USER MOD reduce.3.24.130724 H: found=0, std=0, add=521, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 526 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 68 THR OG1 : rot 5:sc= 0.82 USER MOD Set 1.2: A 70 THR OG1 : rot 71:sc= 0.93 USER MOD Set 2.1: A 35 THR OG1 : rot 175:sc= -0.45! USER MOD Set 2.2: A 52 TYR OH : rot 165:sc= 0.125 USER MOD Set 3.1: A 5 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 6 ASN :FLIP amide:sc= -2.95! C(o=-3.7!,f=-2.9!) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -0.482 X(o=-0.48,f=-0.11) USER MOD Single : A 11 TYR OH : rot -40:sc= 1.11 USER MOD Single : A 17 SER OG : rot 109:sc= -1.24 USER MOD Single : A 19 THR OG1 : rot -130:sc= -0.107 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot -140:sc= -0.345 USER MOD Single : A 23 LYS NZ :NH3+ -146:sc= 0.122 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.132 X(o=-0.13,f=-0.18) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -140:sc= 0 USER MOD Single : A 38 CYS SG : rot 180:sc= -1.44 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -152:sc= 1.29! (180deg=-0.156!) USER MOD Single : A 51 GLN : amide:sc= -0.0348 X(o=-0.035,f=-0.46) USER MOD Single : A 54 ASN : amide:sc= -0.815 X(o=-0.82,f=-0.98) USER MOD Single : A 56 ASN :FLIP amide:sc= -10.6! C(o=-12!,f=-11!) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot -3:sc= -1.17 USER MOD Single : A 69 LYS NZ :NH3+ 161:sc= 0.864 (180deg=0.75) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0544 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 11 N TYR A 2 0.652 -1.118 -3.059 1.00 4.33 N ATOM 12 CA TYR A 2 0.103 -1.977 -4.094 1.00 24.12 C ATOM 13 C TYR A 2 1.214 -2.555 -4.973 1.00 23.21 C ATOM 14 O TYR A 2 2.178 -1.863 -5.296 1.00 63.03 O ATOM 15 CB TYR A 2 -0.796 -1.084 -4.951 1.00 2.34 C ATOM 16 CG TYR A 2 -1.940 -0.427 -4.176 1.00 74.51 C ATOM 17 CD1 TYR A 2 -2.939 -1.207 -3.628 1.00 41.21 C ATOM 18 CD2 TYR A 2 -1.975 0.944 -4.025 1.00 45.14 C ATOM 19 CE1 TYR A 2 -4.016 -0.589 -2.899 1.00 72.12 C ATOM 20 CE2 TYR A 2 -3.052 1.562 -3.296 1.00 61.24 C ATOM 21 CZ TYR A 2 -4.020 0.765 -2.769 1.00 64.34 C ATOM 22 OH TYR A 2 -5.037 1.348 -2.081 1.00 11.11 O ATOM 0 HA TYR A 2 -0.438 -2.813 -3.651 1.00 24.12 H new ATOM 0 HB2 TYR A 2 -0.187 -0.305 -5.409 1.00 2.34 H new ATOM 0 HB3 TYR A 2 -1.215 -1.679 -5.762 1.00 2.34 H new ATOM 0 HD1 TYR A 2 -2.913 -2.280 -3.746 1.00 41.21 H new ATOM 0 HD2 TYR A 2 -1.194 1.554 -4.454 1.00 45.14 H new ATOM 0 HE1 TYR A 2 -4.803 -1.187 -2.465 1.00 72.12 H new ATOM 0 HE2 TYR A 2 -3.090 2.634 -3.171 1.00 61.24 H new ATOM 0 HH TYR A 2 -4.909 2.319 -2.068 1.00 11.11 H new ATOM 32 N VAL A 3 1.042 -3.818 -5.334 1.00 62.15 N ATOM 33 CA VAL A 3 2.018 -4.497 -6.170 1.00 22.02 C ATOM 34 C VAL A 3 1.319 -5.062 -7.408 1.00 13.51 C ATOM 35 O VAL A 3 0.216 -5.572 -7.384 1.00 1.00 O ATOM 36 CB VAL A 3 2.749 -5.567 -5.356 1.00 43.13 C ATOM 37 CG1 VAL A 3 2.053 -6.923 -5.483 1.00 70.33 C ATOM 38 CG2 VAL A 3 4.218 -5.664 -5.773 1.00 4.55 C ATOM 0 H VAL A 3 0.242 -4.389 -5.063 1.00 62.15 H new ATOM 0 HA VAL A 3 2.777 -3.796 -6.517 1.00 22.02 H new ATOM 0 HB VAL A 3 2.717 -5.271 -4.308 1.00 43.13 H new ATOM 0 HG11 VAL A 3 2.593 -7.665 -4.895 1.00 70.33 H new ATOM 0 HG12 VAL A 3 1.030 -6.843 -5.115 1.00 70.33 H new ATOM 0 HG13 VAL A 3 2.040 -7.229 -6.529 1.00 70.33 H new ATOM 0 HG21 VAL A 3 4.715 -6.431 -5.179 1.00 4.55 H new ATOM 0 HG22 VAL A 3 4.280 -5.926 -6.829 1.00 4.55 H new ATOM 0 HG23 VAL A 3 4.707 -4.704 -5.608 1.00 4.55 H new ATOM 48 N ASP A 4 1.995 -4.959 -8.518 1.00 44.43 N ATOM 49 CA ASP A 4 1.425 -5.477 -9.794 1.00 13.14 C ATOM 50 C ASP A 4 2.092 -6.805 -10.164 1.00 62.41 C ATOM 51 O ASP A 4 3.313 -6.890 -10.043 1.00 3.33 O ATOM 52 CB ASP A 4 1.747 -4.405 -10.836 1.00 33.24 C ATOM 53 CG ASP A 4 1.177 -4.823 -12.192 1.00 61.11 C ATOM 54 OD1 ASP A 4 0.554 -5.871 -12.254 1.00 51.43 O ATOM 55 OD2 ASP A 4 1.374 -4.090 -13.148 1.00 22.51 O ATOM 0 H ASP A 4 2.920 -4.537 -8.597 1.00 44.43 H new ATOM 0 HA ASP A 4 0.354 -5.666 -9.724 1.00 13.14 H new ATOM 0 HB2 ASP A 4 1.324 -3.448 -10.531 1.00 33.24 H new ATOM 0 HB3 ASP A 4 2.826 -4.267 -10.910 1.00 33.24 H new ATOM 60 N THR A 5 1.311 -7.787 -10.590 1.00 31.12 N ATOM 61 CA THR A 5 1.865 -9.079 -10.956 1.00 60.40 C ATOM 62 C THR A 5 1.860 -9.250 -12.476 1.00 72.34 C ATOM 63 O THR A 5 1.983 -10.366 -12.980 1.00 3.13 O ATOM 64 CB THR A 5 1.070 -10.160 -10.220 1.00 64.23 C ATOM 65 OG1 THR A 5 -0.253 -10.025 -10.730 1.00 74.41 O ATOM 66 CG2 THR A 5 0.926 -9.866 -8.726 1.00 10.31 C ATOM 0 H THR A 5 0.299 -7.714 -10.690 1.00 31.12 H new ATOM 0 HA THR A 5 2.909 -9.161 -10.655 1.00 60.40 H new ATOM 0 HB THR A 5 1.559 -11.125 -10.354 1.00 64.23 H new ATOM 0 HG1 THR A 5 -0.836 -10.690 -10.307 1.00 74.41 H new ATOM 0 HG21 THR A 5 0.354 -10.664 -8.252 1.00 10.31 H new ATOM 0 HG22 THR A 5 1.914 -9.807 -8.270 1.00 10.31 H new ATOM 0 HG23 THR A 5 0.407 -8.917 -8.590 1.00 10.31 H new ATOM 74 N ASN A 6 1.716 -8.128 -13.165 1.00 54.04 N ATOM 75 CA ASN A 6 1.693 -8.139 -14.618 1.00 73.43 C ATOM 76 C ASN A 6 2.961 -7.469 -15.149 1.00 64.23 C ATOM 77 O ASN A 6 3.397 -7.753 -16.264 1.00 44.30 O ATOM 78 CB ASN A 6 0.488 -7.365 -15.156 1.00 41.42 C ATOM 79 CG ASN A 6 -0.764 -7.652 -14.326 1.00 32.14 C ATOM 80 OD1 ASN A 6 -0.830 -8.896 -13.859 1.00 64.23 O flip ATOM 81 ND2 ASN A 6 -1.615 -6.801 -14.122 1.00 2.45 N flip ATOM 0 H ASN A 6 1.614 -7.205 -12.744 1.00 54.04 H new ATOM 0 HA ASN A 6 1.630 -9.177 -14.946 1.00 73.43 H new ATOM 0 HB2 ASN A 6 0.702 -6.296 -15.140 1.00 41.42 H new ATOM 0 HB3 ASN A 6 0.310 -7.639 -16.196 1.00 41.42 H new ATOM 0 HD21 ASN A 6 -1.503 -5.864 -14.510 1.00 2.45 H new ATOM 0 HD22 ASN A 6 -2.438 -7.027 -13.563 1.00 2.45 H new ATOM 88 N ASN A 7 3.518 -6.593 -14.326 1.00 43.02 N ATOM 89 CA ASN A 7 4.728 -5.880 -14.699 1.00 63.21 C ATOM 90 C ASN A 7 4.361 -4.691 -15.589 1.00 12.12 C ATOM 91 O ASN A 7 5.145 -4.287 -16.446 1.00 1.52 O ATOM 92 CB ASN A 7 5.679 -6.784 -15.487 1.00 3.45 C ATOM 93 CG ASN A 7 7.122 -6.287 -15.379 1.00 44.21 C ATOM 94 OD1 ASN A 7 7.804 -6.063 -16.366 1.00 23.02 O ATOM 95 ND2 ASN A 7 7.548 -6.128 -14.129 1.00 40.53 N ATOM 0 H ASN A 7 3.154 -6.361 -13.402 1.00 43.02 H new ATOM 0 HA ASN A 7 5.219 -5.549 -13.784 1.00 63.21 H new ATOM 0 HB2 ASN A 7 5.613 -7.804 -15.110 1.00 3.45 H new ATOM 0 HB3 ASN A 7 5.377 -6.811 -16.534 1.00 3.45 H new ATOM 0 HD21 ASN A 7 8.497 -5.800 -13.952 1.00 40.53 H new ATOM 0 HD22 ASN A 7 6.925 -6.334 -13.348 1.00 40.53 H new ATOM 102 N ASP A 8 3.168 -4.164 -15.355 1.00 31.13 N ATOM 103 CA ASP A 8 2.687 -3.029 -16.124 1.00 71.32 C ATOM 104 C ASP A 8 2.676 -1.784 -15.236 1.00 12.15 C ATOM 105 O ASP A 8 2.007 -0.800 -15.548 1.00 35.24 O ATOM 106 CB ASP A 8 1.260 -3.267 -16.623 1.00 2.11 C ATOM 107 CG ASP A 8 0.219 -3.488 -15.523 1.00 64.25 C ATOM 108 OD1 ASP A 8 0.163 -2.631 -14.615 1.00 74.40 O ATOM 109 OD2 ASP A 8 -0.496 -4.509 -15.616 1.00 61.13 O ATOM 0 H ASP A 8 2.520 -4.502 -14.643 1.00 31.13 H new ATOM 0 HA ASP A 8 3.350 -2.895 -16.978 1.00 71.32 H new ATOM 0 HB2 ASP A 8 0.954 -2.411 -17.225 1.00 2.11 H new ATOM 0 HB3 ASP A 8 1.261 -4.136 -17.281 1.00 2.11 H new ATOM 114 N GLY A 9 3.425 -1.867 -14.146 1.00 10.11 N ATOM 115 CA GLY A 9 3.510 -0.759 -13.210 1.00 12.22 C ATOM 116 C GLY A 9 2.146 -0.090 -13.027 1.00 31.03 C ATOM 117 O GLY A 9 2.051 1.136 -12.992 1.00 24.13 O ATOM 0 H GLY A 9 3.979 -2.685 -13.890 1.00 10.11 H new ATOM 0 HA2 GLY A 9 3.875 -1.118 -12.248 1.00 12.22 H new ATOM 0 HA3 GLY A 9 4.232 -0.027 -13.572 1.00 12.22 H new ATOM 121 N ALA A 10 1.123 -0.925 -12.915 1.00 24.13 N ATOM 122 CA ALA A 10 -0.231 -0.430 -12.736 1.00 70.11 C ATOM 123 C ALA A 10 -1.000 -1.381 -11.816 1.00 43.13 C ATOM 124 O ALA A 10 -0.876 -2.599 -11.934 1.00 22.04 O ATOM 125 CB ALA A 10 -0.901 -0.272 -14.102 1.00 52.33 C ATOM 0 H ALA A 10 1.205 -1.941 -12.945 1.00 24.13 H new ATOM 0 HA ALA A 10 -0.221 0.551 -12.262 1.00 70.11 H new ATOM 0 HB1 ALA A 10 -1.917 0.099 -13.968 1.00 52.33 H new ATOM 0 HB2 ALA A 10 -0.333 0.435 -14.706 1.00 52.33 H new ATOM 0 HB3 ALA A 10 -0.931 -1.238 -14.606 1.00 52.33 H new ATOM 131 N TYR A 11 -1.777 -0.788 -10.922 1.00 23.23 N ATOM 132 CA TYR A 11 -2.565 -1.567 -9.982 1.00 74.23 C ATOM 133 C TYR A 11 -4.016 -1.688 -10.452 1.00 54.25 C ATOM 134 O TYR A 11 -4.720 -0.686 -10.569 1.00 13.21 O ATOM 135 CB TYR A 11 -2.532 -0.795 -8.662 1.00 32.21 C ATOM 136 CG TYR A 11 -1.122 -0.535 -8.128 1.00 71.14 C ATOM 137 CD1 TYR A 11 -0.212 -1.570 -8.051 1.00 1.22 C ATOM 138 CD2 TYR A 11 -0.760 0.734 -7.725 1.00 31.02 C ATOM 139 CE1 TYR A 11 1.115 -1.325 -7.549 1.00 24.13 C ATOM 140 CE2 TYR A 11 0.567 0.979 -7.223 1.00 22.32 C ATOM 141 CZ TYR A 11 1.439 -0.063 -7.160 1.00 4.14 C ATOM 142 OH TYR A 11 2.693 0.168 -6.685 1.00 50.24 O ATOM 0 H TYR A 11 -1.878 0.223 -10.829 1.00 23.23 H new ATOM 0 HA TYR A 11 -2.162 -2.575 -9.887 1.00 74.23 H new ATOM 0 HB2 TYR A 11 -3.039 0.160 -8.799 1.00 32.21 H new ATOM 0 HB3 TYR A 11 -3.096 -1.351 -7.913 1.00 32.21 H new ATOM 0 HD1 TYR A 11 -0.495 -2.563 -8.367 1.00 1.22 H new ATOM 0 HD2 TYR A 11 -1.472 1.544 -7.786 1.00 31.02 H new ATOM 0 HE1 TYR A 11 1.837 -2.126 -7.483 1.00 24.13 H new ATOM 0 HE2 TYR A 11 0.863 1.967 -6.904 1.00 22.32 H new ATOM 0 HH TYR A 11 2.973 -0.584 -6.122 1.00 50.24 H new ATOM 152 N GLU A 12 -4.421 -2.923 -10.710 1.00 2.00 N ATOM 153 CA GLU A 12 -5.775 -3.188 -11.165 1.00 12.52 C ATOM 154 C GLU A 12 -6.146 -4.649 -10.907 1.00 63.51 C ATOM 155 O GLU A 12 -5.540 -5.557 -11.476 1.00 0.52 O ATOM 156 CB GLU A 12 -5.935 -2.834 -12.645 1.00 35.03 C ATOM 157 CG GLU A 12 -5.236 -3.865 -13.534 1.00 13.35 C ATOM 158 CD GLU A 12 -3.802 -4.113 -13.061 1.00 74.12 C ATOM 159 OE1 GLU A 12 -3.101 -3.106 -12.824 1.00 65.32 O ATOM 160 OE2 GLU A 12 -3.441 -5.304 -12.948 1.00 24.32 O ATOM 0 H GLU A 12 -3.834 -3.752 -10.612 1.00 2.00 H new ATOM 0 HA GLU A 12 -6.458 -2.555 -10.598 1.00 12.52 H new ATOM 0 HB2 GLU A 12 -6.994 -2.788 -12.899 1.00 35.03 H new ATOM 0 HB3 GLU A 12 -5.519 -1.844 -12.833 1.00 35.03 H new ATOM 0 HG2 GLU A 12 -5.794 -4.801 -13.520 1.00 13.35 H new ATOM 0 HG3 GLU A 12 -5.227 -3.514 -14.566 1.00 13.35 H new ATOM 167 N GLY A 13 -7.139 -4.833 -10.049 1.00 43.34 N ATOM 168 CA GLY A 13 -7.597 -6.169 -9.709 1.00 60.04 C ATOM 169 C GLY A 13 -7.159 -6.556 -8.295 1.00 42.24 C ATOM 170 O GLY A 13 -7.518 -5.889 -7.326 1.00 44.12 O ATOM 0 H GLY A 13 -7.639 -4.078 -9.579 1.00 43.34 H new ATOM 0 HA2 GLY A 13 -8.684 -6.214 -9.782 1.00 60.04 H new ATOM 0 HA3 GLY A 13 -7.199 -6.887 -10.426 1.00 60.04 H new ATOM 174 N ASP A 14 -6.389 -7.632 -8.222 1.00 52.14 N ATOM 175 CA ASP A 14 -5.898 -8.115 -6.943 1.00 72.42 C ATOM 176 C ASP A 14 -4.721 -7.248 -6.493 1.00 63.50 C ATOM 177 O ASP A 14 -4.345 -7.265 -5.322 1.00 21.21 O ATOM 178 CB ASP A 14 -5.407 -9.560 -7.052 1.00 70.23 C ATOM 179 CG ASP A 14 -4.994 -10.205 -5.727 1.00 54.24 C ATOM 180 OD1 ASP A 14 -3.802 -10.428 -5.470 1.00 33.41 O ATOM 181 OD2 ASP A 14 -5.969 -10.484 -4.930 1.00 74.43 O ATOM 0 H ASP A 14 -6.093 -8.183 -9.028 1.00 52.14 H new ATOM 0 HA ASP A 14 -6.718 -8.066 -6.226 1.00 72.42 H new ATOM 0 HB2 ASP A 14 -6.196 -10.163 -7.502 1.00 70.23 H new ATOM 0 HB3 ASP A 14 -4.557 -9.588 -7.733 1.00 70.23 H new ATOM 187 N GLU A 15 -4.171 -6.511 -7.447 1.00 32.40 N ATOM 188 CA GLU A 15 -3.044 -5.639 -7.163 1.00 60.43 C ATOM 189 C GLU A 15 -3.474 -4.501 -6.235 1.00 63.34 C ATOM 190 O GLU A 15 -2.634 -3.764 -5.722 1.00 2.05 O ATOM 191 CB GLU A 15 -2.435 -5.093 -8.456 1.00 1.41 C ATOM 192 CG GLU A 15 -2.101 -6.227 -9.427 1.00 40.53 C ATOM 193 CD GLU A 15 -1.941 -5.697 -10.854 1.00 33.21 C ATOM 194 OE1 GLU A 15 -2.073 -4.465 -11.020 1.00 72.32 O ATOM 195 OE2 GLU A 15 -1.691 -6.536 -11.746 1.00 22.31 O ATOM 0 H GLU A 15 -4.485 -6.500 -8.417 1.00 32.40 H new ATOM 0 HA GLU A 15 -2.276 -6.223 -6.657 1.00 60.43 H new ATOM 0 HB2 GLU A 15 -3.133 -4.400 -8.927 1.00 1.41 H new ATOM 0 HB3 GLU A 15 -1.531 -4.528 -8.226 1.00 1.41 H new ATOM 0 HG2 GLU A 15 -1.181 -6.720 -9.113 1.00 40.53 H new ATOM 0 HG3 GLU A 15 -2.891 -6.978 -9.400 1.00 40.53 H new ATOM 202 N LEU A 16 -4.781 -4.394 -6.049 1.00 60.00 N ATOM 203 CA LEU A 16 -5.332 -3.358 -5.192 1.00 33.20 C ATOM 204 C LEU A 16 -5.950 -4.005 -3.951 1.00 12.24 C ATOM 205 O LEU A 16 -6.851 -3.438 -3.334 1.00 53.14 O ATOM 206 CB LEU A 16 -6.307 -2.477 -5.976 1.00 4.42 C ATOM 207 CG LEU A 16 -5.724 -1.745 -7.186 1.00 43.43 C ATOM 208 CD1 LEU A 16 -6.802 -1.481 -8.239 1.00 50.11 C ATOM 209 CD2 LEU A 16 -5.013 -0.459 -6.760 1.00 2.25 C ATOM 0 H LEU A 16 -5.475 -5.007 -6.477 1.00 60.00 H new ATOM 0 HA LEU A 16 -4.543 -2.690 -4.845 1.00 33.20 H new ATOM 0 HB2 LEU A 16 -7.135 -3.099 -6.317 1.00 4.42 H new ATOM 0 HB3 LEU A 16 -6.725 -1.736 -5.295 1.00 4.42 H new ATOM 0 HG LEU A 16 -4.975 -2.390 -7.646 1.00 43.43 H new ATOM 0 HD11 LEU A 16 -6.361 -0.960 -9.088 1.00 50.11 H new ATOM 0 HD12 LEU A 16 -7.223 -2.429 -8.574 1.00 50.11 H new ATOM 0 HD13 LEU A 16 -7.591 -0.866 -7.806 1.00 50.11 H new ATOM 0 HD21 LEU A 16 -4.608 0.041 -7.640 1.00 2.25 H new ATOM 0 HD22 LEU A 16 -5.723 0.201 -6.262 1.00 2.25 H new ATOM 0 HD23 LEU A 16 -4.201 -0.702 -6.075 1.00 2.25 H new ATOM 221 N SER A 17 -5.441 -5.183 -3.621 1.00 12.33 N ATOM 222 CA SER A 17 -5.932 -5.913 -2.464 1.00 2.50 C ATOM 223 C SER A 17 -5.144 -5.507 -1.217 1.00 12.24 C ATOM 224 O SER A 17 -5.623 -5.670 -0.095 1.00 61.13 O ATOM 225 CB SER A 17 -5.835 -7.423 -2.685 1.00 33.45 C ATOM 226 OG SER A 17 -6.281 -7.803 -3.984 1.00 2.31 O ATOM 0 H SER A 17 -4.694 -5.650 -4.134 1.00 12.33 H new ATOM 0 HA SER A 17 -6.983 -5.661 -2.320 1.00 2.50 H new ATOM 0 HB2 SER A 17 -4.802 -7.744 -2.548 1.00 33.45 H new ATOM 0 HB3 SER A 17 -6.431 -7.938 -1.932 1.00 33.45 H new ATOM 0 HG SER A 17 -5.512 -8.075 -4.527 1.00 2.31 H new ATOM 232 N GLY A 18 -3.949 -4.986 -1.454 1.00 14.32 N ATOM 233 CA GLY A 18 -3.091 -4.555 -0.363 1.00 63.45 C ATOM 234 C GLY A 18 -1.787 -5.356 -0.343 1.00 72.41 C ATOM 235 O GLY A 18 -1.809 -6.586 -0.385 1.00 10.52 O ATOM 0 H GLY A 18 -3.555 -4.853 -2.385 1.00 14.32 H new ATOM 0 HA2 GLY A 18 -2.868 -3.493 -0.468 1.00 63.45 H new ATOM 0 HA3 GLY A 18 -3.613 -4.679 0.586 1.00 63.45 H new ATOM 239 N THR A 19 -0.683 -4.627 -0.279 1.00 61.20 N ATOM 240 CA THR A 19 0.628 -5.254 -0.253 1.00 34.43 C ATOM 241 C THR A 19 1.411 -4.802 0.981 1.00 15.05 C ATOM 242 O THR A 19 0.936 -3.967 1.750 1.00 23.24 O ATOM 243 CB THR A 19 1.333 -4.932 -1.572 1.00 12.35 C ATOM 244 OG1 THR A 19 0.276 -4.881 -2.527 1.00 4.14 O ATOM 245 CG2 THR A 19 2.220 -6.080 -2.058 1.00 14.04 C ATOM 0 H THR A 19 -0.669 -3.608 -0.244 1.00 61.20 H new ATOM 0 HA THR A 19 0.546 -6.338 -0.168 1.00 34.43 H new ATOM 0 HB THR A 19 1.938 -4.033 -1.450 1.00 12.35 H new ATOM 0 HG1 THR A 19 0.507 -5.436 -3.301 1.00 4.14 H new ATOM 0 HG21 THR A 19 2.696 -5.799 -2.997 1.00 14.04 H new ATOM 0 HG22 THR A 19 2.986 -6.289 -1.311 1.00 14.04 H new ATOM 0 HG23 THR A 19 1.611 -6.970 -2.212 1.00 14.04 H new ATOM 253 N MET A 20 2.596 -5.373 1.133 1.00 64.15 N ATOM 254 CA MET A 20 3.450 -5.039 2.260 1.00 32.12 C ATOM 255 C MET A 20 4.806 -4.514 1.785 1.00 61.21 C ATOM 256 O MET A 20 5.454 -5.132 0.942 1.00 62.42 O ATOM 257 CB MET A 20 3.659 -6.282 3.128 1.00 13.31 C ATOM 258 CG MET A 20 2.321 -6.835 3.624 1.00 23.12 C ATOM 259 SD MET A 20 2.602 -8.164 4.782 1.00 24.11 S ATOM 260 CE MET A 20 1.222 -7.912 5.885 1.00 55.13 C ATOM 0 H MET A 20 2.986 -6.066 0.494 1.00 64.15 H new ATOM 0 HA MET A 20 2.963 -4.256 2.841 1.00 32.12 H new ATOM 0 HB2 MET A 20 4.183 -7.047 2.554 1.00 13.31 H new ATOM 0 HB3 MET A 20 4.292 -6.033 3.980 1.00 13.31 H new ATOM 0 HG2 MET A 20 1.745 -6.042 4.101 1.00 23.12 H new ATOM 0 HG3 MET A 20 1.732 -7.195 2.781 1.00 23.12 H new ATOM 0 HE1 MET A 20 1.245 -8.663 6.675 1.00 55.13 H new ATOM 0 HE2 MET A 20 1.287 -6.918 6.328 1.00 55.13 H new ATOM 0 HE3 MET A 20 0.290 -8.001 5.327 1.00 55.13 H new ATOM 270 N GLU A 21 5.195 -3.379 2.346 1.00 1.13 N ATOM 271 CA GLU A 21 6.463 -2.764 1.990 1.00 15.24 C ATOM 272 C GLU A 21 7.495 -2.999 3.095 1.00 42.14 C ATOM 273 O GLU A 21 7.257 -2.664 4.254 1.00 73.11 O ATOM 274 CB GLU A 21 6.288 -1.270 1.712 1.00 12.53 C ATOM 275 CG GLU A 21 7.624 -0.532 1.819 1.00 61.02 C ATOM 276 CD GLU A 21 7.960 -0.214 3.277 1.00 23.32 C ATOM 277 OE1 GLU A 21 7.052 0.042 4.081 1.00 13.12 O ATOM 278 OE2 GLU A 21 9.217 -0.241 3.565 1.00 25.33 O ATOM 0 H GLU A 21 4.655 -2.869 3.045 1.00 1.13 H new ATOM 0 HA GLU A 21 6.827 -3.230 1.074 1.00 15.24 H new ATOM 0 HB2 GLU A 21 5.869 -1.129 0.716 1.00 12.53 H new ATOM 0 HB3 GLU A 21 5.576 -0.846 2.420 1.00 12.53 H new ATOM 0 HG2 GLU A 21 8.416 -1.142 1.384 1.00 61.02 H new ATOM 0 HG3 GLU A 21 7.580 0.392 1.242 1.00 61.02 H new ATOM 286 N TYR A 22 8.621 -3.573 2.696 1.00 53.13 N ATOM 287 CA TYR A 22 9.691 -3.857 3.637 1.00 14.30 C ATOM 288 C TYR A 22 10.949 -3.058 3.294 1.00 44.44 C ATOM 289 O TYR A 22 11.204 -2.765 2.126 1.00 23.43 O ATOM 290 CB TYR A 22 9.994 -5.349 3.493 1.00 33.44 C ATOM 291 CG TYR A 22 8.749 -6.239 3.486 1.00 61.10 C ATOM 292 CD1 TYR A 22 8.024 -6.402 2.323 1.00 62.11 C ATOM 293 CD2 TYR A 22 8.351 -6.879 4.642 1.00 1.25 C ATOM 294 CE1 TYR A 22 6.853 -7.240 2.316 1.00 52.50 C ATOM 295 CE2 TYR A 22 7.180 -7.716 4.635 1.00 34.25 C ATOM 296 CZ TYR A 22 6.488 -7.855 3.473 1.00 63.24 C ATOM 297 OH TYR A 22 5.382 -8.646 3.466 1.00 71.10 O ATOM 0 H TYR A 22 8.815 -3.849 1.733 1.00 53.13 H new ATOM 0 HA TYR A 22 9.393 -3.587 4.650 1.00 14.30 H new ATOM 0 HB2 TYR A 22 10.548 -5.509 2.568 1.00 33.44 H new ATOM 0 HB3 TYR A 22 10.644 -5.658 4.311 1.00 33.44 H new ATOM 0 HD1 TYR A 22 8.335 -5.901 1.418 1.00 62.11 H new ATOM 0 HD2 TYR A 22 8.918 -6.752 5.552 1.00 1.25 H new ATOM 0 HE1 TYR A 22 6.278 -7.377 1.412 1.00 52.50 H new ATOM 0 HE2 TYR A 22 6.858 -8.222 5.533 1.00 34.25 H new ATOM 0 HH TYR A 22 4.877 -8.509 4.294 1.00 71.10 H new ATOM 307 N LYS A 23 11.703 -2.727 4.332 1.00 41.33 N ATOM 308 CA LYS A 23 12.929 -1.967 4.155 1.00 61.14 C ATOM 309 C LYS A 23 14.129 -2.911 4.262 1.00 13.30 C ATOM 310 O LYS A 23 14.376 -3.488 5.320 1.00 43.23 O ATOM 311 CB LYS A 23 12.979 -0.794 5.136 1.00 23.41 C ATOM 312 CG LYS A 23 13.699 0.406 4.519 1.00 2.51 C ATOM 313 CD LYS A 23 14.369 1.258 5.599 1.00 11.52 C ATOM 314 CE LYS A 23 14.496 2.715 5.148 1.00 63.10 C ATOM 315 NZ LYS A 23 15.029 3.553 6.245 1.00 24.34 N ATOM 0 H LYS A 23 11.489 -2.971 5.299 1.00 41.33 H new ATOM 0 HA LYS A 23 12.961 -1.522 3.161 1.00 61.14 H new ATOM 0 HB2 LYS A 23 11.966 -0.509 5.419 1.00 23.41 H new ATOM 0 HB3 LYS A 23 13.491 -1.100 6.048 1.00 23.41 H new ATOM 0 HG2 LYS A 23 14.448 0.059 3.808 1.00 2.51 H new ATOM 0 HG3 LYS A 23 12.987 1.014 3.961 1.00 2.51 H new ATOM 0 HD2 LYS A 23 13.787 1.208 6.520 1.00 11.52 H new ATOM 0 HD3 LYS A 23 15.357 0.856 5.824 1.00 11.52 H new ATOM 0 HE2 LYS A 23 15.155 2.778 4.282 1.00 63.10 H new ATOM 0 HE3 LYS A 23 13.522 3.091 4.835 1.00 63.10 H new ATOM 0 HZ1 LYS A 23 14.606 4.502 6.194 1.00 24.34 H new ATOM 0 HZ2 LYS A 23 14.794 3.118 7.160 1.00 24.34 H new ATOM 0 HZ3 LYS A 23 16.062 3.630 6.153 1.00 24.34 H new ATOM 328 N LEU A 24 14.842 -3.038 3.153 1.00 74.44 N ATOM 329 CA LEU A 24 16.009 -3.902 3.109 1.00 63.23 C ATOM 330 C LEU A 24 17.267 -3.066 3.355 1.00 15.24 C ATOM 331 O LEU A 24 17.620 -2.215 2.541 1.00 51.23 O ATOM 332 CB LEU A 24 16.043 -4.691 1.798 1.00 30.44 C ATOM 333 CG LEU A 24 17.301 -5.526 1.550 1.00 3.40 C ATOM 334 CD1 LEU A 24 18.338 -4.730 0.755 1.00 62.03 C ATOM 335 CD2 LEU A 24 17.874 -6.059 2.865 1.00 74.53 C ATOM 0 H LEU A 24 14.634 -2.557 2.278 1.00 74.44 H new ATOM 0 HA LEU A 24 15.960 -4.648 3.902 1.00 63.23 H new ATOM 0 HB2 LEU A 24 15.179 -5.356 1.775 1.00 30.44 H new ATOM 0 HB3 LEU A 24 15.928 -3.989 0.972 1.00 30.44 H new ATOM 0 HG LEU A 24 17.024 -6.390 0.946 1.00 3.40 H new ATOM 0 HD11 LEU A 24 19.223 -5.346 0.592 1.00 62.03 H new ATOM 0 HD12 LEU A 24 17.915 -4.441 -0.207 1.00 62.03 H new ATOM 0 HD13 LEU A 24 18.616 -3.836 1.313 1.00 62.03 H new ATOM 0 HD21 LEU A 24 18.767 -6.649 2.660 1.00 74.53 H new ATOM 0 HD22 LEU A 24 18.132 -5.223 3.515 1.00 74.53 H new ATOM 0 HD23 LEU A 24 17.131 -6.685 3.358 1.00 74.53 H new ATOM 347 N ILE A 25 17.907 -3.337 4.483 1.00 64.43 N ATOM 348 CA ILE A 25 19.118 -2.621 4.847 1.00 53.51 C ATOM 349 C ILE A 25 20.308 -3.580 4.796 1.00 23.14 C ATOM 350 O ILE A 25 20.307 -4.613 5.465 1.00 52.41 O ATOM 351 CB ILE A 25 18.943 -1.927 6.200 1.00 64.42 C ATOM 352 CG1 ILE A 25 17.790 -0.923 6.157 1.00 71.13 C ATOM 353 CG2 ILE A 25 20.252 -1.279 6.656 1.00 53.40 C ATOM 354 CD1 ILE A 25 16.861 -1.103 7.359 1.00 72.31 C ATOM 0 H ILE A 25 17.610 -4.043 5.157 1.00 64.43 H new ATOM 0 HA ILE A 25 19.320 -1.825 4.130 1.00 53.51 H new ATOM 0 HB ILE A 25 18.682 -2.683 6.941 1.00 64.42 H new ATOM 0 HG12 ILE A 25 18.187 0.092 6.149 1.00 71.13 H new ATOM 0 HG13 ILE A 25 17.225 -1.052 5.234 1.00 71.13 H new ATOM 0 HG21 ILE A 25 20.101 -0.793 7.620 1.00 53.40 H new ATOM 0 HG22 ILE A 25 21.022 -2.044 6.752 1.00 53.40 H new ATOM 0 HG23 ILE A 25 20.567 -0.538 5.921 1.00 53.40 H new ATOM 0 HD11 ILE A 25 16.050 -0.377 7.304 1.00 72.31 H new ATOM 0 HD12 ILE A 25 16.447 -2.111 7.351 1.00 72.31 H new ATOM 0 HD13 ILE A 25 17.424 -0.949 8.280 1.00 72.31 H new ATOM 366 N LEU A 26 21.296 -3.205 3.997 1.00 2.01 N ATOM 367 CA LEU A 26 22.491 -4.019 3.851 1.00 74.44 C ATOM 368 C LEU A 26 23.686 -3.277 4.452 1.00 34.22 C ATOM 369 O LEU A 26 24.127 -2.264 3.913 1.00 40.32 O ATOM 370 CB LEU A 26 22.689 -4.421 2.388 1.00 41.04 C ATOM 371 CG LEU A 26 21.414 -4.697 1.589 1.00 54.53 C ATOM 372 CD1 LEU A 26 20.924 -3.430 0.884 1.00 13.01 C ATOM 373 CD2 LEU A 26 21.619 -5.854 0.610 1.00 62.14 C ATOM 0 H LEU A 26 21.294 -2.348 3.444 1.00 2.01 H new ATOM 0 HA LEU A 26 22.386 -4.953 4.403 1.00 74.44 H new ATOM 0 HB2 LEU A 26 23.244 -3.628 1.886 1.00 41.04 H new ATOM 0 HB3 LEU A 26 23.313 -5.314 2.359 1.00 41.04 H new ATOM 0 HG LEU A 26 20.633 -5.001 2.287 1.00 54.53 H new ATOM 0 HD11 LEU A 26 20.017 -3.654 0.323 1.00 13.01 H new ATOM 0 HD12 LEU A 26 20.712 -2.660 1.626 1.00 13.01 H new ATOM 0 HD13 LEU A 26 21.694 -3.073 0.200 1.00 13.01 H new ATOM 0 HD21 LEU A 26 20.697 -6.029 0.055 1.00 62.14 H new ATOM 0 HD22 LEU A 26 22.420 -5.604 -0.086 1.00 62.14 H new ATOM 0 HD23 LEU A 26 21.886 -6.755 1.162 1.00 62.14 H new ATOM 385 N ASN A 27 24.175 -3.811 5.562 1.00 43.23 N ATOM 386 CA ASN A 27 25.311 -3.212 6.242 1.00 13.44 C ATOM 387 C ASN A 27 26.570 -4.025 5.937 1.00 20.35 C ATOM 388 O ASN A 27 26.795 -5.075 6.537 1.00 23.31 O ATOM 389 CB ASN A 27 25.105 -3.209 7.758 1.00 1.04 C ATOM 390 CG ASN A 27 24.592 -1.850 8.240 1.00 74.52 C ATOM 391 OD1 ASN A 27 25.149 -0.807 7.944 1.00 43.54 O ATOM 392 ND2 ASN A 27 23.500 -1.922 8.997 1.00 43.14 N ATOM 0 H ASN A 27 23.806 -4.651 6.007 1.00 43.23 H new ATOM 0 HA ASN A 27 25.413 -2.186 5.889 1.00 13.44 H new ATOM 0 HB2 ASN A 27 24.394 -3.988 8.033 1.00 1.04 H new ATOM 0 HB3 ASN A 27 26.045 -3.444 8.257 1.00 1.04 H new ATOM 0 HD21 ASN A 27 23.079 -1.070 9.367 1.00 43.14 H new ATOM 0 HD22 ASN A 27 23.084 -2.829 9.207 1.00 43.14 H new ATOM 399 N GLY A 28 27.358 -3.509 5.006 1.00 71.45 N ATOM 400 CA GLY A 28 28.589 -4.175 4.614 1.00 53.13 C ATOM 401 C GLY A 28 29.757 -3.187 4.571 1.00 35.34 C ATOM 402 O GLY A 28 29.559 -1.997 4.334 1.00 50.31 O ATOM 0 H GLY A 28 27.168 -2.637 4.511 1.00 71.45 H new ATOM 0 HA2 GLY A 28 28.812 -4.977 5.317 1.00 53.13 H new ATOM 0 HA3 GLY A 28 28.461 -4.636 3.634 1.00 53.13 H new ATOM 406 N LYS A 29 30.948 -3.718 4.805 1.00 34.33 N ATOM 407 CA LYS A 29 32.147 -2.898 4.797 1.00 63.41 C ATOM 408 C LYS A 29 32.437 -2.441 3.366 1.00 64.42 C ATOM 409 O LYS A 29 32.890 -1.319 3.149 1.00 41.53 O ATOM 410 CB LYS A 29 33.311 -3.645 5.452 1.00 41.01 C ATOM 411 CG LYS A 29 32.877 -4.287 6.771 1.00 24.31 C ATOM 412 CD LYS A 29 32.230 -3.255 7.697 1.00 71.24 C ATOM 413 CE LYS A 29 30.704 -3.334 7.623 1.00 33.01 C ATOM 414 NZ LYS A 29 30.105 -3.023 8.940 1.00 14.02 N ATOM 0 H LYS A 29 31.108 -4.706 5.001 1.00 34.33 H new ATOM 0 HA LYS A 29 31.998 -1.999 5.395 1.00 63.41 H new ATOM 0 HB2 LYS A 29 33.682 -4.414 4.774 1.00 41.01 H new ATOM 0 HB3 LYS A 29 34.135 -2.955 5.633 1.00 41.01 H new ATOM 0 HG2 LYS A 29 32.172 -5.094 6.572 1.00 24.31 H new ATOM 0 HG3 LYS A 29 33.741 -4.732 7.264 1.00 24.31 H new ATOM 0 HD2 LYS A 29 32.557 -3.425 8.723 1.00 71.24 H new ATOM 0 HD3 LYS A 29 32.560 -2.254 7.419 1.00 71.24 H new ATOM 0 HE2 LYS A 29 30.334 -2.634 6.874 1.00 33.01 H new ATOM 0 HE3 LYS A 29 30.400 -4.331 7.305 1.00 33.01 H new ATOM 0 HZ1 LYS A 29 29.069 -3.081 8.873 1.00 14.02 H new ATOM 0 HZ2 LYS A 29 30.445 -3.707 9.646 1.00 14.02 H new ATOM 0 HZ3 LYS A 29 30.380 -2.062 9.228 1.00 14.02 H new ATOM 427 N THR A 30 32.165 -3.335 2.427 1.00 73.15 N ATOM 428 CA THR A 30 32.391 -3.038 1.022 1.00 13.33 C ATOM 429 C THR A 30 31.070 -2.696 0.330 1.00 33.41 C ATOM 430 O THR A 30 31.059 -2.013 -0.693 1.00 0.05 O ATOM 431 CB THR A 30 33.114 -4.232 0.397 1.00 72.05 C ATOM 432 OG1 THR A 30 33.375 -3.818 -0.942 1.00 14.33 O ATOM 433 CG2 THR A 30 32.203 -5.451 0.238 1.00 14.13 C ATOM 0 H THR A 30 31.790 -4.266 2.611 1.00 73.15 H new ATOM 0 HA THR A 30 33.022 -2.158 0.900 1.00 13.33 H new ATOM 0 HB THR A 30 33.973 -4.498 1.013 1.00 72.05 H new ATOM 0 HG1 THR A 30 33.844 -4.533 -1.420 1.00 14.33 H new ATOM 0 HG21 THR A 30 32.766 -6.270 -0.210 1.00 14.13 H new ATOM 0 HG22 THR A 30 31.832 -5.758 1.216 1.00 14.13 H new ATOM 0 HG23 THR A 30 31.361 -5.195 -0.405 1.00 14.13 H new ATOM 441 N LEU A 31 29.988 -3.188 0.916 1.00 74.05 N ATOM 442 CA LEU A 31 28.664 -2.944 0.368 1.00 40.31 C ATOM 443 C LEU A 31 27.737 -2.459 1.484 1.00 35.21 C ATOM 444 O LEU A 31 27.315 -3.245 2.331 1.00 72.53 O ATOM 445 CB LEU A 31 28.149 -4.185 -0.364 1.00 5.11 C ATOM 446 CG LEU A 31 26.910 -3.983 -1.238 1.00 13.35 C ATOM 447 CD1 LEU A 31 26.717 -2.505 -1.582 1.00 12.53 C ATOM 448 CD2 LEU A 31 26.973 -4.859 -2.490 1.00 35.31 C ATOM 0 H LEU A 31 30.001 -3.754 1.764 1.00 74.05 H new ATOM 0 HA LEU A 31 28.702 -2.154 -0.382 1.00 40.31 H new ATOM 0 HB2 LEU A 31 28.952 -4.572 -0.991 1.00 5.11 H new ATOM 0 HB3 LEU A 31 27.925 -4.953 0.377 1.00 5.11 H new ATOM 0 HG LEU A 31 26.036 -4.298 -0.669 1.00 13.35 H new ATOM 0 HD11 LEU A 31 25.829 -2.389 -2.204 1.00 12.53 H new ATOM 0 HD12 LEU A 31 26.594 -1.931 -0.664 1.00 12.53 H new ATOM 0 HD13 LEU A 31 27.590 -2.141 -2.124 1.00 12.53 H new ATOM 0 HD21 LEU A 31 26.080 -4.696 -3.094 1.00 35.31 H new ATOM 0 HD22 LEU A 31 27.857 -4.599 -3.072 1.00 35.31 H new ATOM 0 HD23 LEU A 31 27.027 -5.908 -2.198 1.00 35.31 H new ATOM 460 N LYS A 32 27.446 -1.167 1.449 1.00 1.03 N ATOM 461 CA LYS A 32 26.576 -0.568 2.447 1.00 22.34 C ATOM 462 C LYS A 32 25.554 0.333 1.752 1.00 33.31 C ATOM 463 O LYS A 32 25.925 1.249 1.020 1.00 73.44 O ATOM 464 CB LYS A 32 27.402 0.150 3.516 1.00 22.15 C ATOM 465 CG LYS A 32 28.694 0.716 2.923 1.00 52.12 C ATOM 466 CD LYS A 32 29.595 1.290 4.018 1.00 40.10 C ATOM 467 CE LYS A 32 29.506 2.817 4.057 1.00 42.03 C ATOM 468 NZ LYS A 32 30.649 3.384 4.808 1.00 73.33 N ATOM 0 H LYS A 32 27.797 -0.518 0.745 1.00 1.03 H new ATOM 0 HA LYS A 32 26.015 -1.339 2.975 1.00 22.34 H new ATOM 0 HB2 LYS A 32 26.814 0.957 3.953 1.00 22.15 H new ATOM 0 HB3 LYS A 32 27.641 -0.543 4.322 1.00 22.15 H new ATOM 0 HG2 LYS A 32 29.225 -0.069 2.384 1.00 52.12 H new ATOM 0 HG3 LYS A 32 28.455 1.495 2.198 1.00 52.12 H new ATOM 0 HD2 LYS A 32 29.304 0.880 4.985 1.00 40.10 H new ATOM 0 HD3 LYS A 32 30.627 0.987 3.841 1.00 40.10 H new ATOM 0 HE2 LYS A 32 29.498 3.213 3.041 1.00 42.03 H new ATOM 0 HE3 LYS A 32 28.569 3.121 4.525 1.00 42.03 H new ATOM 0 HZ1 LYS A 32 30.573 4.421 4.825 1.00 73.33 H new ATOM 0 HZ2 LYS A 32 30.639 3.020 5.782 1.00 73.33 H new ATOM 0 HZ3 LYS A 32 31.539 3.109 4.345 1.00 73.33 H new ATOM 481 N GLY A 33 24.286 0.041 2.006 1.00 44.30 N ATOM 482 CA GLY A 33 23.208 0.814 1.414 1.00 74.35 C ATOM 483 C GLY A 33 21.852 0.384 1.977 1.00 33.23 C ATOM 484 O GLY A 33 21.783 -0.493 2.838 1.00 52.45 O ATOM 0 H GLY A 33 23.982 -0.720 2.613 1.00 44.30 H new ATOM 0 HA2 GLY A 33 23.367 1.875 1.609 1.00 74.35 H new ATOM 0 HA3 GLY A 33 23.214 0.684 0.332 1.00 74.35 H new ATOM 488 N GLU A 34 20.807 1.021 1.470 1.00 71.14 N ATOM 489 CA GLU A 34 19.457 0.715 1.912 1.00 52.53 C ATOM 490 C GLU A 34 18.514 0.618 0.710 1.00 23.35 C ATOM 491 O GLU A 34 18.883 0.986 -0.404 1.00 14.43 O ATOM 492 CB GLU A 34 18.960 1.758 2.915 1.00 34.33 C ATOM 493 CG GLU A 34 19.483 1.458 4.322 1.00 52.14 C ATOM 494 CD GLU A 34 18.750 2.299 5.370 1.00 65.44 C ATOM 495 OE1 GLU A 34 19.101 2.251 6.558 1.00 63.00 O ATOM 496 OE2 GLU A 34 17.785 3.021 4.911 1.00 3.54 O ATOM 0 H GLU A 34 20.868 1.748 0.757 1.00 71.14 H new ATOM 0 HA GLU A 34 19.471 -0.251 2.417 1.00 52.53 H new ATOM 0 HB2 GLU A 34 19.287 2.751 2.605 1.00 34.33 H new ATOM 0 HB3 GLU A 34 17.870 1.770 2.923 1.00 34.33 H new ATOM 0 HG2 GLU A 34 19.353 0.399 4.544 1.00 52.14 H new ATOM 0 HG3 GLU A 34 20.552 1.664 4.368 1.00 52.14 H new ATOM 504 N THR A 35 17.316 0.119 0.978 1.00 63.01 N ATOM 505 CA THR A 35 16.318 -0.032 -0.067 1.00 42.03 C ATOM 506 C THR A 35 15.018 -0.592 0.514 1.00 42.53 C ATOM 507 O THR A 35 14.952 -0.915 1.699 1.00 62.14 O ATOM 508 CB THR A 35 16.917 -0.907 -1.170 1.00 41.02 C ATOM 509 OG1 THR A 35 15.794 -1.286 -1.961 1.00 31.22 O ATOM 510 CG2 THR A 35 17.461 -2.233 -0.635 1.00 32.30 C ATOM 0 H THR A 35 17.014 -0.186 1.903 1.00 63.01 H new ATOM 0 HA THR A 35 16.054 0.931 -0.504 1.00 42.03 H new ATOM 0 HB THR A 35 17.717 -0.362 -1.671 1.00 41.02 H new ATOM 0 HG1 THR A 35 16.100 -1.791 -2.743 1.00 31.22 H new ATOM 0 HG21 THR A 35 17.874 -2.815 -1.458 1.00 32.30 H new ATOM 0 HG22 THR A 35 18.243 -2.036 0.099 1.00 32.30 H new ATOM 0 HG23 THR A 35 16.654 -2.794 -0.163 1.00 32.30 H new ATOM 518 N THR A 36 14.016 -0.688 -0.348 1.00 21.44 N ATOM 519 CA THR A 36 12.722 -1.203 0.065 1.00 34.32 C ATOM 520 C THR A 36 12.075 -1.994 -1.073 1.00 74.43 C ATOM 521 O THR A 36 12.405 -1.792 -2.241 1.00 13.32 O ATOM 522 CB THR A 36 11.874 -0.023 0.543 1.00 12.12 C ATOM 523 OG1 THR A 36 11.441 0.604 -0.661 1.00 74.40 O ATOM 524 CG2 THR A 36 12.708 1.052 1.243 1.00 22.11 C ATOM 0 H THR A 36 14.074 -0.418 -1.330 1.00 21.44 H new ATOM 0 HA THR A 36 12.822 -1.906 0.892 1.00 34.32 H new ATOM 0 HB THR A 36 11.102 -0.383 1.223 1.00 12.12 H new ATOM 0 HG1 THR A 36 10.883 1.380 -0.443 1.00 74.40 H new ATOM 0 HG21 THR A 36 12.058 1.866 1.562 1.00 22.11 H new ATOM 0 HG22 THR A 36 13.202 0.620 2.113 1.00 22.11 H new ATOM 0 HG23 THR A 36 13.459 1.437 0.553 1.00 22.11 H new ATOM 532 N THR A 37 11.165 -2.879 -0.694 1.00 34.43 N ATOM 533 CA THR A 37 10.468 -3.702 -1.668 1.00 43.03 C ATOM 534 C THR A 37 9.035 -3.977 -1.208 1.00 5.32 C ATOM 535 O THR A 37 8.757 -3.992 -0.010 1.00 13.42 O ATOM 536 CB THR A 37 11.291 -4.974 -1.887 1.00 55.53 C ATOM 537 OG1 THR A 37 10.785 -5.508 -3.107 1.00 75.34 O ATOM 538 CG2 THR A 37 10.983 -6.056 -0.850 1.00 51.33 C ATOM 0 H THR A 37 10.894 -3.044 0.275 1.00 34.43 H new ATOM 0 HA THR A 37 10.375 -3.188 -2.625 1.00 43.03 H new ATOM 0 HB THR A 37 12.353 -4.730 -1.853 1.00 55.53 H new ATOM 0 HG1 THR A 37 10.723 -6.483 -3.036 1.00 75.34 H new ATOM 0 HG21 THR A 37 11.593 -6.937 -1.051 1.00 51.33 H new ATOM 0 HG22 THR A 37 11.208 -5.678 0.148 1.00 51.33 H new ATOM 0 HG23 THR A 37 9.928 -6.325 -0.907 1.00 51.33 H new ATOM 546 N CYS A 38 8.164 -4.187 -2.184 1.00 24.34 N ATOM 547 CA CYS A 38 6.767 -4.461 -1.893 1.00 41.35 C ATOM 548 C CYS A 38 6.474 -5.915 -2.268 1.00 4.10 C ATOM 549 O CYS A 38 6.865 -6.374 -3.340 1.00 75.13 O ATOM 550 CB CYS A 38 5.838 -3.486 -2.619 1.00 75.15 C ATOM 551 SG CYS A 38 5.448 -1.959 -1.689 1.00 23.42 S ATOM 0 H CYS A 38 8.398 -4.173 -3.177 1.00 24.34 H new ATOM 0 HA CYS A 38 6.579 -4.317 -0.829 1.00 41.35 H new ATOM 0 HB2 CYS A 38 6.296 -3.209 -3.569 1.00 75.15 H new ATOM 0 HB3 CYS A 38 4.906 -4.000 -2.853 1.00 75.15 H new ATOM 0 HG CYS A 38 4.658 -1.209 -2.398 1.00 23.42 H new ATOM 556 N ALA A 39 5.790 -6.599 -1.363 1.00 71.22 N ATOM 557 CA ALA A 39 5.440 -7.992 -1.585 1.00 63.01 C ATOM 558 C ALA A 39 4.097 -8.289 -0.916 1.00 53.02 C ATOM 559 O ALA A 39 3.773 -7.710 0.119 1.00 4.55 O ATOM 560 CB ALA A 39 6.563 -8.890 -1.062 1.00 2.11 C ATOM 0 H ALA A 39 5.469 -6.215 -0.474 1.00 71.22 H new ATOM 0 HA ALA A 39 5.329 -8.195 -2.650 1.00 63.01 H new ATOM 0 HB1 ALA A 39 6.301 -9.935 -1.228 1.00 2.11 H new ATOM 0 HB2 ALA A 39 7.489 -8.660 -1.590 1.00 2.11 H new ATOM 0 HB3 ALA A 39 6.701 -8.716 0.005 1.00 2.11 H new ATOM 566 N VAL A 40 3.350 -9.191 -1.536 1.00 22.44 N ATOM 567 CA VAL A 40 2.049 -9.572 -1.013 1.00 70.31 C ATOM 568 C VAL A 40 2.235 -10.336 0.299 1.00 31.34 C ATOM 569 O VAL A 40 1.464 -10.157 1.241 1.00 52.12 O ATOM 570 CB VAL A 40 1.276 -10.370 -2.065 1.00 31.40 C ATOM 571 CG1 VAL A 40 1.556 -11.869 -1.931 1.00 55.42 C ATOM 572 CG2 VAL A 40 -0.224 -10.083 -1.978 1.00 53.43 C ATOM 0 H VAL A 40 3.621 -9.669 -2.395 1.00 22.44 H new ATOM 0 HA VAL A 40 1.452 -8.687 -0.792 1.00 70.31 H new ATOM 0 HB VAL A 40 1.622 -10.051 -3.048 1.00 31.40 H new ATOM 0 HG11 VAL A 40 0.994 -12.413 -2.690 1.00 55.42 H new ATOM 0 HG12 VAL A 40 2.622 -12.054 -2.066 1.00 55.42 H new ATOM 0 HG13 VAL A 40 1.251 -12.209 -0.941 1.00 55.42 H new ATOM 0 HG21 VAL A 40 -0.750 -10.663 -2.737 1.00 53.43 H new ATOM 0 HG22 VAL A 40 -0.591 -10.361 -0.990 1.00 53.43 H new ATOM 0 HG23 VAL A 40 -0.402 -9.021 -2.146 1.00 53.43 H new ATOM 582 N ASP A 41 3.263 -11.172 0.320 1.00 74.20 N ATOM 583 CA ASP A 41 3.560 -11.964 1.501 1.00 33.15 C ATOM 584 C ASP A 41 5.028 -11.770 1.884 1.00 2.24 C ATOM 585 O ASP A 41 5.888 -11.637 1.015 1.00 71.53 O ATOM 586 CB ASP A 41 3.333 -13.454 1.237 1.00 2.12 C ATOM 587 CG ASP A 41 1.879 -13.850 0.974 1.00 60.22 C ATOM 588 OD1 ASP A 41 0.969 -13.010 1.025 1.00 13.22 O ATOM 589 OD2 ASP A 41 1.695 -15.098 0.702 1.00 14.24 O ATOM 0 H ASP A 41 3.901 -11.318 -0.463 1.00 74.20 H new ATOM 0 HA ASP A 41 2.898 -11.635 2.302 1.00 33.15 H new ATOM 0 HB2 ASP A 41 3.936 -13.751 0.379 1.00 2.12 H new ATOM 0 HB3 ASP A 41 3.698 -14.019 2.094 1.00 2.12 H new ATOM 595 N ALA A 42 5.270 -11.759 3.187 1.00 44.21 N ATOM 596 CA ALA A 42 6.620 -11.583 3.696 1.00 41.13 C ATOM 597 C ALA A 42 7.521 -12.683 3.131 1.00 71.13 C ATOM 598 O ALA A 42 8.742 -12.535 3.099 1.00 74.44 O ATOM 599 CB ALA A 42 6.593 -11.580 5.225 1.00 11.14 C ATOM 0 H ALA A 42 4.554 -11.869 3.905 1.00 44.21 H new ATOM 0 HA ALA A 42 7.029 -10.625 3.375 1.00 41.13 H new ATOM 0 HB1 ALA A 42 7.605 -11.448 5.607 1.00 11.14 H new ATOM 0 HB2 ALA A 42 5.963 -10.762 5.576 1.00 11.14 H new ATOM 0 HB3 ALA A 42 6.191 -12.527 5.584 1.00 11.14 H new ATOM 605 N ALA A 43 6.884 -13.762 2.699 1.00 11.41 N ATOM 606 CA ALA A 43 7.612 -14.886 2.137 1.00 24.30 C ATOM 607 C ALA A 43 8.252 -14.463 0.813 1.00 22.51 C ATOM 608 O ALA A 43 9.411 -14.781 0.550 1.00 2.35 O ATOM 609 CB ALA A 43 6.666 -16.077 1.973 1.00 31.21 C ATOM 0 H ALA A 43 5.871 -13.881 2.727 1.00 11.41 H new ATOM 0 HA ALA A 43 8.414 -15.197 2.806 1.00 24.30 H new ATOM 0 HB1 ALA A 43 7.213 -16.920 1.551 1.00 31.21 H new ATOM 0 HB2 ALA A 43 6.261 -16.357 2.946 1.00 31.21 H new ATOM 0 HB3 ALA A 43 5.849 -15.804 1.305 1.00 31.21 H new ATOM 615 N THR A 44 7.469 -13.754 0.014 1.00 10.11 N ATOM 616 CA THR A 44 7.945 -13.284 -1.276 1.00 74.31 C ATOM 617 C THR A 44 8.997 -12.189 -1.090 1.00 75.13 C ATOM 618 O THR A 44 10.020 -12.184 -1.773 1.00 11.03 O ATOM 619 CB THR A 44 6.732 -12.830 -2.090 1.00 74.04 C ATOM 620 OG1 THR A 44 6.055 -14.042 -2.412 1.00 25.41 O ATOM 621 CG2 THR A 44 7.124 -12.250 -3.451 1.00 15.22 C ATOM 0 H THR A 44 6.508 -13.493 0.235 1.00 10.11 H new ATOM 0 HA THR A 44 8.445 -14.080 -1.827 1.00 74.31 H new ATOM 0 HB THR A 44 6.175 -12.084 -1.524 1.00 74.04 H new ATOM 0 HG1 THR A 44 5.254 -13.839 -2.939 1.00 25.41 H new ATOM 0 HG21 THR A 44 6.226 -11.943 -3.988 1.00 15.22 H new ATOM 0 HG22 THR A 44 7.773 -11.386 -3.305 1.00 15.22 H new ATOM 0 HG23 THR A 44 7.653 -13.007 -4.030 1.00 15.22 H new ATOM 629 N ALA A 45 8.708 -11.288 -0.163 1.00 43.42 N ATOM 630 CA ALA A 45 9.617 -10.190 0.121 1.00 13.41 C ATOM 631 C ALA A 45 10.918 -10.747 0.700 1.00 25.31 C ATOM 632 O ALA A 45 12.000 -10.241 0.405 1.00 22.32 O ATOM 633 CB ALA A 45 8.937 -9.196 1.065 1.00 21.04 C ATOM 0 H ALA A 45 7.858 -11.295 0.401 1.00 43.42 H new ATOM 0 HA ALA A 45 9.867 -9.653 -0.794 1.00 13.41 H new ATOM 0 HB1 ALA A 45 9.618 -8.372 1.278 1.00 21.04 H new ATOM 0 HB2 ALA A 45 8.034 -8.807 0.595 1.00 21.04 H new ATOM 0 HB3 ALA A 45 8.674 -9.699 1.995 1.00 21.04 H new ATOM 639 N GLU A 46 10.771 -11.783 1.514 1.00 42.43 N ATOM 640 CA GLU A 46 11.922 -12.414 2.137 1.00 72.54 C ATOM 641 C GLU A 46 12.900 -12.907 1.068 1.00 31.43 C ATOM 642 O GLU A 46 14.106 -12.695 1.181 1.00 62.23 O ATOM 643 CB GLU A 46 11.489 -13.560 3.054 1.00 54.13 C ATOM 644 CG GLU A 46 12.699 -14.216 3.721 1.00 2.21 C ATOM 645 CD GLU A 46 12.260 -15.219 4.789 1.00 34.23 C ATOM 646 OE1 GLU A 46 13.090 -15.988 5.297 1.00 12.30 O ATOM 647 OE2 GLU A 46 11.005 -15.182 5.089 1.00 5.01 O ATOM 0 H GLU A 46 9.872 -12.201 1.756 1.00 42.43 H new ATOM 0 HA GLU A 46 12.430 -11.672 2.752 1.00 72.54 H new ATOM 0 HB2 GLU A 46 10.809 -13.182 3.817 1.00 54.13 H new ATOM 0 HB3 GLU A 46 10.939 -14.304 2.477 1.00 54.13 H new ATOM 0 HG2 GLU A 46 13.303 -14.722 2.968 1.00 2.21 H new ATOM 0 HG3 GLU A 46 13.329 -13.450 4.173 1.00 2.21 H new ATOM 655 N LYS A 47 12.343 -13.556 0.056 1.00 22.10 N ATOM 656 CA LYS A 47 13.151 -14.081 -1.032 1.00 3.14 C ATOM 657 C LYS A 47 13.918 -12.933 -1.691 1.00 50.04 C ATOM 658 O LYS A 47 15.121 -13.039 -1.925 1.00 50.40 O ATOM 659 CB LYS A 47 12.284 -14.881 -2.005 1.00 62.35 C ATOM 660 CG LYS A 47 11.520 -15.989 -1.277 1.00 1.54 C ATOM 661 CD LYS A 47 10.257 -16.380 -2.045 1.00 74.33 C ATOM 662 CE LYS A 47 9.303 -17.184 -1.159 1.00 71.02 C ATOM 663 NZ LYS A 47 9.571 -18.634 -1.291 1.00 13.41 N ATOM 0 H LYS A 47 11.342 -13.730 -0.034 1.00 22.10 H new ATOM 0 HA LYS A 47 13.893 -14.783 -0.652 1.00 3.14 H new ATOM 0 HB2 LYS A 47 11.579 -14.214 -2.502 1.00 62.35 H new ATOM 0 HB3 LYS A 47 12.912 -15.317 -2.782 1.00 62.35 H new ATOM 0 HG2 LYS A 47 12.163 -16.861 -1.159 1.00 1.54 H new ATOM 0 HG3 LYS A 47 11.251 -15.653 -0.276 1.00 1.54 H new ATOM 0 HD2 LYS A 47 9.754 -15.483 -2.406 1.00 74.33 H new ATOM 0 HD3 LYS A 47 10.528 -16.968 -2.922 1.00 74.33 H new ATOM 0 HE2 LYS A 47 9.420 -16.880 -0.119 1.00 71.02 H new ATOM 0 HE3 LYS A 47 8.271 -16.972 -1.439 1.00 71.02 H new ATOM 0 HZ1 LYS A 47 8.915 -19.165 -0.683 1.00 13.41 H new ATOM 0 HZ2 LYS A 47 9.437 -18.923 -2.281 1.00 13.41 H new ATOM 0 HZ3 LYS A 47 10.550 -18.834 -1.002 1.00 13.41 H new ATOM 676 N VAL A 48 13.190 -11.863 -1.973 1.00 51.53 N ATOM 677 CA VAL A 48 13.786 -10.696 -2.602 1.00 4.03 C ATOM 678 C VAL A 48 14.885 -10.139 -1.694 1.00 64.44 C ATOM 679 O VAL A 48 15.944 -9.734 -2.172 1.00 71.23 O ATOM 680 CB VAL A 48 12.703 -9.666 -2.929 1.00 71.40 C ATOM 681 CG1 VAL A 48 13.322 -8.359 -3.428 1.00 33.13 C ATOM 682 CG2 VAL A 48 11.706 -10.224 -3.947 1.00 31.54 C ATOM 0 H VAL A 48 12.192 -11.779 -1.778 1.00 51.53 H new ATOM 0 HA VAL A 48 14.252 -10.969 -3.549 1.00 4.03 H new ATOM 0 HB VAL A 48 12.158 -9.449 -2.010 1.00 71.40 H new ATOM 0 HG11 VAL A 48 12.530 -7.644 -3.653 1.00 33.13 H new ATOM 0 HG12 VAL A 48 13.974 -7.948 -2.657 1.00 33.13 H new ATOM 0 HG13 VAL A 48 13.903 -8.553 -4.329 1.00 33.13 H new ATOM 0 HG21 VAL A 48 10.947 -9.472 -4.162 1.00 31.54 H new ATOM 0 HG22 VAL A 48 12.231 -10.483 -4.866 1.00 31.54 H new ATOM 0 HG23 VAL A 48 11.229 -11.115 -3.538 1.00 31.54 H new ATOM 692 N PHE A 49 14.596 -10.137 -0.401 1.00 64.44 N ATOM 693 CA PHE A 49 15.547 -9.637 0.577 1.00 20.12 C ATOM 694 C PHE A 49 16.797 -10.518 0.627 1.00 3.30 C ATOM 695 O PHE A 49 17.911 -10.013 0.758 1.00 24.21 O ATOM 696 CB PHE A 49 14.852 -9.682 1.939 1.00 12.53 C ATOM 697 CG PHE A 49 15.813 -9.652 3.130 1.00 73.14 C ATOM 698 CD1 PHE A 49 16.915 -8.856 3.094 1.00 31.22 C ATOM 699 CD2 PHE A 49 15.565 -10.422 4.223 1.00 14.21 C ATOM 700 CE1 PHE A 49 17.807 -8.829 4.199 1.00 53.30 C ATOM 701 CE2 PHE A 49 16.456 -10.394 5.328 1.00 63.43 C ATOM 702 CZ PHE A 49 17.559 -9.598 5.292 1.00 35.44 C ATOM 0 H PHE A 49 13.717 -10.474 -0.008 1.00 64.44 H new ATOM 0 HA PHE A 49 15.858 -8.627 0.311 1.00 20.12 H new ATOM 0 HB2 PHE A 49 14.169 -8.836 2.015 1.00 12.53 H new ATOM 0 HB3 PHE A 49 14.246 -10.586 1.997 1.00 12.53 H new ATOM 0 HD1 PHE A 49 17.112 -8.245 2.226 1.00 31.22 H new ATOM 0 HD2 PHE A 49 14.690 -11.055 4.251 1.00 14.21 H new ATOM 0 HE1 PHE A 49 18.683 -8.197 4.171 1.00 53.30 H new ATOM 0 HE2 PHE A 49 16.258 -11.004 6.197 1.00 63.43 H new ATOM 0 HZ PHE A 49 18.237 -9.577 6.132 1.00 35.44 H new ATOM 712 N LYS A 50 16.570 -11.819 0.520 1.00 45.42 N ATOM 713 CA LYS A 50 17.665 -12.774 0.551 1.00 72.20 C ATOM 714 C LYS A 50 18.457 -12.678 -0.754 1.00 62.23 C ATOM 715 O LYS A 50 19.675 -12.853 -0.760 1.00 33.32 O ATOM 716 CB LYS A 50 17.140 -14.180 0.850 1.00 2.01 C ATOM 717 CG LYS A 50 16.210 -14.171 2.065 1.00 73.13 C ATOM 718 CD LYS A 50 16.878 -14.833 3.272 1.00 55.32 C ATOM 719 CE LYS A 50 16.132 -14.495 4.564 1.00 34.23 C ATOM 720 NZ LYS A 50 16.598 -13.200 5.108 1.00 34.15 N ATOM 0 H LYS A 50 15.645 -12.234 0.412 1.00 45.42 H new ATOM 0 HA LYS A 50 18.355 -12.537 1.361 1.00 72.20 H new ATOM 0 HB2 LYS A 50 16.606 -14.565 -0.019 1.00 2.01 H new ATOM 0 HB3 LYS A 50 17.977 -14.853 1.033 1.00 2.01 H new ATOM 0 HG2 LYS A 50 15.939 -13.145 2.312 1.00 73.13 H new ATOM 0 HG3 LYS A 50 15.285 -14.695 1.824 1.00 73.13 H new ATOM 0 HD2 LYS A 50 16.900 -15.914 3.133 1.00 55.32 H new ATOM 0 HD3 LYS A 50 17.913 -14.500 3.348 1.00 55.32 H new ATOM 0 HE2 LYS A 50 15.060 -14.450 4.371 1.00 34.23 H new ATOM 0 HE3 LYS A 50 16.291 -15.284 5.300 1.00 34.23 H new ATOM 0 HZ1 LYS A 50 16.478 -13.194 6.141 1.00 34.15 H new ATOM 0 HZ2 LYS A 50 17.603 -13.067 4.875 1.00 34.15 H new ATOM 0 HZ3 LYS A 50 16.041 -12.427 4.690 1.00 34.15 H new ATOM 733 N GLN A 51 17.734 -12.400 -1.829 1.00 61.42 N ATOM 734 CA GLN A 51 18.354 -12.279 -3.138 1.00 24.14 C ATOM 735 C GLN A 51 19.138 -10.968 -3.234 1.00 71.51 C ATOM 736 O GLN A 51 20.111 -10.876 -3.981 1.00 32.40 O ATOM 737 CB GLN A 51 17.310 -12.377 -4.251 1.00 15.52 C ATOM 738 CG GLN A 51 17.948 -12.834 -5.564 1.00 2.12 C ATOM 739 CD GLN A 51 17.987 -14.361 -5.652 1.00 54.11 C ATOM 740 OE1 GLN A 51 17.021 -15.050 -5.365 1.00 3.40 O ATOM 741 NE2 GLN A 51 19.153 -14.850 -6.064 1.00 52.23 N ATOM 0 H GLN A 51 16.724 -12.255 -1.820 1.00 61.42 H new ATOM 0 HA GLN A 51 19.051 -13.107 -3.266 1.00 24.14 H new ATOM 0 HB2 GLN A 51 16.528 -13.078 -3.960 1.00 15.52 H new ATOM 0 HB3 GLN A 51 16.833 -11.407 -4.393 1.00 15.52 H new ATOM 0 HG2 GLN A 51 17.384 -12.432 -6.406 1.00 2.12 H new ATOM 0 HG3 GLN A 51 18.960 -12.436 -5.639 1.00 2.12 H new ATOM 0 HE21 GLN A 51 19.921 -14.217 -6.288 1.00 52.23 H new ATOM 0 HE22 GLN A 51 19.279 -15.858 -6.156 1.00 52.23 H new ATOM 750 N TYR A 52 18.684 -9.987 -2.468 1.00 25.31 N ATOM 751 CA TYR A 52 19.331 -8.686 -2.458 1.00 12.02 C ATOM 752 C TYR A 52 20.690 -8.754 -1.759 1.00 22.41 C ATOM 753 O TYR A 52 21.699 -8.317 -2.311 1.00 33.21 O ATOM 754 CB TYR A 52 18.407 -7.763 -1.661 1.00 41.51 C ATOM 755 CG TYR A 52 18.224 -6.377 -2.284 1.00 61.21 C ATOM 756 CD1 TYR A 52 19.261 -5.466 -2.258 1.00 71.53 C ATOM 757 CD2 TYR A 52 17.022 -6.038 -2.872 1.00 24.12 C ATOM 758 CE1 TYR A 52 19.089 -4.163 -2.845 1.00 13.44 C ATOM 759 CE2 TYR A 52 16.850 -4.734 -3.458 1.00 62.22 C ATOM 760 CZ TYR A 52 17.892 -3.861 -3.416 1.00 11.23 C ATOM 761 OH TYR A 52 17.729 -2.629 -3.969 1.00 62.45 O ATOM 0 H TYR A 52 17.876 -10.067 -1.850 1.00 25.31 H new ATOM 0 HA TYR A 52 19.500 -8.333 -3.476 1.00 12.02 H new ATOM 0 HB2 TYR A 52 17.431 -8.238 -1.564 1.00 41.51 H new ATOM 0 HB3 TYR A 52 18.807 -7.647 -0.654 1.00 41.51 H new ATOM 0 HD1 TYR A 52 20.201 -5.731 -1.797 1.00 71.53 H new ATOM 0 HD2 TYR A 52 16.211 -6.751 -2.893 1.00 24.12 H new ATOM 0 HE1 TYR A 52 19.892 -3.441 -2.832 1.00 13.44 H new ATOM 0 HE2 TYR A 52 15.915 -4.455 -3.920 1.00 62.22 H new ATOM 0 HH TYR A 52 16.933 -2.630 -4.541 1.00 62.45 H new ATOM 771 N ALA A 53 20.673 -9.306 -0.555 1.00 25.34 N ATOM 772 CA ALA A 53 21.892 -9.438 0.226 1.00 43.44 C ATOM 773 C ALA A 53 22.883 -10.326 -0.529 1.00 73.45 C ATOM 774 O ALA A 53 24.091 -10.101 -0.476 1.00 14.40 O ATOM 775 CB ALA A 53 21.554 -9.989 1.612 1.00 2.42 C ATOM 0 H ALA A 53 19.834 -9.667 -0.101 1.00 25.34 H new ATOM 0 HA ALA A 53 22.363 -8.465 0.368 1.00 43.44 H new ATOM 0 HB1 ALA A 53 22.468 -10.088 2.197 1.00 2.42 H new ATOM 0 HB2 ALA A 53 20.871 -9.307 2.118 1.00 2.42 H new ATOM 0 HB3 ALA A 53 21.081 -10.966 1.510 1.00 2.42 H new ATOM 781 N ASN A 54 22.334 -11.318 -1.215 1.00 64.54 N ATOM 782 CA ASN A 54 23.155 -12.242 -1.980 1.00 75.44 C ATOM 783 C ASN A 54 23.734 -11.517 -3.196 1.00 41.52 C ATOM 784 O ASN A 54 24.849 -11.809 -3.625 1.00 22.11 O ATOM 785 CB ASN A 54 22.326 -13.425 -2.486 1.00 42.04 C ATOM 786 CG ASN A 54 22.239 -14.526 -1.428 1.00 31.13 C ATOM 787 OD1 ASN A 54 23.197 -14.841 -0.742 1.00 3.14 O ATOM 788 ND2 ASN A 54 21.039 -15.092 -1.334 1.00 21.23 N ATOM 0 H ASN A 54 21.332 -11.502 -1.257 1.00 64.54 H new ATOM 0 HA ASN A 54 23.947 -12.609 -1.328 1.00 75.44 H new ATOM 0 HB2 ASN A 54 21.323 -13.086 -2.746 1.00 42.04 H new ATOM 0 HB3 ASN A 54 22.774 -13.825 -3.396 1.00 42.04 H new ATOM 0 HD21 ASN A 54 20.878 -15.838 -0.657 1.00 21.23 H new ATOM 0 HD22 ASN A 54 20.279 -14.780 -1.939 1.00 21.23 H new ATOM 795 N ASP A 55 22.951 -10.584 -3.717 1.00 53.24 N ATOM 796 CA ASP A 55 23.372 -9.814 -4.875 1.00 41.24 C ATOM 797 C ASP A 55 24.530 -8.896 -4.478 1.00 51.12 C ATOM 798 O ASP A 55 25.300 -8.457 -5.331 1.00 73.14 O ATOM 799 CB ASP A 55 22.232 -8.938 -5.399 1.00 3.33 C ATOM 800 CG ASP A 55 21.887 -9.140 -6.875 1.00 74.23 C ATOM 801 OD1 ASP A 55 20.751 -9.497 -7.222 1.00 71.12 O ATOM 802 OD2 ASP A 55 22.854 -8.913 -7.698 1.00 10.31 O ATOM 0 H ASP A 55 22.027 -10.344 -3.358 1.00 53.24 H new ATOM 0 HA ASP A 55 23.675 -10.514 -5.653 1.00 41.24 H new ATOM 0 HB2 ASP A 55 21.340 -9.133 -4.803 1.00 3.33 H new ATOM 0 HB3 ASP A 55 22.497 -7.892 -5.243 1.00 3.33 H new ATOM 808 N ASN A 56 24.617 -8.633 -3.183 1.00 12.14 N ATOM 809 CA ASN A 56 25.668 -7.775 -2.662 1.00 32.21 C ATOM 810 C ASN A 56 26.879 -8.631 -2.286 1.00 42.12 C ATOM 811 O ASN A 56 27.990 -8.118 -2.156 1.00 34.01 O ATOM 812 CB ASN A 56 25.203 -7.036 -1.406 1.00 4.24 C ATOM 813 CG ASN A 56 24.099 -6.030 -1.738 1.00 24.01 C ATOM 814 OD1 ASN A 56 23.280 -6.427 -2.708 1.00 53.53 O flip ATOM 815 ND2 ASN A 56 23.998 -4.965 -1.152 1.00 5.51 N flip ATOM 0 H ASN A 56 23.977 -8.999 -2.478 1.00 12.14 H new ATOM 0 HA ASN A 56 25.925 -7.049 -3.433 1.00 32.21 H new ATOM 0 HB2 ASN A 56 24.837 -7.754 -0.672 1.00 4.24 H new ATOM 0 HB3 ASN A 56 26.047 -6.518 -0.951 1.00 4.24 H new ATOM 0 HD21 ASN A 56 24.662 -4.723 -0.416 1.00 5.51 H new ATOM 0 HD22 ASN A 56 23.250 -4.317 -1.398 1.00 5.51 H new ATOM 822 N GLY A 57 26.624 -9.921 -2.123 1.00 5.34 N ATOM 823 CA GLY A 57 27.680 -10.853 -1.764 1.00 43.45 C ATOM 824 C GLY A 57 28.068 -10.703 -0.292 1.00 14.21 C ATOM 825 O GLY A 57 29.121 -11.180 0.128 1.00 14.24 O ATOM 0 H GLY A 57 25.702 -10.343 -2.233 1.00 5.34 H new ATOM 0 HA2 GLY A 57 27.349 -11.874 -1.954 1.00 43.45 H new ATOM 0 HA3 GLY A 57 28.553 -10.679 -2.393 1.00 43.45 H new ATOM 829 N VAL A 58 27.195 -10.038 0.452 1.00 64.23 N ATOM 830 CA VAL A 58 27.433 -9.820 1.868 1.00 11.54 C ATOM 831 C VAL A 58 26.533 -10.752 2.682 1.00 64.32 C ATOM 832 O VAL A 58 25.337 -10.856 2.415 1.00 41.43 O ATOM 833 CB VAL A 58 27.228 -8.343 2.212 1.00 44.55 C ATOM 834 CG1 VAL A 58 27.299 -8.116 3.723 1.00 51.11 C ATOM 835 CG2 VAL A 58 28.243 -7.464 1.477 1.00 11.42 C ATOM 0 H VAL A 58 26.323 -9.644 0.100 1.00 64.23 H new ATOM 0 HA VAL A 58 28.465 -10.060 2.122 1.00 11.54 H new ATOM 0 HB VAL A 58 26.231 -8.056 1.878 1.00 44.55 H new ATOM 0 HG11 VAL A 58 27.150 -7.058 3.939 1.00 51.11 H new ATOM 0 HG12 VAL A 58 26.522 -8.700 4.216 1.00 51.11 H new ATOM 0 HG13 VAL A 58 28.276 -8.428 4.092 1.00 51.11 H new ATOM 0 HG21 VAL A 58 28.076 -6.419 1.738 1.00 11.42 H new ATOM 0 HG22 VAL A 58 29.253 -7.754 1.767 1.00 11.42 H new ATOM 0 HG23 VAL A 58 28.124 -7.592 0.401 1.00 11.42 H new ATOM 845 N ASP A 59 27.144 -11.408 3.658 1.00 14.22 N ATOM 846 CA ASP A 59 26.413 -12.329 4.512 1.00 11.43 C ATOM 847 C ASP A 59 26.975 -12.254 5.933 1.00 33.15 C ATOM 848 O ASP A 59 28.186 -12.157 6.122 1.00 43.05 O ATOM 849 CB ASP A 59 26.560 -13.770 4.021 1.00 74.01 C ATOM 850 CG ASP A 59 26.087 -14.016 2.587 1.00 50.54 C ATOM 851 OD1 ASP A 59 24.880 -14.003 2.301 1.00 45.13 O ATOM 852 OD2 ASP A 59 27.029 -14.230 1.731 1.00 12.34 O ATOM 0 H ASP A 59 28.136 -11.320 3.876 1.00 14.22 H new ATOM 0 HA ASP A 59 25.360 -12.046 4.490 1.00 11.43 H new ATOM 0 HB2 ASP A 59 27.608 -14.058 4.096 1.00 74.01 H new ATOM 0 HB3 ASP A 59 26.001 -14.425 4.689 1.00 74.01 H new ATOM 858 N GLY A 60 26.067 -12.302 6.898 1.00 61.55 N ATOM 859 CA GLY A 60 26.457 -12.242 8.296 1.00 12.30 C ATOM 860 C GLY A 60 25.251 -12.466 9.211 1.00 5.24 C ATOM 861 O GLY A 60 24.644 -13.535 9.193 1.00 23.35 O ATOM 0 H GLY A 60 25.063 -12.382 6.738 1.00 61.55 H new ATOM 0 HA2 GLY A 60 27.217 -12.997 8.498 1.00 12.30 H new ATOM 0 HA3 GLY A 60 26.906 -11.272 8.511 1.00 12.30 H new ATOM 865 N GLU A 61 24.941 -11.440 9.990 1.00 41.42 N ATOM 866 CA GLU A 61 23.819 -11.511 10.911 1.00 63.05 C ATOM 867 C GLU A 61 22.570 -10.899 10.274 1.00 41.14 C ATOM 868 O GLU A 61 22.538 -9.704 9.985 1.00 45.33 O ATOM 869 CB GLU A 61 24.153 -10.822 12.235 1.00 34.55 C ATOM 870 CG GLU A 61 23.215 -11.293 13.349 1.00 13.11 C ATOM 871 CD GLU A 61 23.748 -10.884 14.724 1.00 74.12 C ATOM 872 OE1 GLU A 61 23.889 -9.684 15.002 1.00 33.03 O ATOM 873 OE2 GLU A 61 24.018 -11.865 15.517 1.00 11.44 O ATOM 0 H GLU A 61 25.447 -10.555 10.002 1.00 41.42 H new ATOM 0 HA GLU A 61 23.616 -12.560 11.126 1.00 63.05 H new ATOM 0 HB2 GLU A 61 25.186 -11.035 12.510 1.00 34.55 H new ATOM 0 HB3 GLU A 61 24.071 -9.741 12.118 1.00 34.55 H new ATOM 0 HG2 GLU A 61 22.223 -10.867 13.198 1.00 13.11 H new ATOM 0 HG3 GLU A 61 23.107 -12.377 13.304 1.00 13.11 H new ATOM 881 N TRP A 62 21.571 -11.746 10.073 1.00 22.03 N ATOM 882 CA TRP A 62 20.323 -11.303 9.476 1.00 72.32 C ATOM 883 C TRP A 62 19.317 -11.066 10.604 1.00 52.01 C ATOM 884 O TRP A 62 19.060 -11.959 11.410 1.00 63.11 O ATOM 885 CB TRP A 62 19.827 -12.308 8.434 1.00 31.22 C ATOM 886 CG TRP A 62 20.770 -12.486 7.243 1.00 62.22 C ATOM 887 CD1 TRP A 62 22.065 -12.829 7.260 1.00 25.30 C ATOM 888 CD2 TRP A 62 20.437 -12.315 5.849 1.00 32.11 C ATOM 889 NE1 TRP A 62 22.589 -12.892 5.985 1.00 42.53 N ATOM 890 CE2 TRP A 62 21.567 -12.569 5.099 1.00 22.05 C ATOM 891 CE3 TRP A 62 19.220 -11.958 5.242 1.00 40.31 C ATOM 892 CZ2 TRP A 62 21.593 -12.493 3.702 1.00 44.42 C ATOM 893 CZ3 TRP A 62 19.263 -11.886 3.844 1.00 12.33 C ATOM 894 CH2 TRP A 62 20.393 -12.138 3.075 1.00 33.22 C ATOM 0 H TRP A 62 21.601 -12.737 10.313 1.00 22.03 H new ATOM 0 HA TRP A 62 20.465 -10.368 8.934 1.00 72.32 H new ATOM 0 HB2 TRP A 62 19.682 -13.274 8.917 1.00 31.22 H new ATOM 0 HB3 TRP A 62 18.853 -11.985 8.068 1.00 31.22 H new ATOM 0 HD1 TRP A 62 22.628 -13.031 8.159 1.00 25.30 H new ATOM 0 HE1 TRP A 62 23.549 -13.131 5.738 1.00 42.53 H new ATOM 0 HE3 TRP A 62 18.323 -11.755 5.809 1.00 40.31 H new ATOM 0 HZ2 TRP A 62 22.491 -12.697 3.138 1.00 44.42 H new ATOM 0 HZ3 TRP A 62 18.354 -11.616 3.327 1.00 12.33 H new ATOM 0 HH2 TRP A 62 20.345 -12.060 1.999 1.00 33.22 H new ATOM 905 N THR A 63 18.774 -9.857 10.625 1.00 22.51 N ATOM 906 CA THR A 63 17.802 -9.491 11.641 1.00 71.30 C ATOM 907 C THR A 63 16.640 -8.719 11.013 1.00 32.22 C ATOM 908 O THR A 63 16.855 -7.801 10.223 1.00 35.13 O ATOM 909 CB THR A 63 18.532 -8.708 12.734 1.00 41.03 C ATOM 910 OG1 THR A 63 17.515 -8.410 13.686 1.00 72.10 O ATOM 911 CG2 THR A 63 19.006 -7.335 12.253 1.00 51.13 C ATOM 0 H THR A 63 18.989 -9.119 9.955 1.00 22.51 H new ATOM 0 HA THR A 63 17.355 -10.374 12.098 1.00 71.30 H new ATOM 0 HB THR A 63 19.388 -9.285 13.084 1.00 41.03 H new ATOM 0 HG1 THR A 63 17.902 -7.904 14.431 1.00 72.10 H new ATOM 0 HG21 THR A 63 19.518 -6.821 13.067 1.00 51.13 H new ATOM 0 HG22 THR A 63 19.692 -7.460 11.415 1.00 51.13 H new ATOM 0 HG23 THR A 63 18.147 -6.745 11.934 1.00 51.13 H new ATOM 919 N TYR A 64 15.434 -9.120 11.388 1.00 10.03 N ATOM 920 CA TYR A 64 14.237 -8.477 10.872 1.00 65.21 C ATOM 921 C TYR A 64 13.280 -8.109 12.007 1.00 53.32 C ATOM 922 O TYR A 64 13.098 -8.882 12.946 1.00 74.02 O ATOM 923 CB TYR A 64 13.563 -9.509 9.966 1.00 55.55 C ATOM 924 CG TYR A 64 12.043 -9.358 9.875 1.00 13.34 C ATOM 925 CD1 TYR A 64 11.229 -10.024 10.769 1.00 71.41 C ATOM 926 CD2 TYR A 64 11.485 -8.555 8.901 1.00 64.22 C ATOM 927 CE1 TYR A 64 9.798 -9.882 10.684 1.00 24.51 C ATOM 928 CE2 TYR A 64 10.055 -8.413 8.816 1.00 30.20 C ATOM 929 CZ TYR A 64 9.282 -9.084 9.712 1.00 40.11 C ATOM 930 OH TYR A 64 7.931 -8.950 9.632 1.00 40.21 O ATOM 0 H TYR A 64 15.260 -9.882 12.043 1.00 10.03 H new ATOM 0 HA TYR A 64 14.491 -7.559 10.343 1.00 65.21 H new ATOM 0 HB2 TYR A 64 13.986 -9.430 8.965 1.00 55.55 H new ATOM 0 HB3 TYR A 64 13.797 -10.508 10.333 1.00 55.55 H new ATOM 0 HD1 TYR A 64 11.665 -10.652 11.532 1.00 71.41 H new ATOM 0 HD2 TYR A 64 12.122 -8.033 8.202 1.00 64.22 H new ATOM 0 HE1 TYR A 64 9.150 -10.398 11.377 1.00 24.51 H new ATOM 0 HE2 TYR A 64 9.606 -7.788 8.058 1.00 30.20 H new ATOM 0 HH TYR A 64 7.505 -9.529 10.298 1.00 40.21 H new ATOM 940 N ASP A 65 12.693 -6.927 11.883 1.00 72.42 N ATOM 941 CA ASP A 65 11.758 -6.447 12.886 1.00 3.04 C ATOM 942 C ASP A 65 10.378 -6.273 12.250 1.00 71.11 C ATOM 943 O ASP A 65 10.167 -5.357 11.457 1.00 40.21 O ATOM 944 CB ASP A 65 12.197 -5.091 13.443 1.00 54.12 C ATOM 945 CG ASP A 65 13.018 -5.156 14.732 1.00 13.32 C ATOM 946 OD1 ASP A 65 14.251 -5.283 14.698 1.00 34.25 O ATOM 947 OD2 ASP A 65 12.331 -5.068 15.821 1.00 71.53 O ATOM 0 H ASP A 65 12.847 -6.288 11.103 1.00 72.42 H new ATOM 0 HA ASP A 65 11.727 -7.177 13.695 1.00 3.04 H new ATOM 0 HB2 ASP A 65 12.783 -4.575 12.682 1.00 54.12 H new ATOM 0 HB3 ASP A 65 11.309 -4.486 13.626 1.00 54.12 H new ATOM 953 N ASP A 66 9.473 -7.167 12.621 1.00 24.23 N ATOM 954 CA ASP A 66 8.119 -7.124 12.097 1.00 61.14 C ATOM 955 C ASP A 66 7.446 -5.823 12.540 1.00 63.33 C ATOM 956 O ASP A 66 6.469 -5.388 11.933 1.00 51.10 O ATOM 957 CB ASP A 66 7.285 -8.292 12.627 1.00 25.12 C ATOM 958 CG ASP A 66 5.936 -8.491 11.934 1.00 12.44 C ATOM 959 OD1 ASP A 66 4.929 -7.870 12.307 1.00 43.40 O ATOM 960 OD2 ASP A 66 5.942 -9.336 10.960 1.00 45.43 O ATOM 0 H ASP A 66 9.652 -7.926 13.279 1.00 24.23 H new ATOM 0 HA ASP A 66 8.176 -7.186 11.010 1.00 61.14 H new ATOM 0 HB2 ASP A 66 7.866 -9.209 12.527 1.00 25.12 H new ATOM 0 HB3 ASP A 66 7.110 -8.140 13.692 1.00 25.12 H new ATOM 966 N ALA A 67 7.996 -5.239 13.594 1.00 24.30 N ATOM 967 CA ALA A 67 7.462 -3.997 14.125 1.00 33.14 C ATOM 968 C ALA A 67 7.498 -2.924 13.036 1.00 50.24 C ATOM 969 O ALA A 67 6.686 -2.000 13.042 1.00 73.12 O ATOM 970 CB ALA A 67 8.254 -3.591 15.370 1.00 73.30 C ATOM 0 H ALA A 67 8.807 -5.603 14.095 1.00 24.30 H new ATOM 0 HA ALA A 67 6.423 -4.125 14.427 1.00 33.14 H new ATOM 0 HB1 ALA A 67 7.853 -2.659 15.768 1.00 73.30 H new ATOM 0 HB2 ALA A 67 8.172 -4.373 16.125 1.00 73.30 H new ATOM 0 HB3 ALA A 67 9.302 -3.451 15.105 1.00 73.30 H new ATOM 976 N THR A 68 8.448 -3.081 12.126 1.00 62.51 N ATOM 977 CA THR A 68 8.601 -2.137 11.032 1.00 60.41 C ATOM 978 C THR A 68 8.914 -2.877 9.729 1.00 15.44 C ATOM 979 O THR A 68 9.312 -2.261 8.742 1.00 12.40 O ATOM 980 CB THR A 68 9.676 -1.124 11.429 1.00 65.14 C ATOM 981 OG1 THR A 68 9.927 -0.397 10.229 1.00 4.33 O ATOM 982 CG2 THR A 68 11.017 -1.788 11.749 1.00 61.20 C ATOM 0 H THR A 68 9.120 -3.848 12.124 1.00 62.51 H new ATOM 0 HA THR A 68 7.675 -1.593 10.846 1.00 60.41 H new ATOM 0 HB THR A 68 9.337 -0.555 12.295 1.00 65.14 H new ATOM 0 HG1 THR A 68 9.303 -0.690 9.532 1.00 4.33 H new ATOM 0 HG21 THR A 68 11.744 -1.025 12.025 1.00 61.20 H new ATOM 0 HG22 THR A 68 10.890 -2.484 12.578 1.00 61.20 H new ATOM 0 HG23 THR A 68 11.373 -2.329 10.872 1.00 61.20 H new ATOM 990 N LYS A 69 8.721 -4.187 9.769 1.00 0.22 N ATOM 991 CA LYS A 69 8.977 -5.017 8.604 1.00 3.33 C ATOM 992 C LYS A 69 10.252 -4.534 7.910 1.00 43.41 C ATOM 993 O LYS A 69 10.224 -4.170 6.735 1.00 11.13 O ATOM 994 CB LYS A 69 7.752 -5.047 7.688 1.00 22.54 C ATOM 995 CG LYS A 69 6.463 -5.184 8.501 1.00 22.13 C ATOM 996 CD LYS A 69 6.305 -6.606 9.044 1.00 61.04 C ATOM 997 CE LYS A 69 4.882 -7.122 8.823 1.00 14.20 C ATOM 998 NZ LYS A 69 4.005 -6.720 9.946 1.00 50.23 N ATOM 0 H LYS A 69 8.390 -4.694 10.590 1.00 0.22 H new ATOM 0 HA LYS A 69 9.148 -6.051 8.903 1.00 3.33 H new ATOM 0 HB2 LYS A 69 7.716 -4.134 7.093 1.00 22.54 H new ATOM 0 HB3 LYS A 69 7.836 -5.880 6.990 1.00 22.54 H new ATOM 0 HG2 LYS A 69 6.474 -4.474 9.328 1.00 22.13 H new ATOM 0 HG3 LYS A 69 5.606 -4.932 7.876 1.00 22.13 H new ATOM 0 HD2 LYS A 69 7.017 -7.268 8.551 1.00 61.04 H new ATOM 0 HD3 LYS A 69 6.540 -6.621 10.108 1.00 61.04 H new ATOM 0 HE2 LYS A 69 4.487 -6.728 7.886 1.00 14.20 H new ATOM 0 HE3 LYS A 69 4.893 -8.208 8.733 1.00 14.20 H new ATOM 0 HZ1 LYS A 69 3.010 -6.784 9.650 1.00 50.23 H new ATOM 0 HZ2 LYS A 69 4.166 -7.352 10.756 1.00 50.23 H new ATOM 0 HZ3 LYS A 69 4.222 -5.741 10.222 1.00 50.23 H new ATOM 1011 N THR A 70 11.340 -4.546 8.666 1.00 44.52 N ATOM 1012 CA THR A 70 12.623 -4.113 8.138 1.00 62.13 C ATOM 1013 C THR A 70 13.704 -5.151 8.447 1.00 42.31 C ATOM 1014 O THR A 70 13.759 -5.684 9.554 1.00 63.11 O ATOM 1015 CB THR A 70 12.928 -2.728 8.712 1.00 62.21 C ATOM 1016 OG1 THR A 70 12.033 -1.861 8.021 1.00 30.12 O ATOM 1017 CG2 THR A 70 14.317 -2.223 8.315 1.00 12.33 C ATOM 0 H THR A 70 11.360 -4.849 9.640 1.00 44.52 H new ATOM 0 HA THR A 70 12.596 -4.031 7.051 1.00 62.13 H new ATOM 0 HB THR A 70 12.850 -2.760 9.799 1.00 62.21 H new ATOM 0 HG1 THR A 70 11.117 -2.022 8.330 1.00 30.12 H new ATOM 0 HG21 THR A 70 14.483 -1.237 8.748 1.00 12.33 H new ATOM 0 HG22 THR A 70 15.075 -2.914 8.685 1.00 12.33 H new ATOM 0 HG23 THR A 70 14.384 -2.158 7.229 1.00 12.33 H new ATOM 1025 N PHE A 71 14.537 -5.406 7.449 1.00 41.23 N ATOM 1026 CA PHE A 71 15.614 -6.370 7.600 1.00 74.00 C ATOM 1027 C PHE A 71 16.979 -5.689 7.488 1.00 23.34 C ATOM 1028 O PHE A 71 17.162 -4.787 6.672 1.00 25.34 O ATOM 1029 CB PHE A 71 15.468 -7.384 6.464 1.00 63.41 C ATOM 1030 CG PHE A 71 14.072 -7.999 6.353 1.00 35.24 C ATOM 1031 CD1 PHE A 71 13.015 -7.226 5.985 1.00 3.43 C ATOM 1032 CD2 PHE A 71 13.886 -9.319 6.624 1.00 63.15 C ATOM 1033 CE1 PHE A 71 11.719 -7.796 5.883 1.00 60.12 C ATOM 1034 CE2 PHE A 71 12.590 -9.890 6.521 1.00 10.31 C ATOM 1035 CZ PHE A 71 11.534 -9.116 6.153 1.00 73.11 C ATOM 0 H PHE A 71 14.488 -4.962 6.532 1.00 41.23 H new ATOM 0 HA PHE A 71 15.554 -6.845 8.579 1.00 74.00 H new ATOM 0 HB2 PHE A 71 15.714 -6.896 5.521 1.00 63.41 H new ATOM 0 HB3 PHE A 71 16.195 -8.183 6.609 1.00 63.41 H new ATOM 0 HD1 PHE A 71 13.162 -6.178 5.770 1.00 3.43 H new ATOM 0 HD2 PHE A 71 14.725 -9.933 6.918 1.00 63.15 H new ATOM 0 HE1 PHE A 71 10.880 -7.182 5.591 1.00 60.12 H new ATOM 0 HE2 PHE A 71 12.443 -10.938 6.735 1.00 10.31 H new ATOM 0 HZ PHE A 71 10.548 -9.550 6.075 1.00 73.11 H new ATOM 1045 N THR A 72 17.903 -6.147 8.321 1.00 72.33 N ATOM 1046 CA THR A 72 19.246 -5.594 8.326 1.00 43.22 C ATOM 1047 C THR A 72 20.286 -6.716 8.285 1.00 55.13 C ATOM 1048 O THR A 72 20.199 -7.675 9.050 1.00 61.24 O ATOM 1049 CB THR A 72 19.379 -4.687 9.551 1.00 44.12 C ATOM 1050 OG1 THR A 72 18.109 -4.050 9.651 1.00 53.33 O ATOM 1051 CG2 THR A 72 20.358 -3.533 9.322 1.00 72.12 C ATOM 0 H THR A 72 17.747 -6.895 8.997 1.00 72.33 H new ATOM 0 HA THR A 72 19.429 -4.992 7.436 1.00 43.22 H new ATOM 0 HB THR A 72 19.708 -5.278 10.406 1.00 44.12 H new ATOM 0 HG1 THR A 72 18.107 -3.444 10.421 1.00 53.33 H new ATOM 0 HG21 THR A 72 20.415 -2.920 10.222 1.00 72.12 H new ATOM 0 HG22 THR A 72 21.345 -3.934 9.093 1.00 72.12 H new ATOM 0 HG23 THR A 72 20.012 -2.922 8.488 1.00 72.12 H new ATOM 1059 N VAL A 73 21.244 -6.558 7.384 1.00 62.31 N ATOM 1060 CA VAL A 73 22.299 -7.546 7.233 1.00 60.30 C ATOM 1061 C VAL A 73 23.623 -6.950 7.714 1.00 2.31 C ATOM 1062 O VAL A 73 24.100 -5.960 7.160 1.00 20.34 O ATOM 1063 CB VAL A 73 22.355 -8.035 5.784 1.00 11.11 C ATOM 1064 CG1 VAL A 73 23.642 -7.572 5.099 1.00 61.42 C ATOM 1065 CG2 VAL A 73 22.212 -9.557 5.713 1.00 52.41 C ATOM 0 H VAL A 73 21.312 -5.761 6.751 1.00 62.31 H new ATOM 0 HA VAL A 73 22.093 -8.421 7.850 1.00 60.30 H new ATOM 0 HB VAL A 73 21.514 -7.595 5.249 1.00 11.11 H new ATOM 0 HG11 VAL A 73 23.657 -7.933 4.071 1.00 61.42 H new ATOM 0 HG12 VAL A 73 23.684 -6.483 5.102 1.00 61.42 H new ATOM 0 HG13 VAL A 73 24.503 -7.970 5.636 1.00 61.42 H new ATOM 0 HG21 VAL A 73 22.255 -9.878 4.672 1.00 52.41 H new ATOM 0 HG22 VAL A 73 23.023 -10.025 6.271 1.00 52.41 H new ATOM 0 HG23 VAL A 73 21.256 -9.853 6.145 1.00 52.41 H new ATOM 1075 N THR A 74 24.180 -7.577 8.740 1.00 12.30 N ATOM 1076 CA THR A 74 25.440 -7.120 9.302 1.00 34.20 C ATOM 1077 C THR A 74 26.566 -8.092 8.945 1.00 20.11 C ATOM 1078 O THR A 74 26.515 -9.267 9.307 1.00 3.40 O ATOM 1079 CB THR A 74 25.247 -6.940 10.809 1.00 3.01 C ATOM 1080 OG1 THR A 74 23.936 -6.395 10.929 1.00 22.01 O ATOM 1081 CG2 THR A 74 26.156 -5.855 11.390 1.00 44.12 C ATOM 0 H THR A 74 23.782 -8.398 9.197 1.00 12.30 H new ATOM 0 HA THR A 74 25.737 -6.159 8.881 1.00 34.20 H new ATOM 0 HB THR A 74 25.441 -7.886 11.315 1.00 3.01 H new ATOM 0 HG1 THR A 74 23.728 -6.248 11.875 1.00 22.01 H new ATOM 0 HG21 THR A 74 25.979 -5.768 12.462 1.00 44.12 H new ATOM 0 HG22 THR A 74 27.198 -6.121 11.215 1.00 44.12 H new ATOM 0 HG23 THR A 74 25.939 -4.902 10.908 1.00 44.12 H new ATOM 1089 N GLU A 75 27.556 -7.566 8.239 1.00 24.34 N ATOM 1090 CA GLU A 75 28.694 -8.373 7.829 1.00 14.35 C ATOM 1091 C GLU A 75 29.760 -8.383 8.927 1.00 70.15 C ATOM 1092 O GLU A 75 30.944 -8.560 8.645 1.00 61.44 O ATOM 1093 CB GLU A 75 29.273 -7.870 6.506 1.00 64.11 C ATOM 1094 CG GLU A 75 29.902 -9.017 5.712 1.00 72.12 C ATOM 1095 CD GLU A 75 30.245 -8.575 4.288 1.00 4.41 C ATOM 1096 OE1 GLU A 75 30.177 -9.386 3.353 1.00 31.21 O ATOM 1097 OE2 GLU A 75 30.593 -7.338 4.170 1.00 13.24 O ATOM 0 H GLU A 75 27.594 -6.591 7.940 1.00 24.34 H new ATOM 0 HA GLU A 75 28.353 -9.396 7.672 1.00 14.35 H new ATOM 0 HB2 GLU A 75 28.486 -7.402 5.915 1.00 64.11 H new ATOM 0 HB3 GLU A 75 30.023 -7.104 6.701 1.00 64.11 H new ATOM 0 HG2 GLU A 75 30.804 -9.361 6.217 1.00 72.12 H new ATOM 0 HG3 GLU A 75 29.213 -9.861 5.679 1.00 72.12 H new