 1849 CD1 PHE A 133 3.022 6.825 -3.204 1.00 0.36 C ATOM 1850 CD2 PHE A 133 1.960 7.444 -5.248 1.00 0.42 C ATOM 1851 CE1 PHE A 133 3.796 5.904 -3.881 1.00 0.39 C ATOM 1852 CE2 PHE A 133 2.731 6.526 -5.931 1.00 0.46 C ATOM 1853 CZ PHE A 133 3.664 5.771 -5.254 1.00 0.44 C ATOM 0 H PHE A 133 0.180 10.405 -1.853 1.00 0.25 H new ATOM 0 HA PHE A 133 2.620 9.034 -1.536 1.00 0.28 H new ATOM 0 HB2 PHE A 133 0.561 8.064 -2.486 1.00 0.34 H new ATOM 0 HB3 PHE A 133 0.650 9.159 -3.852 1.00 0.34 H new ATOM 0 HD1 PHE A 133 3.139 6.939 -2.136 1.00 0.36 H new ATOM 0 HD2 PHE A 133 1.242 8.044 -5.787 1.00 0.42 H new ATOM 0 HE1 PHE A 133 4.502 5.289 -3.342 1.00 0.39 H new ATOM 0 HE2 PHE A 133 2.603 6.399 -6.996 1.00 0.46 H new ATOM 0 HZ PHE A 133 4.292 5.077 -5.793 1.00 0.44 H new ATOM 1863 N LEU A 134 2.549 11.050 -4.168 1.00 0.27 N ATOM 1864 CA LEU A 134 3.403 11.795 -5.090 1.00 0.34 C ATOM 1865 C LEU A 134 4.109 12.935 -4.362 1.00 0.34 C ATOM 1866 O LEU A 134 5.185 13.379 -4.760 1.00 0.43 O ATOM 1867 CB LEU A 134 2.577 12.341 -6.259 1.00 0.42 C ATOM 1868 CG LEU A 134 1.479 13.337 -5.881 1.00 0.47 C ATOM 1869 CD1 LEU A 134 1.826 14.732 -6.382 1.00 0.64 C ATOM 1870 CD2 LEU A 134 0.138 12.886 -6.440 1.00 0.59 C ATOM 0 H LEU A 134 1.551 11.121 -4.366 1.00 0.27 H new ATOM 0 HA LEU A 134 4.159 11.116 -5.485 1.00 0.34 H new ATOM 0 HB2 LEU A 134 3.253 12.823 -6.965 1.00 0.42 H new ATOM 0 HB3 LEU A 134 2.118 11.501 -6.780 1.00 0.42 H new ATOM 0 HG LEU A 134 1.405 13.373 -4.794 1.00 0.47 H new ATOM 0 HD11 LEU A 134 1.033 15.426 -6.104 1.00 0.64 H new ATOM 0 HD12 LEU A 134 2.766 15.056 -5.935 1.00 0.64 H new ATOM 0 HD13 LEU A 134 1.928 14.714 -7.467 1.00 0.64 H new ATOM 0 HD21 LEU A 134 -0.632 13.605 -6.162 1.00 0.59 H new ATOM 0 HD22 LEU A 134 0.200 12.822 -7.526 1.00 0.59 H new ATOM 0 HD23 LEU A 134 -0.115 11.907 -6.032 1.00 0.59 H new ATOM 1882 N GLN A 135 3.495 13.386 -3.278 1.00 0.29 N ATOM 1883 CA GLN A 135 4.025 14.476 -2.478 1.00 0.35 C ATOM 1884 C GLN A 135 5.359 14.104 -1.844 1.00 0.36 C ATOM 1885 O GLN A 135 6.224 14.954 -1.662 1.00 0.55 O ATOM 1886 CB GLN A 135 3.026 14.837 -1.383 1.00 0.37 C ATOM 1887 CG GLN A 135 2.460 16.241 -1.506 1.00 0.51 C ATOM 1888 CD GLN A 135 2.493 16.992 -0.190 1.00 1.06 C ATOM 1889 OE1 GLN A 135 3.185 16.594 0.750 1.00 1.43 O ATOM 1890 NE2 GLN A 135 1.749 18.083 -0.115 1.00 1.61 N ATOM 0 H GLN A 135 2.615 13.005 -2.930 1.00 0.29 H new ATOM 0 HA GLN A 135 4.187 15.330 -3.135 1.00 0.35 H new ATOM 0 HB2 GLN A 135 2.204 14.121 -1.404 1.00 0.37 H new ATOM 0 HB3 GLN A 135 3.512 14.735 -0.413 1.00 0.37 H new ATOM 0 HG2 GLN A 135 3.029 16.795 -2.252 1.00 0.51 H new ATOM 0 HG3 GLN A 135 1.432 16.186 -1.865 1.00 0.51 H new ATOM 0 HE21 GLN A 135 1.191 18.376 -0.917 1.00 1.61 H new ATOM 0 HE22 GLN A 135 1.733 18.631 0.745 1.00 1.61 H new ATOM 1899 N LYS A 136 5.514 12.839 -1.483 1.00 0.25 N ATOM 1900 CA LYS A 136 6.734 12.383 -0.839 1.00 0.26 C ATOM 1901 C LYS A 136 7.632 11.646 -1.827 1.00 0.23 C ATOM 1902 O LYS A 136 8.841 11.548 -1.629 1.00 0.25 O ATOM 1903 CB LYS A 136 6.394 11.484 0.351 1.00 0.32 C ATOM 1904 CG LYS A 136 6.330 12.231 1.673 1.00 0.54 C ATOM 1905 CD LYS A 136 5.118 13.147 1.746 1.00 0.50 C ATOM 1906 CE LYS A 136 5.488 14.528 2.270 1.00 0.63 C ATOM 1907 NZ LYS A 136 5.734 15.505 1.173 1.00 1.52 N ATOM 0 H LYS A 136 4.812 12.113 -1.625 1.00 0.25 H new ATOM 0 HA LYS A 136 7.279 13.255 -0.478 1.00 0.26 H new ATOM 0 HB2 LYS A 136 5.434 11.000 0.169 1.00 0.32 H new ATOM 0 HB3 LYS A 136 7.141 10.693 0.425 1.00 0.32 H new ATOM 0 HG2 LYS A 136 6.294 11.515 2.494 1.00 0.54 H new ATOM 0 HG3 LYS A 136 7.238 12.819 1.803 1.00 0.54 H new ATOM 0 HD2 LYS A 136 4.672 13.241 0.756 1.00 0.50 H new ATOM 0 HD3 LYS A 136 4.363 12.702 2.394 1.00 0.50 H new ATOM 0 HE2 LYS A 136 4.686 14.898 2.909 1.00 0.63 H new ATOM 0 HE3 LYS A 136 6.381 14.451 2.891 1.00 0.63 H new ATOM 0 HZ1 LYS A 136 6.309 16.293 1.533 1.00 1.52 H new ATOM 0 HZ2 LYS A 136 6.239 15.034 0.396 1.00 1.52 H new ATOM 0 HZ3 LYS A 136 4.825 15.871 0.824 1.00 1.52 H new ATOM 1921 N VAL A 137 7.036 11.145 -2.899 1.00 0.23 N ATOM 1922 CA VAL A 137 7.778 10.421 -3.920 1.00 0.25 C ATOM 1923 C VAL A 137 8.622 11.383 -4.751 1.00 0.30 C ATOM 1924 O VAL A 137 9.713 11.040 -5.207 1.00 0.33 O ATOM 1925 CB VAL A 137 6.830 9.616 -4.836 1.00 0.30 C ATOM 1926 CG1 VAL A 137 7.545 9.126 -6.083 1.00 0.35 C ATOM 1927 CG2 VAL A 137 6.238 8.441 -4.078 1.00 0.33 C ATOM 0 H VAL A 137 6.036 11.227 -3.084 1.00 0.23 H new ATOM 0 HA VAL A 137 8.440 9.717 -3.415 1.00 0.25 H new ATOM 0 HB VAL A 137 6.026 10.282 -5.150 1.00 0.30 H new ATOM 0 HG11 VAL A 137 6.848 8.564 -6.705 1.00 0.35 H new ATOM 0 HG12 VAL A 137 7.924 9.980 -6.644 1.00 0.35 H new ATOM 0 HG13 VAL A 137 8.377 8.482 -5.796 1.00 0.35 H new ATOM 0 HG21 VAL A 137 5.572 7.882 -4.735 1.00 0.33 H new ATOM 0 HG22 VAL A 137 7.040 7.788 -3.735 1.00 0.33 H new ATOM 0 HG23 VAL A 137 5.676 8.808 -3.219 1.00 0.33 H new ATOM 1937 N ALA A 138 8.130 12.606 -4.908 1.00 0.34 N ATOM 1938 CA ALA A 138 8.850 13.631 -5.650 1.00 0.43 C ATOM 1939 C ALA A 138 10.051 14.117 -4.852 1.00 0.43 C ATOM 1940 O ALA A 138 10.859 14.913 -5.332 1.00 0.50 O ATOM 1941 CB ALA A 138 7.927 14.792 -5.972 1.00 0.50 C ATOM 0 H ALA A 138 7.233 12.912 -4.530 1.00 0.34 H new ATOM 0 HA ALA A 138 9.206 13.198 -6.585 1.00 0.43 H new ATOM 0 HB1 ALA A 138 8.478 15.552 -6.527 1.00 0.50 H new ATOM 0 HB2 ALA A 138 7.092 14.436 -6.575 1.00 0.50 H new ATOM 0 HB3 ALA A 138 7.548 15.223 -5.045 1.00 0.50 H new ATOM 1947 N GLN A 139 10.148 13.642 -3.621 1.00 0.39 N ATOM 1948 CA GLN A 139 11.247 13.995 -2.742 1.00 0.43 C ATOM 1949 C GLN A 139 12.139 12.779 -2.502 1.00 0.40 C ATOM 1950 O GLN A 139 13.097 12.841 -1.730 1.00 0.45 O ATOM 1951 CB GLN A 139 10.709 14.528 -1.411 1.00 0.45 C ATOM 1952 CG GLN A 139 9.387 15.272 -1.543 1.00 0.54 C ATOM 1953 CD GLN A 139 9.028 16.072 -0.304 1.00 1.08 C ATOM 1954 OE1 GLN A 139 8.522 15.527 0.676 1.00 1.76 O ATOM 1955 NE2 GLN A 139 9.285 17.371 -0.339 1.00 1.56 N ATOM 0 H GLN A 139 9.469 13.004 -3.206 1.00 0.39 H new ATOM 0 HA GLN A 139 11.840 14.777 -3.217 1.00 0.43 H new ATOM 0 HB2 GLN A 139 10.580 13.694 -0.721 1.00 0.45 H new ATOM 0 HB3 GLN A 139 11.450 15.195 -0.970 1.00 0.45 H new ATOM 0 HG2 GLN A 139 9.439 15.944 -2.400 1.00 0.54 H new ATOM 0 HG3 GLN A 139 8.592 14.555 -1.748 1.00 0.54 H new ATOM 0 HE21 GLN A 139 9.705 17.785 -1.171 1.00 1.56 H new ATOM 0 HE22 GLN A 139 9.062 17.957 0.466 1.00 1.56 H new ATOM 1964 N MET A 140 11.803 11.672 -3.159 1.00 0.35 N ATOM 1965 CA MET A 140 12.557 10.425 -3.028 1.00 0.35 C ATOM 1966 C MET A 140 13.975 10.562 -3.587 1.00 0.40 C ATOM 1967 O MET A 140 14.211 11.328 -4.523 1.00 0.48 O ATOM 1968 CB MET A 140 11.838 9.293 -3.765 1.00 0.38 C ATOM 1969 CG MET A 140 10.823 8.555 -2.912 1.00 0.66 C ATOM 1970 SD MET A 140 11.387 6.915 -2.431 1.00 0.86 S ATOM 1971 CE MET A 140 10.313 5.902 -3.438 1.00 0.67 C ATOM 0 H MET A 140 11.006 11.612 -3.793 1.00 0.35 H new ATOM 0 HA MET A 140 12.624 10.196 -1.965 1.00 0.35 H new ATOM 0 HB2 MET A 140 11.334 9.704 -4.639 1.00 0.38 H new ATOM 0 HB3 MET A 140 12.579 8.581 -4.129 1.00 0.38 H new ATOM 0 HG2 MET A 140 10.612 9.140 -2.017 1.00 0.66 H new ATOM 0 HG3 MET A 140 9.887 8.466 -3.463 1.00 0.66 H new ATOM 0 HE1 MET A 140 10.141 4.948 -2.940 1.00 0.67 H new ATOM 0 HE2 MET A 140 9.361 6.413 -3.582 1.00 0.67 H new ATOM 0 HE3 MET A 140 10.781 5.727 -4.407 1.00 0.67 H new ATOM 1981 N PRO A 141 14.941 9.810 -3.027 1.00 0.42 N ATOM 1982 CA PRO A 141 16.315 9.818 -3.509 1.00 0.52 C ATOM 1983 C PRO A 141 16.496 8.849 -4.672 1.00 0.61 C ATOM 1984 O PRO A 141 16.874 7.689 -4.480 1.00 0.67 O ATOM 1985 CB PRO A 141 17.099 9.353 -2.283 1.00 0.55 C ATOM 1986 CG PRO A 141 16.182 8.406 -1.591 1.00 0.53 C ATOM 1987 CD PRO A 141 14.775 8.886 -1.884 1.00 0.46 C ATOM 0 HA PRO A 141 16.635 10.788 -3.889 1.00 0.52 H new ATOM 0 HB2 PRO A 141 18.031 8.865 -2.569 1.00 0.55 H new ATOM 0 HB3 PRO A 141 17.363 10.192 -1.639 1.00 0.55 H new ATOM 0 HG2 PRO A 141 16.329 7.388 -1.953 1.00 0.53 H new ATOM 0 HG3 PRO A 141 16.373 8.394 -0.518 1.00 0.53 H new ATOM 0 HD2 PRO A 141 14.115 8.056 -2.135 1.00 0.46 H new ATOM 0 HD3 PRO A 141 14.339 9.392 -1.023 1.00 0.46 H new ATOM 1995 N GLN A 142 16.236 9.333 -5.882 1.00 0.76 N ATOM 1996 CA GLN A 142 16.245 8.489 -7.075 1.00 0.94 C ATOM 1997 C GLN A 142 17.654 8.038 -7.459 1.00 0.93 C ATOM 1998 O GLN A 142 17.867 7.489 -8.537 1.00 1.17 O ATOM 1999 CB GLN A 142 15.585 9.220 -8.244 1.00 1.21 C ATOM 2000 CG GLN A 142 14.084 8.992 -8.332 1.00 1.60 C ATOM 2001 CD GLN A 142 13.727 7.765 -9.151 1.00 2.34 C ATOM 2002 OE1 GLN A 142 13.635 7.825 -10.376 1.00 2.87 O ATOM 2003 NE2 GLN A 142 13.514 6.643 -8.480 1.00 2.91 N ATOM 0 H GLN A 142 16.015 10.312 -6.064 1.00 0.76 H new ATOM 0 HA GLN A 142 15.674 7.591 -6.839 1.00 0.94 H new ATOM 0 HB2 GLN A 142 15.777 10.289 -8.149 1.00 1.21 H new ATOM 0 HB3 GLN A 142 16.049 8.894 -9.175 1.00 1.21 H new ATOM 0 HG2 GLN A 142 13.677 8.884 -7.327 1.00 1.60 H new ATOM 0 HG3 GLN A 142 13.612 9.869 -8.774 1.00 1.60 H new ATOM 0 HE21 GLN A 142 13.600 6.632 -7.464 1.00 2.91 H new ATOM 0 HE22 GLN A 142 13.264 5.790 -8.980 1.00 2.91 H new ATOM 2012 N GLU A 143 18.604 8.266 -6.570 1.00 0.80 N ATOM 2013 CA GLU A 143 19.949 7.783 -6.742 1.00 0.91 C ATOM 2014 C GLU A 143 20.020 6.347 -6.257 1.00 0.87 C ATOM 2015 O GLU A 143 20.671 5.499 -6.865 1.00 1.20 O ATOM 2016 CB GLU A 143 20.897 8.637 -5.919 1.00 1.04 C ATOM 2017 CG GLU A 143 20.491 10.094 -5.824 1.00 1.22 C ATOM 2018 CD GLU A 143 20.890 10.699 -4.496 1.00 1.94 C ATOM 2019 OE1 GLU A 143 22.068 11.082 -4.345 1.00 2.30 O ATOM 2020 OE2 GLU A 143 20.025 10.810 -3.600 1.00 2.70 O ATOM 0 H GLU A 143 18.457 8.793 -5.709 1.00 0.80 H new ATOM 0 HA GLU A 143 20.231 7.835 -7.794 1.00 0.91 H new ATOM 0 HB2 GLU A 143 20.962 8.223 -4.913 1.00 1.04 H new ATOM 0 HB3 GLU A 143 21.895 8.576 -6.354 1.00 1.04 H new ATOM 0 HG2 GLU A 143 20.956 10.655 -6.634 1.00 1.22 H new ATOM 0 HG3 GLU A 143 19.412 10.181 -5.954 1.00 1.22 H new ATOM 2027 N GLU A 144 19.316 6.107 -5.150 1.00 0.77 N ATOM 2028 CA GLU A 144 19.285 4.812 -4.481 1.00 0.77 C ATOM 2029 C GLU A 144 20.642 4.481 -3.866 1.00 0.82 C ATOM 2030 O GLU A 144 21.561 4.027 -4.548 1.00 1.16 O ATOM 2031 CB GLU A 144 18.856 3.696 -5.438 1.00 0.82 C ATOM 2032 CG GLU A 144 18.971 2.306 -4.833 1.00 1.04 C ATOM 2033 CD GLU A 144 17.691 1.518 -4.943 1.00 1.58 C ATOM 2034 OE1 GLU A 144 16.839 1.648 -4.042 1.00 2.34 O ATOM 2035 OE2 GLU A 144 17.535 0.769 -5.926 1.00 1.87 O ATOM 0 H GLU A 144 18.746 6.817 -4.690 1.00 0.77 H new ATOM 0 HA GLU A 144 18.546 4.879 -3.683 1.00 0.77 H new ATOM 0 HB2 GLU A 144 17.824 3.867 -5.744 1.00 0.82 H new ATOM 0 HB3 GLU A 144 19.468 3.744 -6.339 1.00 0.82 H new ATOM 0 HG2 GLU A 144 19.772 1.762 -5.332 1.00 1.04 H new ATOM 0 HG3 GLU A 144 19.251 2.393 -3.783 1.00 1.04 H new ATOM 2042 N VAL A 145 20.762 4.728 -2.574 1.00 0.63 N ATOM 2043 CA VAL A 145 21.962 4.371 -1.840 1.00 0.68 C ATOM 2044 C VAL A 145 21.717 3.082 -1.073 1.00 0.61 C ATOM 2045 O VAL A 145 20.965 3.077 -0.103 1.00 0.61 O ATOM 2046 CB VAL A 145 22.367 5.483 -0.849 1.00 0.78 C ATOM 2047 CG1 VAL A 145 23.772 5.248 -0.323 1.00 0.99 C ATOM 2048 CG2 VAL A 145 22.265 6.855 -1.498 1.00 0.88 C ATOM 0 H VAL A 145 20.040 5.176 -2.010 1.00 0.63 H new ATOM 0 HA VAL A 145 22.773 4.239 -2.556 1.00 0.68 H new ATOM 0 HB VAL A 145 21.674 5.452 -0.009 1.00 0.78 H new ATOM 0 HG11 VAL A 145 24.037 6.043 0.374 1.00 0.99 H new ATOM 0 HG12 VAL A 145 23.812 4.287 0.190 1.00 0.99 H new ATOM 0 HG13 VAL A 145 24.476 5.245 -1.155 1.00 0.99 H new ATOM 0 HG21 VAL A 145 22.556 7.620 -0.778 1.00 0.88 H new ATOM 0 HG22 VAL A 145 22.928 6.899 -2.362 1.00 0.88 H new ATOM 0 HG23 VAL A 145 21.238 7.030 -1.819 1.00 0.88 H new ATOM 2058 N GLU A 146 22.312 1.989 -1.523 1.00 0.66 N ATOM 2059 CA GLU A 146 22.135 0.707 -0.853 1.00 0.68 C ATOM 2060 C GLU A 146 22.766 0.759 0.532 1.00 0.72 C ATOM 2061 O GLU A 146 23.833 1.346 0.711 1.00 0.75 O ATOM 2062 CB GLU A 146 22.749 -0.432 -1.670 1.00 0.79 C ATOM 2063 CG GLU A 146 22.093 -1.781 -1.408 1.00 1.00 C ATOM 2064 CD GLU A 146 22.105 -2.690 -2.620 1.00 1.10 C ATOM 2065 OE1 GLU A 146 23.134 -3.357 -2.860 1.00 1.53 O ATOM 2066 OE2 GLU A 146 21.084 -2.753 -3.334 1.00 1.24 O ATOM 0 H GLU A 146 22.918 1.961 -2.343 1.00 0.66 H new ATOM 0 HA GLU A 146 21.067 0.514 -0.757 1.00 0.68 H new ATOM 0 HB2 GLU A 146 22.666 -0.195 -2.731 1.00 0.79 H new ATOM 0 HB3 GLU A 146 23.812 -0.502 -1.441 1.00 0.79 H new ATOM 0 HG2 GLU A 146 22.608 -2.276 -0.585 1.00 1.00 H new ATOM 0 HG3 GLU A 146 21.063 -1.622 -1.090 1.00 1.00 H new ATOM 2073 N LEU A 147 22.106 0.164 1.509 1.00 0.76 N ATOM 2074 CA LEU A 147 22.593 0.207 2.872 1.00 0.86 C ATOM 2075 C LEU A 147 23.302 -1.094 3.218 1.00 1.01 C ATOM 2076 O LEU A 147 24.270 -1.057 4.002 1.00 1.57 O ATOM 2077 CB LEU A 147 21.450 0.461 3.858 1.00 0.86 C ATOM 2078 CG LEU A 147 20.480 1.576 3.458 1.00 0.76 C ATOM 2079 CD1 LEU A 147 19.185 1.465 4.249 1.00 0.80 C ATOM 2080 CD2 LEU A 147 21.121 2.943 3.665 1.00 0.82 C ATOM 2081 OXT LEU A 147 22.884 -2.151 2.700 1.00 1.46 O ATOM 0 H LEU A 147 21.235 -0.352 1.383 1.00 0.76 H new ATOM 0 HA LEU A 147 23.301 1.032 2.952 1.00 0.86 H new ATOM 0 HB2 LEU A 147 20.885 -0.463 3.981 1.00 0.86 H new ATOM 0 HB3 LEU A 147 21.878 0.705 4.830 1.00 0.86 H new ATOM 0 HG LEU A 147 20.246 1.465 2.399 1.00 0.76 H new ATOM 0 HD11 LEU A 147 18.507 2.265 3.952 1.00 0.80 H new ATOM 0 HD12 LEU A 147 18.718 0.501 4.049 1.00 0.80 H new ATOM 0 HD13 LEU A 147 19.401 1.549 5.314 1.00 0.80 H new ATOM 0 HD21 LEU A 147 20.417 3.723 3.375 1.00 0.82 H new ATOM 0 HD22 LEU A 147 21.386 3.065 4.715 1.00 0.82 H new ATOM 0 HD23 LEU A 147 22.019 3.020 3.053 1.00 0.82 H new