USER MOD reduce.3.24.130724 H: found=0, std=0, add=1001, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 997 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 10 ASN :FLIP amide:sc= -0.148 F(o=-1.6!,f=0.84) USER MOD Set 1.2: A 122 SER OG : rot -32:sc= 0.988 USER MOD Set 2.1: A 103 SER OG : rot -130:sc=-0.000372 USER MOD Set 2.2: A 106 SER OG : rot -170:sc= 0.107 USER MOD Set 3.1: A 25 THR OG1 : rot -19:sc= 0.575 USER MOD Set 3.2: A 98 MET CE :methyl 168:sc= -0.0384 (180deg=-0.253) USER MOD Set 4.1: A 1 MET N :NH3+ 180:sc= 1.09 (180deg=0.463) USER MOD Set 4.2: A 97 TYR OH : rot 120:sc= 0.51 USER MOD Set 5.1: A 37 TYR OH : rot 41:sc= 0.3 USER MOD Set 5.2: A 49 HIS : no HD1:sc= 0.75 K(o=-0.37,f=-6.7!) USER MOD Set 5.3: A 77 HIS : no HD1:sc= -0.0773 K(o=-0.37,f=-2.3) USER MOD Set 5.4: A 78 MET CE :methyl -175:sc= -1.34 (180deg=-1.21) USER MOD Set 5.5: A 81 MET CE :methyl -178:sc= 0 (180deg=0) USER MOD Set 6.1: A 64 THR OG1 : rot 120:sc= 0.929 USER MOD Set 6.2: A 93 LYS NZ :NH3+ -155:sc= 1.09 (180deg=0) USER MOD Set 7.1: A 13 HIS : no HD1:sc= 0.0137 K(o=-2.6,f=-3.9) USER MOD Set 7.2: A 14 MET CE :methyl 166:sc= 0 (180deg=0) USER MOD Set 7.3: A 17 MET CE :methyl -153:sc= -1.21 (180deg=-1.23) USER MOD Set 7.4: A 113 HIS : no HD1:sc= -1.45 K(o=-2.6,f=-3.9!) USER MOD Single : A 1 MET CE :methyl 174:sc= -0.114 (180deg=-0.146) USER MOD Single : A 2 LYS NZ :NH3+ 168:sc= -0.031 (180deg=-0.225) USER MOD Single : A 5 SER OG : rot -60:sc= -0.801 USER MOD Single : A 6 GLN : amide:sc= -0.307 X(o=-0.31,f=-0.15) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 150:sc= -0.487 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 169:sc= -0.0157 (180deg=-0.145) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.275 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.0172 USER MOD Single : A 33 TYR OH : rot 180:sc= 0.0891 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.258 USER MOD Single : A 41 ASN :FLIP amide:sc= -1.86! C(o=-2.4!,f=-1.9!) USER MOD Single : A 44 GLN : amide:sc= -0.319 X(o=-0.32,f=0) USER MOD Single : A 48 HIS : no HE2:sc= 0.222 K(o=0.22,f=-0.92) USER MOD Single : A 50 LYS NZ :NH3+ 143:sc= 0.441 (180deg=0.0446) USER MOD Single : A 54 GLN : amide:sc= -0.0119 X(o=-0.012,f=-0.13) USER MOD Single : A 58 LYS NZ :NH3+ -160:sc= 0.09 (180deg=0.0245) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 GLN : amide:sc= 0.304 K(o=0.3,f=-0.22) USER MOD Single : A 76 SER OG : rot 30:sc= 0.154 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -167:sc=-0.00926 (180deg=-0.334) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 28:sc= -0.569 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ -143:sc= -0.719 (180deg=-2.58!) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 ASN : amide:sc= -0.262 K(o=-0.26,f=-3!) USER MOD Single : A 114 LYS NZ :NH3+ 149:sc= -1.14 (180deg=-3.2!) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.182 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 128 HIS : no HD1:sc= -0.181 X(o=-0.18,f=-0.12) USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=-0.083) USER MOD Single : A 130 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 131 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 132 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.965 14.761 -2.454 1.00 60.51 N ATOM 2 CA MET A 1 -3.849 14.832 -3.933 1.00 24.24 C ATOM 3 C MET A 1 -5.187 14.417 -4.581 1.00 55.15 C ATOM 4 O MET A 1 -5.532 13.233 -4.580 1.00 51.13 O ATOM 5 CB MET A 1 -2.694 13.924 -4.436 1.00 42.11 C ATOM 6 CG MET A 1 -1.345 14.188 -3.767 1.00 42.04 C ATOM 7 SD MET A 1 -0.877 15.931 -3.838 1.00 3.11 S ATOM 8 CE MET A 1 0.475 15.985 -2.664 1.00 53.45 C ATOM 0 H1 MET A 1 -3.062 15.041 -2.021 1.00 60.51 H new ATOM 0 H2 MET A 1 -4.717 15.404 -2.133 1.00 60.51 H new ATOM 0 H3 MET A 1 -4.198 13.788 -2.170 1.00 60.51 H new ATOM 0 HA MET A 1 -3.620 15.858 -4.220 1.00 24.24 H new ATOM 0 HB2 MET A 1 -2.969 12.882 -4.272 1.00 42.11 H new ATOM 0 HB3 MET A 1 -2.585 14.059 -5.512 1.00 42.11 H new ATOM 0 HG2 MET A 1 -1.389 13.868 -2.726 1.00 42.04 H new ATOM 0 HG3 MET A 1 -0.577 13.587 -4.253 1.00 42.04 H new ATOM 0 HE1 MET A 1 0.933 16.974 -2.681 1.00 53.45 H new ATOM 0 HE2 MET A 1 0.096 15.778 -1.663 1.00 53.45 H new ATOM 0 HE3 MET A 1 1.220 15.236 -2.932 1.00 53.45 H new ATOM 20 N LYS A 2 -5.949 15.395 -5.101 1.00 42.33 N ATOM 21 CA LYS A 2 -7.260 15.130 -5.742 1.00 1.32 C ATOM 22 C LYS A 2 -7.098 14.444 -7.125 1.00 32.14 C ATOM 23 O LYS A 2 -6.030 14.516 -7.752 1.00 14.33 O ATOM 24 CB LYS A 2 -8.122 16.427 -5.869 1.00 45.54 C ATOM 25 CG LYS A 2 -7.561 17.541 -6.791 1.00 32.51 C ATOM 26 CD LYS A 2 -6.478 18.418 -6.117 1.00 20.21 C ATOM 27 CE LYS A 2 -5.978 19.534 -7.044 1.00 62.23 C ATOM 28 NZ LYS A 2 -7.079 20.421 -7.513 1.00 62.44 N ATOM 0 H LYS A 2 -5.683 16.380 -5.092 1.00 42.33 H new ATOM 0 HA LYS A 2 -7.791 14.441 -5.085 1.00 1.32 H new ATOM 0 HB2 LYS A 2 -9.110 16.146 -6.235 1.00 45.54 H new ATOM 0 HB3 LYS A 2 -8.258 16.845 -4.872 1.00 45.54 H new ATOM 0 HG2 LYS A 2 -7.140 17.082 -7.686 1.00 32.51 H new ATOM 0 HG3 LYS A 2 -8.382 18.179 -7.116 1.00 32.51 H new ATOM 0 HD2 LYS A 2 -6.884 18.859 -5.207 1.00 20.21 H new ATOM 0 HD3 LYS A 2 -5.638 17.791 -5.820 1.00 20.21 H new ATOM 0 HE2 LYS A 2 -5.233 20.132 -6.519 1.00 62.23 H new ATOM 0 HE3 LYS A 2 -5.481 19.090 -7.906 1.00 62.23 H new ATOM 0 HZ1 LYS A 2 -6.675 21.267 -7.963 1.00 62.44 H new ATOM 0 HZ2 LYS A 2 -7.667 19.910 -8.202 1.00 62.44 H new ATOM 0 HZ3 LYS A 2 -7.664 20.706 -6.702 1.00 62.44 H new ATOM 42 N VAL A 3 -8.174 13.777 -7.576 1.00 24.42 N ATOM 43 CA VAL A 3 -8.180 12.979 -8.822 1.00 12.31 C ATOM 44 C VAL A 3 -8.015 13.867 -10.093 1.00 44.13 C ATOM 45 O VAL A 3 -8.699 14.882 -10.266 1.00 20.34 O ATOM 46 CB VAL A 3 -9.481 12.090 -8.924 1.00 34.25 C ATOM 47 CG1 VAL A 3 -9.467 11.202 -10.198 1.00 53.14 C ATOM 48 CG2 VAL A 3 -9.662 11.222 -7.644 1.00 42.32 C ATOM 0 H VAL A 3 -9.069 13.774 -7.087 1.00 24.42 H new ATOM 0 HA VAL A 3 -7.315 12.318 -8.776 1.00 12.31 H new ATOM 0 HB VAL A 3 -10.334 12.764 -9.003 1.00 34.25 H new ATOM 0 HG11 VAL A 3 -10.378 10.604 -10.235 1.00 53.14 H new ATOM 0 HG12 VAL A 3 -9.413 11.836 -11.083 1.00 53.14 H new ATOM 0 HG13 VAL A 3 -8.600 10.542 -10.172 1.00 53.14 H new ATOM 0 HG21 VAL A 3 -10.565 10.619 -7.738 1.00 42.32 H new ATOM 0 HG22 VAL A 3 -8.799 10.567 -7.523 1.00 42.32 H new ATOM 0 HG23 VAL A 3 -9.749 11.872 -6.773 1.00 42.32 H new ATOM 58 N GLY A 4 -7.068 13.462 -10.957 1.00 50.01 N ATOM 59 CA GLY A 4 -6.752 14.171 -12.205 1.00 55.31 C ATOM 60 C GLY A 4 -5.439 14.953 -12.142 1.00 30.32 C ATOM 61 O GLY A 4 -4.921 15.388 -13.172 1.00 14.22 O ATOM 0 H GLY A 4 -6.499 12.629 -10.807 1.00 50.01 H new ATOM 0 HA2 GLY A 4 -6.698 13.450 -13.021 1.00 55.31 H new ATOM 0 HA3 GLY A 4 -7.565 14.858 -12.440 1.00 55.31 H new ATOM 65 N SER A 5 -4.896 15.122 -10.923 1.00 11.44 N ATOM 66 CA SER A 5 -3.639 15.875 -10.686 1.00 23.01 C ATOM 67 C SER A 5 -2.395 15.000 -10.942 1.00 52.15 C ATOM 68 O SER A 5 -2.444 13.778 -10.782 1.00 35.44 O ATOM 69 CB SER A 5 -3.610 16.395 -9.233 1.00 14.35 C ATOM 70 OG SER A 5 -4.722 17.232 -8.962 1.00 71.21 O ATOM 0 H SER A 5 -5.311 14.743 -10.072 1.00 11.44 H new ATOM 0 HA SER A 5 -3.615 16.712 -11.384 1.00 23.01 H new ATOM 0 HB2 SER A 5 -3.611 15.551 -8.543 1.00 14.35 H new ATOM 0 HB3 SER A 5 -2.686 16.947 -9.061 1.00 14.35 H new ATOM 0 HG SER A 5 -4.706 18.003 -9.567 1.00 71.21 H new ATOM 76 N GLN A 6 -1.273 15.645 -11.312 1.00 64.24 N ATOM 77 CA GLN A 6 0.032 14.963 -11.467 1.00 32.14 C ATOM 78 C GLN A 6 0.966 15.391 -10.317 1.00 33.01 C ATOM 79 O GLN A 6 0.955 16.554 -9.905 1.00 70.02 O ATOM 80 CB GLN A 6 0.673 15.259 -12.856 1.00 70.24 C ATOM 81 CG GLN A 6 1.898 14.371 -13.190 1.00 12.24 C ATOM 82 CD GLN A 6 2.420 14.537 -14.618 1.00 20.23 C ATOM 83 OE1 GLN A 6 2.352 15.615 -15.202 1.00 64.14 O ATOM 84 NE2 GLN A 6 2.926 13.464 -15.201 1.00 72.45 N ATOM 0 H GLN A 6 -1.241 16.645 -11.511 1.00 64.24 H new ATOM 0 HA GLN A 6 -0.125 13.885 -11.419 1.00 32.14 H new ATOM 0 HB2 GLN A 6 -0.083 15.122 -13.629 1.00 70.24 H new ATOM 0 HB3 GLN A 6 0.977 16.305 -12.888 1.00 70.24 H new ATOM 0 HG2 GLN A 6 2.702 14.603 -12.492 1.00 12.24 H new ATOM 0 HG3 GLN A 6 1.630 13.326 -13.032 1.00 12.24 H new ATOM 0 HE21 GLN A 6 2.971 12.581 -14.693 1.00 72.45 H new ATOM 0 HE22 GLN A 6 3.272 13.519 -16.159 1.00 72.45 H new ATOM 93 N VAL A 7 1.754 14.439 -9.794 1.00 33.35 N ATOM 94 CA VAL A 7 2.590 14.626 -8.587 1.00 61.22 C ATOM 95 C VAL A 7 4.004 14.034 -8.793 1.00 20.00 C ATOM 96 O VAL A 7 4.206 13.169 -9.647 1.00 22.12 O ATOM 97 CB VAL A 7 1.922 13.955 -7.310 1.00 22.11 C ATOM 98 CG1 VAL A 7 0.533 14.570 -7.004 1.00 13.01 C ATOM 99 CG2 VAL A 7 1.820 12.411 -7.448 1.00 11.43 C ATOM 0 H VAL A 7 1.833 13.506 -10.198 1.00 33.35 H new ATOM 0 HA VAL A 7 2.672 15.700 -8.419 1.00 61.22 H new ATOM 0 HB VAL A 7 2.580 14.167 -6.467 1.00 22.11 H new ATOM 0 HG11 VAL A 7 0.107 14.087 -6.125 1.00 13.01 H new ATOM 0 HG12 VAL A 7 0.642 15.638 -6.814 1.00 13.01 H new ATOM 0 HG13 VAL A 7 -0.128 14.419 -7.857 1.00 13.01 H new ATOM 0 HG21 VAL A 7 1.358 11.995 -6.553 1.00 11.43 H new ATOM 0 HG22 VAL A 7 1.213 12.163 -8.319 1.00 11.43 H new ATOM 0 HG23 VAL A 7 2.818 11.990 -7.570 1.00 11.43 H new ATOM 109 N ILE A 8 4.975 14.524 -8.005 1.00 3.34 N ATOM 110 CA ILE A 8 6.299 13.886 -7.854 1.00 31.24 C ATOM 111 C ILE A 8 6.275 13.007 -6.586 1.00 53.01 C ATOM 112 O ILE A 8 5.866 13.457 -5.507 1.00 74.14 O ATOM 113 CB ILE A 8 7.459 14.949 -7.733 1.00 63.30 C ATOM 114 CG1 ILE A 8 7.482 15.897 -8.972 1.00 21.43 C ATOM 115 CG2 ILE A 8 8.846 14.264 -7.534 1.00 34.32 C ATOM 116 CD1 ILE A 8 7.801 15.229 -10.298 1.00 71.13 C ATOM 0 H ILE A 8 4.867 15.375 -7.453 1.00 3.34 H new ATOM 0 HA ILE A 8 6.496 13.288 -8.743 1.00 31.24 H new ATOM 0 HB ILE A 8 7.258 15.551 -6.847 1.00 63.30 H new ATOM 0 HG12 ILE A 8 6.510 16.383 -9.054 1.00 21.43 H new ATOM 0 HG13 ILE A 8 8.217 16.682 -8.794 1.00 21.43 H new ATOM 0 HG21 ILE A 8 9.621 15.027 -7.455 1.00 34.32 H new ATOM 0 HG22 ILE A 8 8.830 13.667 -6.622 1.00 34.32 H new ATOM 0 HG23 ILE A 8 9.059 13.618 -8.386 1.00 34.32 H new ATOM 0 HD11 ILE A 8 7.792 15.975 -11.093 1.00 71.13 H new ATOM 0 HD12 ILE A 8 8.787 14.768 -10.245 1.00 71.13 H new ATOM 0 HD13 ILE A 8 7.054 14.464 -10.509 1.00 71.13 H new ATOM 128 N ILE A 9 6.690 11.752 -6.732 1.00 31.54 N ATOM 129 CA ILE A 9 6.708 10.774 -5.628 1.00 50.42 C ATOM 130 C ILE A 9 7.989 10.958 -4.781 1.00 63.22 C ATOM 131 O ILE A 9 9.091 10.990 -5.320 1.00 41.25 O ATOM 132 CB ILE A 9 6.625 9.325 -6.222 1.00 5.45 C ATOM 133 CG1 ILE A 9 5.407 9.225 -7.205 1.00 24.21 C ATOM 134 CG2 ILE A 9 6.544 8.253 -5.101 1.00 4.22 C ATOM 135 CD1 ILE A 9 5.364 7.972 -8.053 1.00 14.25 C ATOM 0 H ILE A 9 7.026 11.375 -7.618 1.00 31.54 H new ATOM 0 HA ILE A 9 5.849 10.934 -4.976 1.00 50.42 H new ATOM 0 HB ILE A 9 7.539 9.125 -6.780 1.00 5.45 H new ATOM 0 HG12 ILE A 9 4.486 9.283 -6.624 1.00 24.21 H new ATOM 0 HG13 ILE A 9 5.422 10.091 -7.866 1.00 24.21 H new ATOM 0 HG21 ILE A 9 6.488 7.261 -5.549 1.00 4.22 H new ATOM 0 HG22 ILE A 9 7.432 8.317 -4.472 1.00 4.22 H new ATOM 0 HG23 ILE A 9 5.656 8.428 -4.494 1.00 4.22 H new ATOM 0 HD11 ILE A 9 4.485 7.999 -8.698 1.00 14.25 H new ATOM 0 HD12 ILE A 9 6.263 7.917 -8.667 1.00 14.25 H new ATOM 0 HD13 ILE A 9 5.313 7.096 -7.406 1.00 14.25 H new ATOM 147 N ASN A 10 7.834 11.115 -3.460 1.00 33.23 N ATOM 148 CA ASN A 10 8.973 11.357 -2.544 1.00 73.45 C ATOM 149 C ASN A 10 9.430 10.033 -1.892 1.00 13.31 C ATOM 150 O ASN A 10 10.561 9.582 -2.096 1.00 44.44 O ATOM 151 CB ASN A 10 8.581 12.390 -1.463 1.00 72.50 C ATOM 152 CG ASN A 10 8.087 13.723 -2.029 1.00 51.30 C ATOM 153 OD1 ASN A 10 7.264 14.417 -1.269 1.00 72.03 O flip ATOM 154 ND2 ASN A 10 8.458 14.138 -3.125 1.00 34.43 N flip ATOM 0 H ASN A 10 6.928 11.080 -2.993 1.00 33.23 H new ATOM 0 HA ASN A 10 9.806 11.760 -3.120 1.00 73.45 H new ATOM 0 HB2 ASN A 10 7.801 11.963 -0.832 1.00 72.50 H new ATOM 0 HB3 ASN A 10 9.443 12.576 -0.822 1.00 72.50 H new ATOM 0 HD21 ASN A 10 9.096 13.580 -3.693 1.00 34.43 H new ATOM 0 HD22 ASN A 10 8.128 15.041 -3.467 1.00 34.43 H new ATOM 161 N THR A 11 8.534 9.416 -1.106 1.00 72.15 N ATOM 162 CA THR A 11 8.765 8.084 -0.505 1.00 51.35 C ATOM 163 C THR A 11 8.212 7.003 -1.448 1.00 12.35 C ATOM 164 O THR A 11 7.135 7.173 -2.032 1.00 32.02 O ATOM 165 CB THR A 11 8.086 7.967 0.903 1.00 32.35 C ATOM 166 OG1 THR A 11 8.692 8.894 1.824 1.00 4.04 O ATOM 167 CG2 THR A 11 8.155 6.537 1.480 1.00 24.32 C ATOM 0 H THR A 11 7.629 9.822 -0.867 1.00 72.15 H new ATOM 0 HA THR A 11 9.837 7.945 -0.368 1.00 51.35 H new ATOM 0 HB THR A 11 7.032 8.211 0.768 1.00 32.35 H new ATOM 0 HG1 THR A 11 8.260 8.814 2.700 1.00 4.04 H new ATOM 0 HG21 THR A 11 7.670 6.515 2.456 1.00 24.32 H new ATOM 0 HG22 THR A 11 7.646 5.848 0.806 1.00 24.32 H new ATOM 0 HG23 THR A 11 9.198 6.237 1.586 1.00 24.32 H new ATOM 175 N SER A 12 8.932 5.874 -1.570 1.00 35.44 N ATOM 176 CA SER A 12 8.578 4.813 -2.522 1.00 3.51 C ATOM 177 C SER A 12 8.589 3.417 -1.870 1.00 22.11 C ATOM 178 O SER A 12 9.436 3.103 -1.033 1.00 53.35 O ATOM 179 CB SER A 12 9.539 4.846 -3.722 1.00 54.01 C ATOM 180 OG SER A 12 10.871 4.520 -3.349 1.00 3.12 O ATOM 0 H SER A 12 9.766 5.675 -1.017 1.00 35.44 H new ATOM 0 HA SER A 12 7.560 5.002 -2.861 1.00 3.51 H new ATOM 0 HB2 SER A 12 9.194 4.145 -4.482 1.00 54.01 H new ATOM 0 HB3 SER A 12 9.522 5.838 -4.173 1.00 54.01 H new ATOM 0 HG SER A 12 11.326 4.090 -4.103 1.00 3.12 H new ATOM 186 N HIS A 13 7.599 2.613 -2.267 1.00 33.24 N ATOM 187 CA HIS A 13 7.496 1.179 -1.949 1.00 1.32 C ATOM 188 C HIS A 13 8.302 0.363 -2.992 1.00 24.43 C ATOM 189 O HIS A 13 8.927 -0.652 -2.668 1.00 1.24 O ATOM 190 CB HIS A 13 6.001 0.761 -1.963 1.00 51.20 C ATOM 191 CG HIS A 13 5.121 1.618 -1.080 1.00 44.22 C ATOM 192 ND1 HIS A 13 4.604 1.145 0.091 1.00 61.32 N ATOM 193 CD2 HIS A 13 4.689 2.898 -1.261 1.00 62.55 C ATOM 194 CE1 HIS A 13 3.875 2.128 0.583 1.00 42.11 C ATOM 195 NE2 HIS A 13 3.898 3.202 -0.201 1.00 30.52 N ATOM 0 H HIS A 13 6.822 2.948 -2.836 1.00 33.24 H new ATOM 0 HA HIS A 13 7.908 0.982 -0.959 1.00 1.32 H new ATOM 0 HB2 HIS A 13 5.629 0.808 -2.987 1.00 51.20 H new ATOM 0 HB3 HIS A 13 5.920 -0.278 -1.642 1.00 51.20 H new ATOM 0 HD2 HIS A 13 4.930 3.547 -2.090 1.00 62.55 H new ATOM 0 HE1 HIS A 13 3.326 2.068 1.511 1.00 42.11 H new ATOM 0 HE2 HIS A 13 3.414 4.085 -0.037 1.00 30.52 H new ATOM 203 N MET A 14 8.238 0.822 -4.262 1.00 74.22 N ATOM 204 CA MET A 14 9.092 0.333 -5.372 1.00 33.30 C ATOM 205 C MET A 14 10.264 1.323 -5.588 1.00 33.35 C ATOM 206 O MET A 14 10.026 2.517 -5.685 1.00 42.00 O ATOM 207 CB MET A 14 8.255 0.216 -6.686 1.00 42.21 C ATOM 208 CG MET A 14 7.003 -0.670 -6.580 1.00 62.43 C ATOM 209 SD MET A 14 6.186 -0.912 -8.176 1.00 70.30 S ATOM 210 CE MET A 14 4.817 -1.994 -7.750 1.00 21.55 C ATOM 0 H MET A 14 7.585 1.551 -4.550 1.00 74.22 H new ATOM 0 HA MET A 14 9.483 -0.652 -5.116 1.00 33.30 H new ATOM 0 HB2 MET A 14 7.950 1.216 -6.995 1.00 42.21 H new ATOM 0 HB3 MET A 14 8.896 -0.179 -7.474 1.00 42.21 H new ATOM 0 HG2 MET A 14 7.282 -1.640 -6.168 1.00 62.43 H new ATOM 0 HG3 MET A 14 6.300 -0.217 -5.881 1.00 62.43 H new ATOM 0 HE1 MET A 14 4.103 -2.019 -8.573 1.00 21.55 H new ATOM 0 HE2 MET A 14 5.193 -3.000 -7.565 1.00 21.55 H new ATOM 0 HE3 MET A 14 4.323 -1.620 -6.853 1.00 21.55 H new ATOM 220 N LYS A 15 11.520 0.829 -5.662 1.00 52.14 N ATOM 221 CA LYS A 15 12.722 1.703 -5.862 1.00 13.52 C ATOM 222 C LYS A 15 12.622 2.593 -7.136 1.00 44.42 C ATOM 223 O LYS A 15 13.001 3.768 -7.113 1.00 41.14 O ATOM 224 CB LYS A 15 14.054 0.890 -5.875 1.00 34.21 C ATOM 225 CG LYS A 15 14.160 -0.276 -6.904 1.00 72.15 C ATOM 226 CD LYS A 15 13.550 -1.599 -6.380 1.00 75.23 C ATOM 227 CE LYS A 15 13.805 -2.800 -7.307 1.00 13.00 C ATOM 228 NZ LYS A 15 13.400 -4.084 -6.672 1.00 34.51 N ATOM 0 H LYS A 15 11.738 -0.165 -5.588 1.00 52.14 H new ATOM 0 HA LYS A 15 12.737 2.367 -4.998 1.00 13.52 H new ATOM 0 HB2 LYS A 15 14.873 1.584 -6.064 1.00 34.21 H new ATOM 0 HB3 LYS A 15 14.209 0.477 -4.878 1.00 34.21 H new ATOM 0 HG2 LYS A 15 13.654 0.012 -7.825 1.00 72.15 H new ATOM 0 HG3 LYS A 15 15.208 -0.439 -7.154 1.00 72.15 H new ATOM 0 HD2 LYS A 15 13.963 -1.816 -5.395 1.00 75.23 H new ATOM 0 HD3 LYS A 15 12.475 -1.469 -6.253 1.00 75.23 H new ATOM 0 HE2 LYS A 15 13.253 -2.665 -8.237 1.00 13.00 H new ATOM 0 HE3 LYS A 15 14.863 -2.841 -7.567 1.00 13.00 H new ATOM 0 HZ1 LYS A 15 13.587 -4.870 -7.327 1.00 34.51 H new ATOM 0 HZ2 LYS A 15 13.944 -4.226 -5.797 1.00 34.51 H new ATOM 0 HZ3 LYS A 15 12.385 -4.055 -6.447 1.00 34.51 H new ATOM 242 N GLY A 16 12.054 2.038 -8.225 1.00 44.45 N ATOM 243 CA GLY A 16 11.864 2.786 -9.484 1.00 63.30 C ATOM 244 C GLY A 16 10.708 3.798 -9.454 1.00 1.45 C ATOM 245 O GLY A 16 10.460 4.488 -10.439 1.00 75.21 O ATOM 0 H GLY A 16 11.719 1.075 -8.258 1.00 44.45 H new ATOM 0 HA2 GLY A 16 12.787 3.315 -9.721 1.00 63.30 H new ATOM 0 HA3 GLY A 16 11.687 2.075 -10.291 1.00 63.30 H new ATOM 249 N MET A 17 10.020 3.905 -8.309 1.00 32.30 N ATOM 250 CA MET A 17 8.857 4.793 -8.144 1.00 54.24 C ATOM 251 C MET A 17 9.282 6.170 -7.577 1.00 71.20 C ATOM 252 O MET A 17 8.611 7.181 -7.809 1.00 53.51 O ATOM 253 CB MET A 17 7.805 4.106 -7.235 1.00 41.34 C ATOM 254 CG MET A 17 6.472 4.845 -7.150 1.00 54.31 C ATOM 255 SD MET A 17 5.152 3.890 -6.395 1.00 64.03 S ATOM 256 CE MET A 17 5.657 3.858 -4.696 1.00 3.12 C ATOM 0 H MET A 17 10.254 3.377 -7.468 1.00 32.30 H new ATOM 0 HA MET A 17 8.409 4.975 -9.121 1.00 54.24 H new ATOM 0 HB2 MET A 17 7.625 3.097 -7.606 1.00 41.34 H new ATOM 0 HB3 MET A 17 8.218 4.008 -6.231 1.00 41.34 H new ATOM 0 HG2 MET A 17 6.613 5.763 -6.580 1.00 54.31 H new ATOM 0 HG3 MET A 17 6.166 5.137 -8.155 1.00 54.31 H new ATOM 0 HE1 MET A 17 5.259 2.965 -4.215 1.00 3.12 H new ATOM 0 HE2 MET A 17 6.745 3.845 -4.640 1.00 3.12 H new ATOM 0 HE3 MET A 17 5.278 4.744 -4.187 1.00 3.12 H new ATOM 266 N LYS A 18 10.419 6.204 -6.855 1.00 30.42 N ATOM 267 CA LYS A 18 10.930 7.436 -6.214 1.00 33.12 C ATOM 268 C LYS A 18 11.383 8.479 -7.272 1.00 65.04 C ATOM 269 O LYS A 18 12.209 8.185 -8.142 1.00 40.50 O ATOM 270 CB LYS A 18 12.094 7.091 -5.252 1.00 24.11 C ATOM 271 CG LYS A 18 12.569 8.267 -4.369 1.00 52.15 C ATOM 272 CD LYS A 18 13.654 7.857 -3.342 1.00 70.22 C ATOM 273 CE LYS A 18 14.964 7.404 -4.005 1.00 71.11 C ATOM 274 NZ LYS A 18 15.561 8.476 -4.844 1.00 43.51 N ATOM 0 H LYS A 18 11.007 5.385 -6.699 1.00 30.42 H new ATOM 0 HA LYS A 18 10.118 7.883 -5.640 1.00 33.12 H new ATOM 0 HB2 LYS A 18 11.782 6.271 -4.605 1.00 24.11 H new ATOM 0 HB3 LYS A 18 12.939 6.731 -5.839 1.00 24.11 H new ATOM 0 HG2 LYS A 18 12.963 9.057 -5.008 1.00 52.15 H new ATOM 0 HG3 LYS A 18 11.713 8.683 -3.838 1.00 52.15 H new ATOM 0 HD2 LYS A 18 13.859 8.700 -2.682 1.00 70.22 H new ATOM 0 HD3 LYS A 18 13.270 7.050 -2.718 1.00 70.22 H new ATOM 0 HE2 LYS A 18 15.676 7.106 -3.235 1.00 71.11 H new ATOM 0 HE3 LYS A 18 14.774 6.525 -4.621 1.00 71.11 H new ATOM 0 HZ1 LYS A 18 16.526 8.203 -5.121 1.00 43.51 H new ATOM 0 HZ2 LYS A 18 14.981 8.613 -5.697 1.00 43.51 H new ATOM 0 HZ3 LYS A 18 15.594 9.363 -4.302 1.00 43.51 H new ATOM 288 N GLY A 19 10.792 9.681 -7.193 1.00 53.13 N ATOM 289 CA GLY A 19 11.095 10.791 -8.112 1.00 75.13 C ATOM 290 C GLY A 19 10.226 10.804 -9.379 1.00 60.04 C ATOM 291 O GLY A 19 10.213 11.800 -10.112 1.00 30.40 O ATOM 0 H GLY A 19 10.090 9.912 -6.490 1.00 53.13 H new ATOM 0 HA2 GLY A 19 10.963 11.735 -7.583 1.00 75.13 H new ATOM 0 HA3 GLY A 19 12.144 10.733 -8.403 1.00 75.13 H new ATOM 295 N ALA A 20 9.492 9.695 -9.626 1.00 33.43 N ATOM 296 CA ALA A 20 8.651 9.519 -10.834 1.00 3.02 C ATOM 297 C ALA A 20 7.377 10.397 -10.793 1.00 24.20 C ATOM 298 O ALA A 20 6.899 10.781 -9.718 1.00 40.31 O ATOM 299 CB ALA A 20 8.280 8.033 -11.005 1.00 0.00 C ATOM 0 H ALA A 20 9.466 8.896 -8.993 1.00 33.43 H new ATOM 0 HA ALA A 20 9.235 9.847 -11.694 1.00 3.02 H new ATOM 0 HB1 ALA A 20 7.662 7.912 -11.895 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.189 7.441 -11.111 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.726 7.693 -10.130 1.00 0.00 H new ATOM 305 N GLU A 21 6.840 10.706 -11.986 1.00 13.35 N ATOM 306 CA GLU A 21 5.630 11.535 -12.139 1.00 31.52 C ATOM 307 C GLU A 21 4.362 10.660 -12.161 1.00 21.54 C ATOM 308 O GLU A 21 4.031 10.041 -13.182 1.00 4.50 O ATOM 309 CB GLU A 21 5.716 12.418 -13.415 1.00 51.14 C ATOM 310 CG GLU A 21 6.871 13.453 -13.410 1.00 33.15 C ATOM 311 CD GLU A 21 8.198 12.975 -14.056 1.00 14.14 C ATOM 312 OE1 GLU A 21 8.832 12.030 -13.547 1.00 64.22 O ATOM 313 OE2 GLU A 21 8.623 13.571 -15.072 1.00 70.00 O ATOM 0 H GLU A 21 7.232 10.388 -12.872 1.00 13.35 H new ATOM 0 HA GLU A 21 5.568 12.198 -11.276 1.00 31.52 H new ATOM 0 HB2 GLU A 21 5.832 11.769 -14.283 1.00 51.14 H new ATOM 0 HB3 GLU A 21 4.772 12.948 -13.538 1.00 51.14 H new ATOM 0 HG2 GLU A 21 6.535 14.349 -13.932 1.00 33.15 H new ATOM 0 HG3 GLU A 21 7.073 13.742 -12.378 1.00 33.15 H new ATOM 320 N ALA A 22 3.675 10.599 -11.010 1.00 72.40 N ATOM 321 CA ALA A 22 2.406 9.848 -10.862 1.00 33.34 C ATOM 322 C ALA A 22 1.198 10.733 -11.192 1.00 21.14 C ATOM 323 O ALA A 22 1.281 11.946 -11.128 1.00 13.03 O ATOM 324 CB ALA A 22 2.278 9.278 -9.446 1.00 53.34 C ATOM 0 H ALA A 22 3.977 11.065 -10.155 1.00 72.40 H new ATOM 0 HA ALA A 22 2.424 9.020 -11.571 1.00 33.34 H new ATOM 0 HB1 ALA A 22 1.340 8.730 -9.358 1.00 53.34 H new ATOM 0 HB2 ALA A 22 3.112 8.604 -9.248 1.00 53.34 H new ATOM 0 HB3 ALA A 22 2.291 10.094 -8.723 1.00 53.34 H new ATOM 330 N THR A 23 0.070 10.110 -11.536 1.00 65.21 N ATOM 331 CA THR A 23 -1.196 10.829 -11.792 1.00 12.52 C ATOM 332 C THR A 23 -2.327 10.134 -11.019 1.00 52.32 C ATOM 333 O THR A 23 -2.535 8.931 -11.168 1.00 33.53 O ATOM 334 CB THR A 23 -1.530 10.904 -13.318 1.00 30.22 C ATOM 335 OG1 THR A 23 -0.425 11.502 -14.020 1.00 11.32 O ATOM 336 CG2 THR A 23 -2.806 11.728 -13.601 1.00 31.34 C ATOM 0 H THR A 23 -0.000 9.098 -11.647 1.00 65.21 H new ATOM 0 HA THR A 23 -1.088 11.857 -11.446 1.00 12.52 H new ATOM 0 HB THR A 23 -1.706 9.885 -13.663 1.00 30.22 H new ATOM 0 HG1 THR A 23 -0.632 11.548 -14.977 1.00 11.32 H new ATOM 0 HG21 THR A 23 -2.994 11.750 -14.674 1.00 31.34 H new ATOM 0 HG22 THR A 23 -3.655 11.270 -13.093 1.00 31.34 H new ATOM 0 HG23 THR A 23 -2.670 12.746 -13.236 1.00 31.34 H new ATOM 344 N VAL A 24 -3.053 10.910 -10.207 1.00 12.02 N ATOM 345 CA VAL A 24 -4.028 10.380 -9.239 1.00 40.23 C ATOM 346 C VAL A 24 -5.323 9.950 -9.964 1.00 22.21 C ATOM 347 O VAL A 24 -6.131 10.783 -10.359 1.00 71.15 O ATOM 348 CB VAL A 24 -4.338 11.442 -8.123 1.00 42.32 C ATOM 349 CG1 VAL A 24 -5.277 10.864 -7.029 1.00 24.13 C ATOM 350 CG2 VAL A 24 -3.024 11.995 -7.508 1.00 63.31 C ATOM 0 H VAL A 24 -2.983 11.928 -10.200 1.00 12.02 H new ATOM 0 HA VAL A 24 -3.596 9.503 -8.757 1.00 40.23 H new ATOM 0 HB VAL A 24 -4.865 12.273 -8.592 1.00 42.32 H new ATOM 0 HG11 VAL A 24 -5.469 11.627 -6.274 1.00 24.13 H new ATOM 0 HG12 VAL A 24 -6.219 10.557 -7.483 1.00 24.13 H new ATOM 0 HG13 VAL A 24 -4.802 10.002 -6.561 1.00 24.13 H new ATOM 0 HG21 VAL A 24 -3.263 12.728 -6.738 1.00 63.31 H new ATOM 0 HG22 VAL A 24 -2.457 11.176 -7.066 1.00 63.31 H new ATOM 0 HG23 VAL A 24 -2.428 12.469 -8.288 1.00 63.31 H new ATOM 360 N THR A 25 -5.481 8.641 -10.172 1.00 11.10 N ATOM 361 CA THR A 25 -6.646 8.065 -10.879 1.00 22.03 C ATOM 362 C THR A 25 -7.735 7.586 -9.886 1.00 72.23 C ATOM 363 O THR A 25 -8.859 7.270 -10.292 1.00 52.12 O ATOM 364 CB THR A 25 -6.198 6.881 -11.797 1.00 63.44 C ATOM 365 OG1 THR A 25 -5.644 5.814 -11.001 1.00 43.01 O ATOM 366 CG2 THR A 25 -5.146 7.331 -12.838 1.00 35.25 C ATOM 0 H THR A 25 -4.808 7.942 -9.857 1.00 11.10 H new ATOM 0 HA THR A 25 -7.078 8.852 -11.497 1.00 22.03 H new ATOM 0 HB THR A 25 -7.083 6.530 -12.328 1.00 63.44 H new ATOM 0 HG1 THR A 25 -5.383 6.163 -10.123 1.00 43.01 H new ATOM 0 HG21 THR A 25 -4.860 6.481 -13.457 1.00 35.25 H new ATOM 0 HG22 THR A 25 -5.569 8.113 -13.469 1.00 35.25 H new ATOM 0 HG23 THR A 25 -4.266 7.717 -12.323 1.00 35.25 H new ATOM 374 N GLY A 26 -7.395 7.548 -8.583 1.00 10.44 N ATOM 375 CA GLY A 26 -8.345 7.177 -7.523 1.00 75.01 C ATOM 376 C GLY A 26 -7.924 7.721 -6.155 1.00 61.15 C ATOM 377 O GLY A 26 -6.725 7.860 -5.884 1.00 2.43 O ATOM 0 H GLY A 26 -6.461 7.772 -8.240 1.00 10.44 H new ATOM 0 HA2 GLY A 26 -9.335 7.557 -7.775 1.00 75.01 H new ATOM 0 HA3 GLY A 26 -8.424 6.091 -7.472 1.00 75.01 H new ATOM 381 N ALA A 27 -8.908 8.026 -5.286 1.00 44.21 N ATOM 382 CA ALA A 27 -8.665 8.566 -3.925 1.00 25.15 C ATOM 383 C ALA A 27 -9.590 7.877 -2.889 1.00 31.21 C ATOM 384 O ALA A 27 -10.817 7.943 -3.001 1.00 13.12 O ATOM 385 CB ALA A 27 -8.865 10.092 -3.928 1.00 10.12 C ATOM 0 H ALA A 27 -9.897 7.906 -5.504 1.00 44.21 H new ATOM 0 HA ALA A 27 -7.636 8.354 -3.635 1.00 25.15 H new ATOM 0 HB1 ALA A 27 -8.686 10.484 -2.927 1.00 10.12 H new ATOM 0 HB2 ALA A 27 -8.165 10.549 -4.628 1.00 10.12 H new ATOM 0 HB3 ALA A 27 -9.886 10.325 -4.231 1.00 10.12 H new ATOM 391 N TYR A 28 -8.981 7.203 -1.893 1.00 63.21 N ATOM 392 CA TYR A 28 -9.699 6.344 -0.914 1.00 43.11 C ATOM 393 C TYR A 28 -9.438 6.839 0.537 1.00 34.44 C ATOM 394 O TYR A 28 -8.299 6.811 1.007 1.00 22.31 O ATOM 395 CB TYR A 28 -9.226 4.863 -1.058 1.00 1.50 C ATOM 396 CG TYR A 28 -9.437 4.211 -2.449 1.00 13.43 C ATOM 397 CD1 TYR A 28 -8.717 4.638 -3.575 1.00 35.01 C ATOM 398 CD2 TYR A 28 -10.340 3.155 -2.630 1.00 14.02 C ATOM 399 CE1 TYR A 28 -8.888 4.043 -4.815 1.00 32.44 C ATOM 400 CE2 TYR A 28 -10.512 2.558 -3.869 1.00 4.20 C ATOM 401 CZ TYR A 28 -9.787 3.006 -4.959 1.00 55.52 C ATOM 402 OH TYR A 28 -9.957 2.410 -6.196 1.00 22.22 O ATOM 0 H TYR A 28 -7.973 7.235 -1.739 1.00 63.21 H new ATOM 0 HA TYR A 28 -10.768 6.403 -1.119 1.00 43.11 H new ATOM 0 HB2 TYR A 28 -8.164 4.817 -0.815 1.00 1.50 H new ATOM 0 HB3 TYR A 28 -9.750 4.262 -0.315 1.00 1.50 H new ATOM 0 HD1 TYR A 28 -8.012 5.450 -3.473 1.00 35.01 H new ATOM 0 HD2 TYR A 28 -10.914 2.799 -1.787 1.00 14.02 H new ATOM 0 HE1 TYR A 28 -8.320 4.390 -5.665 1.00 32.44 H new ATOM 0 HE2 TYR A 28 -11.212 1.743 -3.984 1.00 4.20 H new ATOM 0 HH TYR A 28 -10.625 1.696 -6.126 1.00 22.22 H new ATOM 412 N ASP A 29 -10.501 7.270 1.242 1.00 34.25 N ATOM 413 CA ASP A 29 -10.404 7.761 2.639 1.00 72.01 C ATOM 414 C ASP A 29 -10.729 6.613 3.651 1.00 54.24 C ATOM 415 O ASP A 29 -11.869 6.438 4.110 1.00 13.43 O ATOM 416 CB ASP A 29 -11.311 9.020 2.831 1.00 30.11 C ATOM 417 CG ASP A 29 -12.813 8.772 2.557 1.00 52.14 C ATOM 418 OD1 ASP A 29 -13.173 8.415 1.413 1.00 34.33 O ATOM 419 OD2 ASP A 29 -13.639 8.901 3.490 1.00 4.34 O ATOM 0 H ASP A 29 -11.449 7.290 0.866 1.00 34.25 H new ATOM 0 HA ASP A 29 -9.380 8.072 2.845 1.00 72.01 H new ATOM 0 HB2 ASP A 29 -11.195 9.384 3.852 1.00 30.11 H new ATOM 0 HB3 ASP A 29 -10.959 9.811 2.169 1.00 30.11 H new ATOM 424 N THR A 30 -9.704 5.792 3.959 1.00 42.31 N ATOM 425 CA THR A 30 -9.857 4.559 4.784 1.00 73.55 C ATOM 426 C THR A 30 -8.748 4.444 5.863 1.00 41.33 C ATOM 427 O THR A 30 -7.913 5.335 6.006 1.00 43.43 O ATOM 428 CB THR A 30 -9.849 3.291 3.851 1.00 24.24 C ATOM 429 OG1 THR A 30 -10.047 2.078 4.607 1.00 64.41 O ATOM 430 CG2 THR A 30 -8.550 3.181 3.035 1.00 21.23 C ATOM 0 H THR A 30 -8.747 5.958 3.648 1.00 42.31 H new ATOM 0 HA THR A 30 -10.812 4.620 5.307 1.00 73.55 H new ATOM 0 HB THR A 30 -10.680 3.417 3.157 1.00 24.24 H new ATOM 0 HG1 THR A 30 -10.039 1.309 4.000 1.00 64.41 H new ATOM 0 HG21 THR A 30 -8.590 2.292 2.406 1.00 21.23 H new ATOM 0 HG22 THR A 30 -8.439 4.065 2.407 1.00 21.23 H new ATOM 0 HG23 THR A 30 -7.700 3.108 3.713 1.00 21.23 H new ATOM 438 N THR A 31 -8.774 3.351 6.647 1.00 32.43 N ATOM 439 CA THR A 31 -7.676 3.006 7.580 1.00 31.11 C ATOM 440 C THR A 31 -6.649 2.097 6.864 1.00 5.44 C ATOM 441 O THR A 31 -7.027 1.088 6.289 1.00 1.43 O ATOM 442 CB THR A 31 -8.213 2.260 8.853 1.00 44.34 C ATOM 443 OG1 THR A 31 -9.312 2.986 9.426 1.00 33.10 O ATOM 444 CG2 THR A 31 -7.122 2.083 9.932 1.00 64.44 C ATOM 0 H THR A 31 -9.547 2.685 6.655 1.00 32.43 H new ATOM 0 HA THR A 31 -7.206 3.937 7.896 1.00 31.11 H new ATOM 0 HB THR A 31 -8.536 1.272 8.526 1.00 44.34 H new ATOM 0 HG1 THR A 31 -9.640 2.511 10.218 1.00 33.10 H new ATOM 0 HG21 THR A 31 -7.542 1.562 10.792 1.00 64.44 H new ATOM 0 HG22 THR A 31 -6.297 1.501 9.523 1.00 64.44 H new ATOM 0 HG23 THR A 31 -6.756 3.061 10.244 1.00 64.44 H new ATOM 452 N ALA A 32 -5.362 2.455 6.918 1.00 11.45 N ATOM 453 CA ALA A 32 -4.261 1.646 6.354 1.00 72.51 C ATOM 454 C ALA A 32 -3.394 1.050 7.487 1.00 22.11 C ATOM 455 O ALA A 32 -3.372 1.565 8.613 1.00 74.53 O ATOM 456 CB ALA A 32 -3.417 2.498 5.407 1.00 11.15 C ATOM 0 H ALA A 32 -5.046 3.320 7.356 1.00 11.45 H new ATOM 0 HA ALA A 32 -4.685 0.818 5.785 1.00 72.51 H new ATOM 0 HB1 ALA A 32 -2.608 1.893 4.997 1.00 11.15 H new ATOM 0 HB2 ALA A 32 -4.043 2.867 4.594 1.00 11.15 H new ATOM 0 HB3 ALA A 32 -2.997 3.342 5.954 1.00 11.15 H new ATOM 462 N TYR A 33 -2.672 -0.035 7.177 1.00 70.14 N ATOM 463 CA TYR A 33 -1.898 -0.812 8.175 1.00 30.10 C ATOM 464 C TYR A 33 -0.487 -1.157 7.649 1.00 30.21 C ATOM 465 O TYR A 33 -0.265 -1.327 6.441 1.00 34.41 O ATOM 466 CB TYR A 33 -2.645 -2.125 8.555 1.00 3.42 C ATOM 467 CG TYR A 33 -4.027 -1.921 9.196 1.00 34.43 C ATOM 468 CD1 TYR A 33 -4.153 -1.664 10.561 1.00 41.11 C ATOM 469 CD2 TYR A 33 -5.203 -1.980 8.437 1.00 40.30 C ATOM 470 CE1 TYR A 33 -5.392 -1.466 11.140 1.00 74.11 C ATOM 471 CE2 TYR A 33 -6.441 -1.785 9.017 1.00 62.34 C ATOM 472 CZ TYR A 33 -6.530 -1.530 10.367 1.00 44.41 C ATOM 473 OH TYR A 33 -7.763 -1.333 10.954 1.00 44.52 O ATOM 0 H TYR A 33 -2.603 -0.405 6.229 1.00 70.14 H new ATOM 0 HA TYR A 33 -1.796 -0.187 9.062 1.00 30.10 H new ATOM 0 HB2 TYR A 33 -2.763 -2.732 7.657 1.00 3.42 H new ATOM 0 HB3 TYR A 33 -2.021 -2.694 9.244 1.00 3.42 H new ATOM 0 HD1 TYR A 33 -3.267 -1.619 11.176 1.00 41.11 H new ATOM 0 HD2 TYR A 33 -5.140 -2.182 7.378 1.00 40.30 H new ATOM 0 HE1 TYR A 33 -5.468 -1.261 12.198 1.00 74.11 H new ATOM 0 HE2 TYR A 33 -7.336 -1.832 8.414 1.00 62.34 H new ATOM 0 HH TYR A 33 -8.465 -1.409 10.274 1.00 44.52 H new ATOM 483 N VAL A 34 0.444 -1.253 8.602 1.00 61.13 N ATOM 484 CA VAL A 34 1.815 -1.746 8.390 1.00 34.34 C ATOM 485 C VAL A 34 1.895 -3.167 8.994 1.00 11.25 C ATOM 486 O VAL A 34 1.808 -3.312 10.213 1.00 42.33 O ATOM 487 CB VAL A 34 2.858 -0.790 9.094 1.00 10.05 C ATOM 488 CG1 VAL A 34 4.311 -1.269 8.880 1.00 42.41 C ATOM 489 CG2 VAL A 34 2.677 0.676 8.624 1.00 34.33 C ATOM 0 H VAL A 34 0.264 -0.984 9.569 1.00 61.13 H new ATOM 0 HA VAL A 34 2.053 -1.768 7.327 1.00 34.34 H new ATOM 0 HB VAL A 34 2.660 -0.827 10.165 1.00 10.05 H new ATOM 0 HG11 VAL A 34 4.997 -0.585 9.380 1.00 42.41 H new ATOM 0 HG12 VAL A 34 4.429 -2.270 9.296 1.00 42.41 H new ATOM 0 HG13 VAL A 34 4.533 -1.291 7.813 1.00 42.41 H new ATOM 0 HG21 VAL A 34 3.408 1.311 9.125 1.00 34.33 H new ATOM 0 HG22 VAL A 34 2.825 0.733 7.546 1.00 34.33 H new ATOM 0 HG23 VAL A 34 1.671 1.016 8.871 1.00 34.33 H new ATOM 499 N VAL A 35 2.003 -4.213 8.146 1.00 43.22 N ATOM 500 CA VAL A 35 1.952 -5.632 8.611 1.00 35.34 C ATOM 501 C VAL A 35 3.219 -6.427 8.236 1.00 4.44 C ATOM 502 O VAL A 35 3.837 -6.197 7.205 1.00 3.03 O ATOM 503 CB VAL A 35 0.690 -6.387 8.044 1.00 43.03 C ATOM 504 CG1 VAL A 35 -0.623 -5.754 8.561 1.00 30.23 C ATOM 505 CG2 VAL A 35 0.716 -6.452 6.491 1.00 52.31 C ATOM 0 H VAL A 35 2.126 -4.111 7.139 1.00 43.22 H new ATOM 0 HA VAL A 35 1.887 -5.579 9.698 1.00 35.34 H new ATOM 0 HB VAL A 35 0.728 -7.412 8.413 1.00 43.03 H new ATOM 0 HG11 VAL A 35 -1.475 -6.297 8.152 1.00 30.23 H new ATOM 0 HG12 VAL A 35 -0.648 -5.806 9.649 1.00 30.23 H new ATOM 0 HG13 VAL A 35 -0.673 -4.712 8.247 1.00 30.23 H new ATOM 0 HG21 VAL A 35 -0.169 -6.979 6.134 1.00 52.31 H new ATOM 0 HG22 VAL A 35 0.724 -5.441 6.085 1.00 52.31 H new ATOM 0 HG23 VAL A 35 1.611 -6.982 6.164 1.00 52.31 H new ATOM 515 N SER A 36 3.576 -7.387 9.098 1.00 52.23 N ATOM 516 CA SER A 36 4.675 -8.346 8.856 1.00 32.44 C ATOM 517 C SER A 36 4.086 -9.753 8.679 1.00 63.20 C ATOM 518 O SER A 36 3.161 -10.112 9.390 1.00 30.42 O ATOM 519 CB SER A 36 5.666 -8.329 10.040 1.00 75.55 C ATOM 520 OG SER A 36 6.752 -9.230 9.846 1.00 62.55 O ATOM 0 H SER A 36 3.109 -7.526 9.994 1.00 52.23 H new ATOM 0 HA SER A 36 5.213 -8.061 7.952 1.00 32.44 H new ATOM 0 HB2 SER A 36 6.054 -7.319 10.173 1.00 75.55 H new ATOM 0 HB3 SER A 36 5.138 -8.591 10.957 1.00 75.55 H new ATOM 0 HG SER A 36 7.355 -9.186 10.617 1.00 62.55 H new ATOM 526 N TYR A 37 4.610 -10.537 7.725 1.00 61.01 N ATOM 527 CA TYR A 37 4.113 -11.902 7.434 1.00 12.12 C ATOM 528 C TYR A 37 5.166 -12.748 6.703 1.00 74.11 C ATOM 529 O TYR A 37 6.089 -12.221 6.081 1.00 74.21 O ATOM 530 CB TYR A 37 2.788 -11.872 6.607 1.00 53.21 C ATOM 531 CG TYR A 37 2.845 -11.115 5.264 1.00 13.02 C ATOM 532 CD1 TYR A 37 2.599 -9.737 5.207 1.00 60.14 C ATOM 533 CD2 TYR A 37 3.123 -11.772 4.057 1.00 63.20 C ATOM 534 CE1 TYR A 37 2.633 -9.050 4.011 1.00 22.01 C ATOM 535 CE2 TYR A 37 3.155 -11.082 2.856 1.00 34.15 C ATOM 536 CZ TYR A 37 2.910 -9.724 2.839 1.00 71.42 C ATOM 537 OH TYR A 37 2.939 -9.035 1.645 1.00 13.40 O ATOM 0 H TYR A 37 5.388 -10.249 7.132 1.00 61.01 H new ATOM 0 HA TYR A 37 3.907 -12.367 8.398 1.00 12.12 H new ATOM 0 HB2 TYR A 37 2.483 -12.900 6.409 1.00 53.21 H new ATOM 0 HB3 TYR A 37 2.009 -11.421 7.222 1.00 53.21 H new ATOM 0 HD1 TYR A 37 2.378 -9.201 6.118 1.00 60.14 H new ATOM 0 HD2 TYR A 37 3.316 -12.835 4.064 1.00 63.20 H new ATOM 0 HE1 TYR A 37 2.443 -7.987 3.992 1.00 22.01 H new ATOM 0 HE2 TYR A 37 3.371 -11.605 1.936 1.00 34.15 H new ATOM 0 HH TYR A 37 3.378 -8.169 1.778 1.00 13.40 H new ATOM 547 N THR A 38 4.994 -14.069 6.778 1.00 24.24 N ATOM 548 CA THR A 38 5.775 -15.026 5.983 1.00 31.22 C ATOM 549 C THR A 38 4.831 -15.603 4.900 1.00 35.15 C ATOM 550 O THR A 38 3.887 -16.319 5.246 1.00 52.50 O ATOM 551 CB THR A 38 6.374 -16.175 6.863 1.00 42.22 C ATOM 552 OG1 THR A 38 7.149 -15.608 7.941 1.00 42.32 O ATOM 553 CG2 THR A 38 7.265 -17.137 6.041 1.00 22.50 C ATOM 0 H THR A 38 4.309 -14.509 7.392 1.00 24.24 H new ATOM 0 HA THR A 38 6.626 -14.516 5.531 1.00 31.22 H new ATOM 0 HB THR A 38 5.539 -16.752 7.259 1.00 42.22 H new ATOM 0 HG1 THR A 38 7.521 -16.329 8.491 1.00 42.32 H new ATOM 0 HG21 THR A 38 7.658 -17.917 6.694 1.00 22.50 H new ATOM 0 HG22 THR A 38 6.673 -17.592 5.247 1.00 22.50 H new ATOM 0 HG23 THR A 38 8.093 -16.580 5.602 1.00 22.50 H new ATOM 561 N PRO A 39 5.023 -15.229 3.591 1.00 23.34 N ATOM 562 CA PRO A 39 4.122 -15.638 2.461 1.00 71.31 C ATOM 563 C PRO A 39 3.754 -17.153 2.403 1.00 41.00 C ATOM 564 O PRO A 39 4.513 -18.007 2.859 1.00 64.00 O ATOM 565 CB PRO A 39 4.941 -15.221 1.214 1.00 22.53 C ATOM 566 CG PRO A 39 5.734 -14.037 1.671 1.00 1.22 C ATOM 567 CD PRO A 39 6.121 -14.341 3.102 1.00 35.51 C ATOM 0 HA PRO A 39 3.144 -15.167 2.559 1.00 71.31 H new ATOM 0 HB2 PRO A 39 5.591 -16.029 0.877 1.00 22.53 H new ATOM 0 HB3 PRO A 39 4.290 -14.965 0.378 1.00 22.53 H new ATOM 0 HG2 PRO A 39 6.616 -13.891 1.048 1.00 1.22 H new ATOM 0 HG3 PRO A 39 5.145 -13.122 1.609 1.00 1.22 H new ATOM 0 HD2 PRO A 39 7.090 -14.837 3.157 1.00 35.51 H new ATOM 0 HD3 PRO A 39 6.194 -13.431 3.698 1.00 35.51 H new ATOM 575 N THR A 40 2.573 -17.458 1.817 1.00 43.03 N ATOM 576 CA THR A 40 2.053 -18.841 1.654 1.00 15.34 C ATOM 577 C THR A 40 2.938 -19.698 0.710 1.00 34.33 C ATOM 578 O THR A 40 2.929 -20.929 0.806 1.00 0.34 O ATOM 579 CB THR A 40 0.580 -18.846 1.112 1.00 11.20 C ATOM 580 OG1 THR A 40 0.545 -18.320 -0.226 1.00 41.51 O ATOM 581 CG2 THR A 40 -0.367 -18.021 2.004 1.00 25.15 C ATOM 0 H THR A 40 1.947 -16.747 1.440 1.00 43.03 H new ATOM 0 HA THR A 40 2.075 -19.284 2.650 1.00 15.34 H new ATOM 0 HB THR A 40 0.237 -19.881 1.119 1.00 11.20 H new ATOM 0 HG1 THR A 40 -0.377 -18.328 -0.557 1.00 41.51 H new ATOM 0 HG21 THR A 40 -1.375 -18.052 1.591 1.00 25.15 H new ATOM 0 HG22 THR A 40 -0.374 -18.438 3.011 1.00 25.15 H new ATOM 0 HG23 THR A 40 -0.023 -16.988 2.042 1.00 25.15 H new ATOM 589 N ASN A 41 3.696 -19.038 -0.202 1.00 75.24 N ATOM 590 CA ASN A 41 4.714 -19.729 -1.041 1.00 33.52 C ATOM 591 C ASN A 41 5.904 -20.243 -0.175 1.00 41.40 C ATOM 592 O ASN A 41 6.653 -21.128 -0.597 1.00 53.10 O ATOM 593 CB ASN A 41 5.232 -18.807 -2.187 1.00 32.11 C ATOM 594 CG ASN A 41 5.824 -17.478 -1.698 1.00 74.13 C ATOM 595 OD1 ASN A 41 5.082 -16.396 -1.841 1.00 62.41 O flip ATOM 596 ND2 ASN A 41 6.961 -17.418 -1.242 1.00 63.13 N flip ATOM 0 H ASN A 41 3.624 -18.036 -0.376 1.00 75.24 H new ATOM 0 HA ASN A 41 4.225 -20.590 -1.497 1.00 33.52 H new ATOM 0 HB2 ASN A 41 5.991 -19.344 -2.756 1.00 32.11 H new ATOM 0 HB3 ASN A 41 4.409 -18.597 -2.871 1.00 32.11 H new ATOM 0 HD21 ASN A 41 7.515 -18.268 -1.141 1.00 63.13 H new ATOM 0 HD22 ASN A 41 7.352 -16.518 -0.964 1.00 63.13 H new ATOM 603 N GLY A 42 6.055 -19.661 1.033 1.00 43.45 N ATOM 604 CA GLY A 42 7.026 -20.124 2.039 1.00 54.45 C ATOM 605 C GLY A 42 8.466 -19.664 1.801 1.00 72.01 C ATOM 606 O GLY A 42 9.400 -20.258 2.358 1.00 74.12 O ATOM 0 H GLY A 42 5.506 -18.857 1.336 1.00 43.45 H new ATOM 0 HA2 GLY A 42 6.705 -19.775 3.020 1.00 54.45 H new ATOM 0 HA3 GLY A 42 7.007 -21.213 2.067 1.00 54.45 H new ATOM 610 N GLY A 43 8.658 -18.605 0.987 1.00 74.52 N ATOM 611 CA GLY A 43 10.000 -18.075 0.692 1.00 73.53 C ATOM 612 C GLY A 43 10.479 -17.041 1.722 1.00 51.43 C ATOM 613 O GLY A 43 10.426 -17.300 2.932 1.00 34.31 O ATOM 0 H GLY A 43 7.900 -18.103 0.524 1.00 74.52 H new ATOM 0 HA2 GLY A 43 10.711 -18.901 0.657 1.00 73.53 H new ATOM 0 HA3 GLY A 43 9.994 -17.618 -0.297 1.00 73.53 H new ATOM 617 N GLN A 44 10.960 -15.875 1.244 1.00 41.30 N ATOM 618 CA GLN A 44 11.450 -14.781 2.113 1.00 75.42 C ATOM 619 C GLN A 44 10.288 -14.103 2.882 1.00 11.15 C ATOM 620 O GLN A 44 9.255 -13.757 2.292 1.00 65.30 O ATOM 621 CB GLN A 44 12.227 -13.734 1.257 1.00 72.14 C ATOM 622 CG GLN A 44 11.393 -13.078 0.122 1.00 52.52 C ATOM 623 CD GLN A 44 12.164 -12.087 -0.763 1.00 51.54 C ATOM 624 OE1 GLN A 44 11.880 -11.947 -1.950 1.00 11.22 O ATOM 625 NE2 GLN A 44 13.116 -11.368 -0.203 1.00 31.51 N ATOM 0 H GLN A 44 11.020 -15.664 0.248 1.00 41.30 H new ATOM 0 HA GLN A 44 12.125 -15.210 2.854 1.00 75.42 H new ATOM 0 HB2 GLN A 44 12.599 -12.950 1.916 1.00 72.14 H new ATOM 0 HB3 GLN A 44 13.098 -14.219 0.816 1.00 72.14 H new ATOM 0 HG2 GLN A 44 10.986 -13.866 -0.511 1.00 52.52 H new ATOM 0 HG3 GLN A 44 10.545 -12.559 0.569 1.00 52.52 H new ATOM 0 HE21 GLN A 44 13.339 -11.497 0.784 1.00 31.51 H new ATOM 0 HE22 GLN A 44 13.630 -10.682 -0.757 1.00 31.51 H new ATOM 634 N ARG A 45 10.445 -13.978 4.211 1.00 4.40 N ATOM 635 CA ARG A 45 9.529 -13.191 5.067 1.00 55.23 C ATOM 636 C ARG A 45 9.460 -11.706 4.613 1.00 12.52 C ATOM 637 O ARG A 45 10.489 -11.079 4.345 1.00 45.43 O ATOM 638 CB ARG A 45 10.005 -13.267 6.544 1.00 70.34 C ATOM 639 CG ARG A 45 9.059 -12.600 7.576 1.00 0.44 C ATOM 640 CD ARG A 45 9.685 -12.492 8.979 1.00 63.10 C ATOM 641 NE ARG A 45 10.134 -13.795 9.511 1.00 71.11 N ATOM 642 CZ ARG A 45 11.048 -13.963 10.451 1.00 75.21 C ATOM 643 NH1 ARG A 45 11.681 -12.952 10.973 1.00 70.45 N ATOM 644 NH2 ARG A 45 11.337 -15.152 10.853 1.00 30.50 N ATOM 0 H ARG A 45 11.208 -14.418 4.725 1.00 4.40 H new ATOM 0 HA ARG A 45 8.530 -13.616 4.976 1.00 55.23 H new ATOM 0 HB2 ARG A 45 10.132 -14.315 6.815 1.00 70.34 H new ATOM 0 HB3 ARG A 45 10.986 -12.798 6.618 1.00 70.34 H new ATOM 0 HG2 ARG A 45 8.791 -11.603 7.225 1.00 0.44 H new ATOM 0 HG3 ARG A 45 8.135 -13.175 7.639 1.00 0.44 H new ATOM 0 HD2 ARG A 45 10.534 -11.809 8.941 1.00 63.10 H new ATOM 0 HD3 ARG A 45 8.957 -12.057 9.664 1.00 63.10 H new ATOM 0 HE ARG A 45 9.704 -14.634 9.121 1.00 71.11 H new ATOM 0 HH11 ARG A 45 11.476 -12.004 10.658 1.00 70.45 H new ATOM 0 HH12 ARG A 45 12.382 -13.108 11.697 1.00 70.45 H new ATOM 0 HH21 ARG A 45 10.861 -15.958 10.446 1.00 30.50 H new ATOM 0 HH22 ARG A 45 12.041 -15.288 11.578 1.00 30.50 H new ATOM 658 N VAL A 46 8.237 -11.169 4.509 1.00 2.15 N ATOM 659 CA VAL A 46 7.996 -9.751 4.161 1.00 21.14 C ATOM 660 C VAL A 46 7.514 -8.973 5.405 1.00 43.41 C ATOM 661 O VAL A 46 6.382 -9.150 5.858 1.00 44.45 O ATOM 662 CB VAL A 46 6.951 -9.626 2.995 1.00 31.22 C ATOM 663 CG1 VAL A 46 6.681 -8.137 2.628 1.00 70.34 C ATOM 664 CG2 VAL A 46 7.423 -10.441 1.759 1.00 0.24 C ATOM 0 H VAL A 46 7.381 -11.702 4.663 1.00 2.15 H new ATOM 0 HA VAL A 46 8.936 -9.319 3.817 1.00 21.14 H new ATOM 0 HB VAL A 46 6.005 -10.045 3.338 1.00 31.22 H new ATOM 0 HG11 VAL A 46 5.953 -8.088 1.818 1.00 70.34 H new ATOM 0 HG12 VAL A 46 6.289 -7.613 3.500 1.00 70.34 H new ATOM 0 HG13 VAL A 46 7.611 -7.666 2.309 1.00 70.34 H new ATOM 0 HG21 VAL A 46 6.689 -10.346 0.958 1.00 0.24 H new ATOM 0 HG22 VAL A 46 8.385 -10.059 1.417 1.00 0.24 H new ATOM 0 HG23 VAL A 46 7.526 -11.491 2.033 1.00 0.24 H new ATOM 674 N ASP A 47 8.385 -8.102 5.933 1.00 13.32 N ATOM 675 CA ASP A 47 8.119 -7.313 7.157 1.00 33.52 C ATOM 676 C ASP A 47 7.748 -5.854 6.807 1.00 74.14 C ATOM 677 O ASP A 47 8.230 -5.310 5.802 1.00 12.33 O ATOM 678 CB ASP A 47 9.353 -7.345 8.097 1.00 43.54 C ATOM 679 CG ASP A 47 10.632 -6.781 7.444 1.00 31.52 C ATOM 680 OD1 ASP A 47 11.194 -7.442 6.548 1.00 10.34 O ATOM 681 OD2 ASP A 47 11.081 -5.673 7.815 1.00 61.53 O ATOM 0 H ASP A 47 9.302 -7.920 5.525 1.00 13.32 H new ATOM 0 HA ASP A 47 7.271 -7.763 7.673 1.00 33.52 H new ATOM 0 HB2 ASP A 47 9.130 -6.772 8.997 1.00 43.54 H new ATOM 0 HB3 ASP A 47 9.536 -8.373 8.410 1.00 43.54 H new ATOM 686 N HIS A 48 6.893 -5.239 7.656 1.00 3.44 N ATOM 687 CA HIS A 48 6.506 -3.806 7.562 1.00 71.40 C ATOM 688 C HIS A 48 5.916 -3.428 6.169 1.00 60.24 C ATOM 689 O HIS A 48 6.086 -2.298 5.687 1.00 13.52 O ATOM 690 CB HIS A 48 7.720 -2.905 7.947 1.00 32.22 C ATOM 691 CG HIS A 48 8.344 -3.263 9.276 1.00 65.21 C ATOM 692 ND1 HIS A 48 9.632 -3.728 9.399 1.00 42.02 N ATOM 693 CD2 HIS A 48 7.846 -3.237 10.534 1.00 62.41 C ATOM 694 CE1 HIS A 48 9.898 -3.983 10.662 1.00 11.34 C ATOM 695 NE2 HIS A 48 8.835 -3.693 11.370 1.00 51.02 N ATOM 0 H HIS A 48 6.446 -5.725 8.434 1.00 3.44 H new ATOM 0 HA HIS A 48 5.700 -3.631 8.274 1.00 71.40 H new ATOM 0 HB2 HIS A 48 8.478 -2.980 7.168 1.00 32.22 H new ATOM 0 HB3 HIS A 48 7.395 -1.865 7.977 1.00 32.22 H new ATOM 0 HD1 HIS A 48 10.285 -3.856 8.626 1.00 42.02 H new ATOM 0 HD2 HIS A 48 6.856 -2.918 10.826 1.00 62.41 H new ATOM 0 HE1 HIS A 48 10.831 -4.365 11.048 1.00 11.34 H new ATOM 704 N HIS A 49 5.198 -4.395 5.566 1.00 13.31 N ATOM 705 CA HIS A 49 4.558 -4.249 4.244 1.00 44.42 C ATOM 706 C HIS A 49 3.489 -3.131 4.265 1.00 63.52 C ATOM 707 O HIS A 49 2.546 -3.160 5.072 1.00 63.22 O ATOM 708 CB HIS A 49 3.930 -5.600 3.803 1.00 32.11 C ATOM 709 CG HIS A 49 3.338 -5.593 2.402 1.00 61.30 C ATOM 710 ND1 HIS A 49 4.047 -6.066 1.325 1.00 60.02 N ATOM 711 CD2 HIS A 49 2.125 -5.157 1.965 1.00 22.43 C ATOM 712 CE1 HIS A 49 3.265 -5.909 0.272 1.00 31.51 C ATOM 713 NE2 HIS A 49 2.094 -5.363 0.610 1.00 62.23 N ATOM 0 H HIS A 49 5.044 -5.311 5.988 1.00 13.31 H new ATOM 0 HA HIS A 49 5.323 -3.965 3.521 1.00 44.42 H new ATOM 0 HB2 HIS A 49 4.694 -6.376 3.857 1.00 32.11 H new ATOM 0 HB3 HIS A 49 3.149 -5.872 4.513 1.00 32.11 H new ATOM 0 HD2 HIS A 49 1.338 -4.731 2.570 1.00 22.43 H new ATOM 0 HE1 HIS A 49 3.538 -6.187 -0.735 1.00 31.51 H new ATOM 0 HE2 HIS A 49 1.323 -5.141 -0.020 1.00 62.23 H new ATOM 721 N LYS A 50 3.663 -2.143 3.375 1.00 1.20 N ATOM 722 CA LYS A 50 2.740 -1.000 3.235 1.00 20.41 C ATOM 723 C LYS A 50 2.161 -0.925 1.788 1.00 73.31 C ATOM 724 O LYS A 50 2.859 -1.247 0.829 1.00 71.40 O ATOM 725 CB LYS A 50 3.480 0.324 3.531 1.00 4.40 C ATOM 726 CG LYS A 50 4.142 0.463 4.920 1.00 64.51 C ATOM 727 CD LYS A 50 4.793 1.860 5.098 1.00 25.12 C ATOM 728 CE LYS A 50 5.835 2.172 4.001 1.00 0.32 C ATOM 729 NZ LYS A 50 6.252 3.592 3.993 1.00 4.24 N ATOM 0 H LYS A 50 4.451 -2.111 2.728 1.00 1.20 H new ATOM 0 HA LYS A 50 1.927 -1.145 3.946 1.00 20.41 H new ATOM 0 HB2 LYS A 50 4.252 0.457 2.773 1.00 4.40 H new ATOM 0 HB3 LYS A 50 2.771 1.143 3.411 1.00 4.40 H new ATOM 0 HG2 LYS A 50 3.395 0.306 5.698 1.00 64.51 H new ATOM 0 HG3 LYS A 50 4.899 -0.312 5.043 1.00 64.51 H new ATOM 0 HD2 LYS A 50 4.016 2.624 5.084 1.00 25.12 H new ATOM 0 HD3 LYS A 50 5.273 1.912 6.075 1.00 25.12 H new ATOM 0 HE2 LYS A 50 6.712 1.542 4.149 1.00 0.32 H new ATOM 0 HE3 LYS A 50 5.419 1.915 3.027 1.00 0.32 H new ATOM 0 HZ1 LYS A 50 7.265 3.655 3.768 1.00 4.24 H new ATOM 0 HZ2 LYS A 50 5.705 4.110 3.276 1.00 4.24 H new ATOM 0 HZ3 LYS A 50 6.079 4.010 4.930 1.00 4.24 H new ATOM 743 N TRP A 51 0.888 -0.528 1.605 1.00 2.34 N ATOM 744 CA TRP A 51 -0.139 -0.425 2.670 1.00 31.11 C ATOM 745 C TRP A 51 -1.199 -1.515 2.463 1.00 62.33 C ATOM 746 O TRP A 51 -1.524 -1.863 1.336 1.00 73.01 O ATOM 747 CB TRP A 51 -0.823 0.977 2.662 1.00 22.31 C ATOM 748 CG TRP A 51 0.127 2.118 2.937 1.00 23.34 C ATOM 749 CD1 TRP A 51 0.794 2.875 2.016 1.00 75.45 C ATOM 750 CD2 TRP A 51 0.517 2.619 4.225 1.00 74.42 C ATOM 751 NE1 TRP A 51 1.580 3.797 2.649 1.00 52.42 N ATOM 752 CE2 TRP A 51 1.422 3.674 4.001 1.00 13.34 C ATOM 753 CE3 TRP A 51 0.184 2.291 5.547 1.00 2.53 C ATOM 754 CZ2 TRP A 51 2.007 4.388 5.041 1.00 74.22 C ATOM 755 CZ3 TRP A 51 0.765 3.001 6.580 1.00 61.22 C ATOM 756 CH2 TRP A 51 1.664 4.048 6.322 1.00 55.35 C ATOM 0 H TRP A 51 0.531 -0.261 0.688 1.00 2.34 H new ATOM 0 HA TRP A 51 0.352 -0.559 3.634 1.00 31.11 H new ATOM 0 HB2 TRP A 51 -1.296 1.135 1.693 1.00 22.31 H new ATOM 0 HB3 TRP A 51 -1.616 0.989 3.409 1.00 22.31 H new ATOM 0 HD1 TRP A 51 0.712 2.762 0.945 1.00 75.45 H new ATOM 0 HE1 TRP A 51 2.189 4.471 2.185 1.00 52.42 H new ATOM 0 HE3 TRP A 51 -0.516 1.495 5.755 1.00 2.53 H new ATOM 0 HZ2 TRP A 51 2.709 5.185 4.845 1.00 74.22 H new ATOM 0 HZ3 TRP A 51 0.524 2.747 7.602 1.00 61.22 H new ATOM 0 HH2 TRP A 51 2.093 4.595 7.149 1.00 55.35 H new ATOM 767 N VAL A 52 -1.720 -2.059 3.563 1.00 30.12 N ATOM 768 CA VAL A 52 -2.901 -2.944 3.527 1.00 63.35 C ATOM 769 C VAL A 52 -4.031 -2.245 4.286 1.00 41.42 C ATOM 770 O VAL A 52 -3.830 -1.766 5.403 1.00 43.12 O ATOM 771 CB VAL A 52 -2.603 -4.381 4.108 1.00 70.51 C ATOM 772 CG1 VAL A 52 -1.600 -5.148 3.207 1.00 74.31 C ATOM 773 CG2 VAL A 52 -2.092 -4.319 5.563 1.00 55.51 C ATOM 0 H VAL A 52 -1.345 -1.905 4.499 1.00 30.12 H new ATOM 0 HA VAL A 52 -3.193 -3.114 2.491 1.00 63.35 H new ATOM 0 HB VAL A 52 -3.547 -4.927 4.115 1.00 70.51 H new ATOM 0 HG11 VAL A 52 -1.412 -6.135 3.630 1.00 74.31 H new ATOM 0 HG12 VAL A 52 -2.019 -5.256 2.206 1.00 74.31 H new ATOM 0 HG13 VAL A 52 -0.664 -4.593 3.151 1.00 74.31 H new ATOM 0 HG21 VAL A 52 -1.899 -5.329 5.924 1.00 55.51 H new ATOM 0 HG22 VAL A 52 -1.170 -3.738 5.601 1.00 55.51 H new ATOM 0 HG23 VAL A 52 -2.845 -3.846 6.193 1.00 55.51 H new ATOM 783 N ILE A 53 -5.222 -2.157 3.686 1.00 51.42 N ATOM 784 CA ILE A 53 -6.303 -1.314 4.243 1.00 65.21 C ATOM 785 C ILE A 53 -7.394 -2.163 4.924 1.00 22.23 C ATOM 786 O ILE A 53 -7.450 -3.382 4.751 1.00 22.21 O ATOM 787 CB ILE A 53 -6.915 -0.332 3.167 1.00 23.22 C ATOM 788 CG1 ILE A 53 -7.687 -1.087 2.043 1.00 62.23 C ATOM 789 CG2 ILE A 53 -5.797 0.561 2.564 1.00 1.22 C ATOM 790 CD1 ILE A 53 -8.324 -0.193 0.982 1.00 55.34 C ATOM 0 H ILE A 53 -5.468 -2.649 2.827 1.00 51.42 H new ATOM 0 HA ILE A 53 -5.847 -0.690 5.012 1.00 65.21 H new ATOM 0 HB ILE A 53 -7.643 0.299 3.677 1.00 23.22 H new ATOM 0 HG12 ILE A 53 -7.000 -1.775 1.551 1.00 62.23 H new ATOM 0 HG13 ILE A 53 -8.468 -1.692 2.503 1.00 62.23 H new ATOM 0 HG21 ILE A 53 -6.229 1.234 1.824 1.00 1.22 H new ATOM 0 HG22 ILE A 53 -5.330 1.145 3.357 1.00 1.22 H new ATOM 0 HG23 ILE A 53 -5.046 -0.069 2.087 1.00 1.22 H new ATOM 0 HD11 ILE A 53 -8.837 -0.811 0.245 1.00 55.34 H new ATOM 0 HD12 ILE A 53 -9.041 0.478 1.455 1.00 55.34 H new ATOM 0 HD13 ILE A 53 -7.550 0.393 0.487 1.00 55.34 H new ATOM 802 N GLN A 54 -8.221 -1.495 5.740 1.00 71.01 N ATOM 803 CA GLN A 54 -9.316 -2.109 6.520 1.00 53.44 C ATOM 804 C GLN A 54 -10.284 -2.972 5.658 1.00 63.41 C ATOM 805 O GLN A 54 -10.713 -4.044 6.088 1.00 2.42 O ATOM 806 CB GLN A 54 -10.067 -0.969 7.254 1.00 25.04 C ATOM 807 CG GLN A 54 -11.171 -1.413 8.223 1.00 14.01 C ATOM 808 CD GLN A 54 -11.832 -0.228 8.928 1.00 10.42 C ATOM 809 OE1 GLN A 54 -12.802 0.340 8.438 1.00 0.31 O ATOM 810 NE2 GLN A 54 -11.313 0.154 10.075 1.00 61.21 N ATOM 0 H GLN A 54 -8.149 -0.488 5.883 1.00 71.01 H new ATOM 0 HA GLN A 54 -8.886 -2.811 7.235 1.00 53.44 H new ATOM 0 HB2 GLN A 54 -9.339 -0.378 7.809 1.00 25.04 H new ATOM 0 HB3 GLN A 54 -10.509 -0.310 6.506 1.00 25.04 H new ATOM 0 HG2 GLN A 54 -11.927 -1.976 7.676 1.00 14.01 H new ATOM 0 HG3 GLN A 54 -10.749 -2.087 8.968 1.00 14.01 H new ATOM 0 HE21 GLN A 54 -10.506 -0.338 10.458 1.00 61.21 H new ATOM 0 HE22 GLN A 54 -11.718 0.942 10.581 1.00 61.21 H new ATOM 819 N GLU A 55 -10.601 -2.514 4.438 1.00 34.41 N ATOM 820 CA GLU A 55 -11.452 -3.279 3.493 1.00 1.41 C ATOM 821 C GLU A 55 -10.685 -4.487 2.875 1.00 14.02 C ATOM 822 O GLU A 55 -11.277 -5.522 2.570 1.00 22.14 O ATOM 823 CB GLU A 55 -11.951 -2.333 2.372 1.00 30.12 C ATOM 824 CG GLU A 55 -12.942 -2.966 1.376 1.00 43.32 C ATOM 825 CD GLU A 55 -13.349 -2.007 0.247 1.00 75.51 C ATOM 826 OE1 GLU A 55 -14.267 -1.182 0.455 1.00 72.23 O ATOM 827 OE2 GLU A 55 -12.744 -2.065 -0.848 1.00 13.41 O ATOM 0 H GLU A 55 -10.283 -1.615 4.075 1.00 34.41 H new ATOM 0 HA GLU A 55 -12.302 -3.680 4.045 1.00 1.41 H new ATOM 0 HB2 GLU A 55 -12.426 -1.467 2.833 1.00 30.12 H new ATOM 0 HB3 GLU A 55 -11.088 -1.965 1.818 1.00 30.12 H new ATOM 0 HG2 GLU A 55 -12.493 -3.860 0.943 1.00 43.32 H new ATOM 0 HG3 GLU A 55 -13.835 -3.286 1.913 1.00 43.32 H new ATOM 834 N GLU A 56 -9.352 -4.344 2.760 1.00 40.20 N ATOM 835 CA GLU A 56 -8.456 -5.327 2.093 1.00 64.12 C ATOM 836 C GLU A 56 -8.130 -6.523 3.046 1.00 50.35 C ATOM 837 O GLU A 56 -7.646 -7.584 2.618 1.00 61.30 O ATOM 838 CB GLU A 56 -7.173 -4.574 1.620 1.00 22.30 C ATOM 839 CG GLU A 56 -6.130 -5.408 0.860 1.00 12.34 C ATOM 840 CD GLU A 56 -5.108 -4.545 0.089 1.00 74.51 C ATOM 841 OE1 GLU A 56 -5.373 -4.192 -1.085 1.00 61.24 O ATOM 842 OE2 GLU A 56 -4.054 -4.196 0.651 1.00 1.32 O ATOM 0 H GLU A 56 -8.853 -3.535 3.130 1.00 40.20 H new ATOM 0 HA GLU A 56 -8.949 -5.762 1.224 1.00 64.12 H new ATOM 0 HB2 GLU A 56 -7.479 -3.746 0.981 1.00 22.30 H new ATOM 0 HB3 GLU A 56 -6.690 -4.139 2.495 1.00 22.30 H new ATOM 0 HG2 GLU A 56 -5.598 -6.045 1.567 1.00 12.34 H new ATOM 0 HG3 GLU A 56 -6.642 -6.067 0.159 1.00 12.34 H new ATOM 849 N ILE A 57 -8.452 -6.338 4.342 1.00 75.21 N ATOM 850 CA ILE A 57 -8.310 -7.370 5.394 1.00 41.51 C ATOM 851 C ILE A 57 -9.714 -7.882 5.824 1.00 51.32 C ATOM 852 O ILE A 57 -10.662 -7.094 5.936 1.00 50.32 O ATOM 853 CB ILE A 57 -7.541 -6.793 6.646 1.00 65.33 C ATOM 854 CG1 ILE A 57 -6.125 -6.265 6.228 1.00 42.32 C ATOM 855 CG2 ILE A 57 -7.431 -7.849 7.776 1.00 72.22 C ATOM 856 CD1 ILE A 57 -5.318 -5.605 7.341 1.00 53.32 C ATOM 0 H ILE A 57 -8.823 -5.456 4.694 1.00 75.21 H new ATOM 0 HA ILE A 57 -7.731 -8.200 4.988 1.00 41.51 H new ATOM 0 HB ILE A 57 -8.116 -5.954 7.037 1.00 65.33 H new ATOM 0 HG12 ILE A 57 -5.548 -7.099 5.830 1.00 42.32 H new ATOM 0 HG13 ILE A 57 -6.248 -5.547 5.417 1.00 42.32 H new ATOM 0 HG21 ILE A 57 -6.896 -7.420 8.624 1.00 72.22 H new ATOM 0 HG22 ILE A 57 -8.430 -8.150 8.092 1.00 72.22 H new ATOM 0 HG23 ILE A 57 -6.889 -8.720 7.408 1.00 72.22 H new ATOM 0 HD11 ILE A 57 -4.356 -5.276 6.947 1.00 53.32 H new ATOM 0 HD12 ILE A 57 -5.866 -4.745 7.727 1.00 53.32 H new ATOM 0 HD13 ILE A 57 -5.154 -6.322 8.146 1.00 53.32 H new ATOM 868 N LYS A 58 -9.833 -9.202 6.050 1.00 3.41 N ATOM 869 CA LYS A 58 -11.099 -9.849 6.483 1.00 72.21 C ATOM 870 C LYS A 58 -11.388 -9.582 7.970 1.00 62.42 C ATOM 871 O LYS A 58 -12.442 -9.045 8.333 1.00 41.05 O ATOM 872 CB LYS A 58 -10.996 -11.367 6.227 1.00 2.11 C ATOM 873 CG LYS A 58 -12.245 -12.204 6.586 1.00 54.50 C ATOM 874 CD LYS A 58 -12.179 -13.622 5.970 1.00 65.23 C ATOM 875 CE LYS A 58 -10.910 -14.413 6.370 1.00 43.00 C ATOM 876 NZ LYS A 58 -10.687 -15.581 5.479 1.00 5.10 N ATOM 0 H LYS A 58 -9.058 -9.856 5.940 1.00 3.41 H new ATOM 0 HA LYS A 58 -11.923 -9.426 5.908 1.00 72.21 H new ATOM 0 HB2 LYS A 58 -10.771 -11.522 5.172 1.00 2.11 H new ATOM 0 HB3 LYS A 58 -10.149 -11.754 6.794 1.00 2.11 H new ATOM 0 HG2 LYS A 58 -12.332 -12.282 7.670 1.00 54.50 H new ATOM 0 HG3 LYS A 58 -13.140 -11.694 6.230 1.00 54.50 H new ATOM 0 HD2 LYS A 58 -13.060 -14.185 6.279 1.00 65.23 H new ATOM 0 HD3 LYS A 58 -12.218 -13.539 4.884 1.00 65.23 H new ATOM 0 HE2 LYS A 58 -10.043 -13.754 6.330 1.00 43.00 H new ATOM 0 HE3 LYS A 58 -11.004 -14.754 7.401 1.00 43.00 H new ATOM 0 HZ1 LYS A 58 -10.061 -16.264 5.952 1.00 5.10 H new ATOM 0 HZ2 LYS A 58 -11.598 -16.035 5.268 1.00 5.10 H new ATOM 0 HZ3 LYS A 58 -10.245 -15.262 4.593 1.00 5.10 H new ATOM 890 N ASP A 59 -10.412 -9.947 8.812 1.00 12.31 N ATOM 891 CA ASP A 59 -10.516 -9.874 10.286 1.00 23.23 C ATOM 892 C ASP A 59 -10.591 -8.419 10.825 1.00 53.20 C ATOM 893 O ASP A 59 -10.748 -8.227 12.039 1.00 52.42 O ATOM 894 CB ASP A 59 -9.325 -10.636 10.916 1.00 74.15 C ATOM 895 CG ASP A 59 -9.249 -12.102 10.454 1.00 22.32 C ATOM 896 OD1 ASP A 59 -8.781 -12.352 9.316 1.00 12.13 O ATOM 897 OD2 ASP A 59 -9.679 -13.004 11.201 1.00 43.35 O ATOM 0 H ASP A 59 -9.514 -10.307 8.490 1.00 12.31 H new ATOM 0 HA ASP A 59 -11.457 -10.343 10.574 1.00 23.23 H new ATOM 0 HB2 ASP A 59 -8.396 -10.129 10.657 1.00 74.15 H new ATOM 0 HB3 ASP A 59 -9.412 -10.605 12.002 1.00 74.15 H new ATOM 902 N ALA A 60 -10.442 -7.405 9.930 1.00 21.30 N ATOM 903 CA ALA A 60 -10.580 -5.971 10.278 1.00 51.40 C ATOM 904 C ALA A 60 -11.887 -5.641 11.021 1.00 40.30 C ATOM 905 O ALA A 60 -11.848 -4.954 12.031 1.00 74.24 O ATOM 906 CB ALA A 60 -10.422 -5.101 9.024 1.00 33.42 C ATOM 0 H ALA A 60 -10.223 -7.563 8.947 1.00 21.30 H new ATOM 0 HA ALA A 60 -9.777 -5.742 10.978 1.00 51.40 H new ATOM 0 HB1 ALA A 60 -10.526 -4.050 9.295 1.00 33.42 H new ATOM 0 HB2 ALA A 60 -9.437 -5.268 8.587 1.00 33.42 H new ATOM 0 HB3 ALA A 60 -11.191 -5.366 8.298 1.00 33.42 H new ATOM 912 N GLY A 61 -13.035 -6.086 10.486 1.00 53.12 N ATOM 913 CA GLY A 61 -14.330 -5.926 11.175 1.00 73.25 C ATOM 914 C GLY A 61 -14.798 -4.474 11.343 1.00 53.20 C ATOM 915 O GLY A 61 -15.552 -4.172 12.279 1.00 55.22 O ATOM 0 H GLY A 61 -13.095 -6.557 9.583 1.00 53.12 H new ATOM 0 HA2 GLY A 61 -15.090 -6.476 10.620 1.00 73.25 H new ATOM 0 HA3 GLY A 61 -14.260 -6.386 12.161 1.00 73.25 H new ATOM 919 N ASP A 62 -14.322 -3.589 10.443 1.00 35.42 N ATOM 920 CA ASP A 62 -14.573 -2.124 10.478 1.00 33.52 C ATOM 921 C ASP A 62 -13.949 -1.416 11.724 1.00 63.41 C ATOM 922 O ASP A 62 -14.279 -0.260 12.007 1.00 41.02 O ATOM 923 CB ASP A 62 -16.091 -1.804 10.356 1.00 2.34 C ATOM 924 CG ASP A 62 -16.707 -2.352 9.059 1.00 0.21 C ATOM 925 OD1 ASP A 62 -16.487 -1.749 7.988 1.00 3.20 O ATOM 926 OD2 ASP A 62 -17.419 -3.378 9.104 1.00 41.53 O ATOM 0 H ASP A 62 -13.741 -3.873 9.654 1.00 35.42 H new ATOM 0 HA ASP A 62 -14.062 -1.714 9.607 1.00 33.52 H new ATOM 0 HB2 ASP A 62 -16.618 -2.227 11.211 1.00 2.34 H new ATOM 0 HB3 ASP A 62 -16.235 -0.724 10.395 1.00 2.34 H new ATOM 931 N LYS A 63 -13.005 -2.083 12.422 1.00 52.43 N ATOM 932 CA LYS A 63 -12.325 -1.511 13.623 1.00 54.31 C ATOM 933 C LYS A 63 -10.809 -1.304 13.363 1.00 2.32 C ATOM 934 O LYS A 63 -10.299 -1.605 12.276 1.00 41.51 O ATOM 935 CB LYS A 63 -12.539 -2.419 14.877 1.00 20.03 C ATOM 936 CG LYS A 63 -11.811 -3.776 14.834 1.00 72.22 C ATOM 937 CD LYS A 63 -12.051 -4.639 16.093 1.00 30.41 C ATOM 938 CE LYS A 63 -11.389 -6.025 15.992 1.00 25.45 C ATOM 939 NZ LYS A 63 -11.655 -6.865 17.191 1.00 71.55 N ATOM 0 H LYS A 63 -12.690 -3.022 12.180 1.00 52.43 H new ATOM 0 HA LYS A 63 -12.776 -0.538 13.821 1.00 54.31 H new ATOM 0 HB2 LYS A 63 -12.208 -1.874 15.761 1.00 20.03 H new ATOM 0 HB3 LYS A 63 -13.607 -2.601 14.996 1.00 20.03 H new ATOM 0 HG2 LYS A 63 -12.140 -4.329 13.955 1.00 72.22 H new ATOM 0 HG3 LYS A 63 -10.741 -3.603 14.719 1.00 72.22 H new ATOM 0 HD2 LYS A 63 -11.662 -4.117 16.967 1.00 30.41 H new ATOM 0 HD3 LYS A 63 -13.123 -4.762 16.246 1.00 30.41 H new ATOM 0 HE2 LYS A 63 -11.757 -6.537 15.103 1.00 25.45 H new ATOM 0 HE3 LYS A 63 -10.313 -5.903 15.867 1.00 25.45 H new ATOM 0 HZ1 LYS A 63 -11.190 -7.788 17.078 1.00 71.55 H new ATOM 0 HZ2 LYS A 63 -11.281 -6.390 18.037 1.00 71.55 H new ATOM 0 HZ3 LYS A 63 -12.680 -7.004 17.297 1.00 71.55 H new ATOM 953 N THR A 64 -10.107 -0.784 14.387 1.00 24.33 N ATOM 954 CA THR A 64 -8.638 -0.627 14.368 1.00 62.44 C ATOM 955 C THR A 64 -7.966 -1.938 14.806 1.00 41.34 C ATOM 956 O THR A 64 -8.146 -2.385 15.948 1.00 20.22 O ATOM 957 CB THR A 64 -8.161 0.528 15.312 1.00 54.14 C ATOM 958 OG1 THR A 64 -8.755 1.765 14.900 1.00 31.21 O ATOM 959 CG2 THR A 64 -6.622 0.680 15.337 1.00 51.21 C ATOM 0 H THR A 64 -10.541 -0.460 15.252 1.00 24.33 H new ATOM 0 HA THR A 64 -8.352 -0.376 13.347 1.00 62.44 H new ATOM 0 HB THR A 64 -8.480 0.269 16.322 1.00 54.14 H new ATOM 0 HG1 THR A 64 -9.296 2.128 15.632 1.00 31.21 H new ATOM 0 HG21 THR A 64 -6.348 1.495 16.007 1.00 51.21 H new ATOM 0 HG22 THR A 64 -6.170 -0.247 15.689 1.00 51.21 H new ATOM 0 HG23 THR A 64 -6.262 0.900 14.332 1.00 51.21 H new ATOM 967 N LEU A 65 -7.233 -2.562 13.883 1.00 53.20 N ATOM 968 CA LEU A 65 -6.367 -3.709 14.194 1.00 44.04 C ATOM 969 C LEU A 65 -5.084 -3.215 14.891 1.00 54.32 C ATOM 970 O LEU A 65 -4.289 -2.471 14.306 1.00 1.03 O ATOM 971 CB LEU A 65 -6.058 -4.476 12.896 1.00 64.21 C ATOM 972 CG LEU A 65 -7.309 -4.972 12.117 1.00 62.21 C ATOM 973 CD1 LEU A 65 -6.906 -5.590 10.764 1.00 11.12 C ATOM 974 CD2 LEU A 65 -8.152 -5.943 12.988 1.00 1.32 C ATOM 0 H LEU A 65 -7.220 -2.290 12.900 1.00 53.20 H new ATOM 0 HA LEU A 65 -6.871 -4.392 14.878 1.00 44.04 H new ATOM 0 HB2 LEU A 65 -5.472 -3.832 12.241 1.00 64.21 H new ATOM 0 HB3 LEU A 65 -5.434 -5.336 13.139 1.00 64.21 H new ATOM 0 HG LEU A 65 -7.944 -4.114 11.894 1.00 62.21 H new ATOM 0 HD11 LEU A 65 -7.799 -5.929 10.239 1.00 11.12 H new ATOM 0 HD12 LEU A 65 -6.392 -4.842 10.161 1.00 11.12 H new ATOM 0 HD13 LEU A 65 -6.242 -6.437 10.934 1.00 11.12 H new ATOM 0 HD21 LEU A 65 -9.022 -6.277 12.422 1.00 1.32 H new ATOM 0 HD22 LEU A 65 -7.545 -6.805 13.263 1.00 1.32 H new ATOM 0 HD23 LEU A 65 -8.482 -5.429 13.891 1.00 1.32 H new ATOM 986 N GLN A 66 -4.913 -3.624 16.151 1.00 44.25 N ATOM 987 CA GLN A 66 -3.895 -3.060 17.059 1.00 74.04 C ATOM 988 C GLN A 66 -2.548 -3.824 16.954 1.00 4.12 C ATOM 989 O GLN A 66 -2.543 -5.026 16.657 1.00 14.11 O ATOM 990 CB GLN A 66 -4.464 -3.082 18.503 1.00 54.54 C ATOM 991 CG GLN A 66 -5.801 -2.324 18.647 1.00 23.12 C ATOM 992 CD GLN A 66 -6.376 -2.358 20.062 1.00 3.32 C ATOM 993 OE1 GLN A 66 -7.136 -3.250 20.417 1.00 11.34 O ATOM 994 NE2 GLN A 66 -6.011 -1.394 20.882 1.00 45.21 N ATOM 0 H GLN A 66 -5.477 -4.359 16.578 1.00 44.25 H new ATOM 0 HA GLN A 66 -3.677 -2.031 16.772 1.00 74.04 H new ATOM 0 HB2 GLN A 66 -4.606 -4.117 18.814 1.00 54.54 H new ATOM 0 HB3 GLN A 66 -3.732 -2.644 19.181 1.00 54.54 H new ATOM 0 HG2 GLN A 66 -5.654 -1.286 18.349 1.00 23.12 H new ATOM 0 HG3 GLN A 66 -6.528 -2.754 17.958 1.00 23.12 H new ATOM 0 HE21 GLN A 66 -5.376 -0.663 20.560 1.00 45.21 H new ATOM 0 HE22 GLN A 66 -6.363 -1.378 21.839 1.00 45.21 H new ATOM 1003 N PRO A 67 -1.379 -3.117 17.153 1.00 43.51 N ATOM 1004 CA PRO A 67 -0.023 -3.740 17.104 1.00 32.34 C ATOM 1005 C PRO A 67 0.122 -5.036 17.956 1.00 72.21 C ATOM 1006 O PRO A 67 0.005 -4.998 19.184 1.00 13.00 O ATOM 1007 CB PRO A 67 0.891 -2.611 17.632 1.00 72.04 C ATOM 1008 CG PRO A 67 0.193 -1.352 17.225 1.00 73.23 C ATOM 1009 CD PRO A 67 -1.283 -1.642 17.393 1.00 63.20 C ATOM 0 HA PRO A 67 0.221 -4.084 16.099 1.00 32.34 H new ATOM 0 HB2 PRO A 67 1.010 -2.668 18.714 1.00 72.04 H new ATOM 0 HB3 PRO A 67 1.889 -2.671 17.198 1.00 72.04 H new ATOM 0 HG2 PRO A 67 0.502 -0.512 17.847 1.00 73.23 H new ATOM 0 HG3 PRO A 67 0.427 -1.088 16.194 1.00 73.23 H new ATOM 0 HD2 PRO A 67 -1.634 -1.374 18.390 1.00 63.20 H new ATOM 0 HD3 PRO A 67 -1.886 -1.079 16.681 1.00 63.20 H new ATOM 1017 N GLY A 68 0.384 -6.172 17.275 1.00 34.12 N ATOM 1018 CA GLY A 68 0.494 -7.489 17.930 1.00 43.42 C ATOM 1019 C GLY A 68 -0.570 -8.513 17.513 1.00 31.32 C ATOM 1020 O GLY A 68 -0.343 -9.722 17.647 1.00 10.42 O ATOM 0 H GLY A 68 0.524 -6.201 16.265 1.00 34.12 H new ATOM 0 HA2 GLY A 68 1.479 -7.903 17.715 1.00 43.42 H new ATOM 0 HA3 GLY A 68 0.436 -7.347 19.009 1.00 43.42 H new ATOM 1024 N ASP A 69 -1.732 -8.051 17.006 1.00 52.32 N ATOM 1025 CA ASP A 69 -2.833 -8.955 16.575 1.00 32.55 C ATOM 1026 C ASP A 69 -2.569 -9.567 15.175 1.00 2.11 C ATOM 1027 O ASP A 69 -1.961 -8.930 14.314 1.00 41.41 O ATOM 1028 CB ASP A 69 -4.179 -8.198 16.579 1.00 73.23 C ATOM 1029 CG ASP A 69 -4.597 -7.752 17.988 1.00 3.15 C ATOM 1030 OD1 ASP A 69 -5.111 -8.591 18.760 1.00 53.51 O ATOM 1031 OD2 ASP A 69 -4.404 -6.571 18.339 1.00 61.15 O ATOM 0 H ASP A 69 -1.937 -7.060 16.883 1.00 52.32 H new ATOM 0 HA ASP A 69 -2.878 -9.777 17.289 1.00 32.55 H new ATOM 0 HB2 ASP A 69 -4.103 -7.324 15.932 1.00 73.23 H new ATOM 0 HB3 ASP A 69 -4.954 -8.839 16.159 1.00 73.23 H new ATOM 1036 N GLN A 70 -3.076 -10.801 14.951 1.00 65.43 N ATOM 1037 CA GLN A 70 -2.875 -11.543 13.683 1.00 52.43 C ATOM 1038 C GLN A 70 -4.167 -11.588 12.842 1.00 62.14 C ATOM 1039 O GLN A 70 -5.243 -11.908 13.353 1.00 44.12 O ATOM 1040 CB GLN A 70 -2.363 -12.984 13.942 1.00 54.35 C ATOM 1041 CG GLN A 70 -0.914 -13.081 14.459 1.00 54.54 C ATOM 1042 CD GLN A 70 -0.390 -14.522 14.519 1.00 20.00 C ATOM 1043 OE1 GLN A 70 -1.145 -15.467 14.736 1.00 22.41 O ATOM 1044 NE2 GLN A 70 0.897 -14.706 14.303 1.00 63.34 N ATOM 0 H GLN A 70 -3.633 -11.309 15.639 1.00 65.43 H new ATOM 0 HA GLN A 70 -2.115 -11.002 13.120 1.00 52.43 H new ATOM 0 HB2 GLN A 70 -3.023 -13.463 14.665 1.00 54.35 H new ATOM 0 HB3 GLN A 70 -2.440 -13.552 13.015 1.00 54.35 H new ATOM 0 HG2 GLN A 70 -0.264 -12.491 13.813 1.00 54.54 H new ATOM 0 HG3 GLN A 70 -0.860 -12.639 15.454 1.00 54.54 H new ATOM 0 HE21 GLN A 70 1.504 -13.906 14.125 1.00 63.34 H new ATOM 0 HE22 GLN A 70 1.286 -15.649 14.314 1.00 63.34 H new ATOM 1053 N VAL A 71 -4.032 -11.284 11.538 1.00 31.43 N ATOM 1054 CA VAL A 71 -5.162 -11.151 10.589 1.00 42.30 C ATOM 1055 C VAL A 71 -4.821 -11.799 9.222 1.00 14.44 C ATOM 1056 O VAL A 71 -3.648 -11.917 8.865 1.00 42.31 O ATOM 1057 CB VAL A 71 -5.529 -9.631 10.383 1.00 72.44 C ATOM 1058 CG1 VAL A 71 -6.029 -8.988 11.707 1.00 61.51 C ATOM 1059 CG2 VAL A 71 -4.329 -8.832 9.791 1.00 32.24 C ATOM 0 H VAL A 71 -3.123 -11.121 11.104 1.00 31.43 H new ATOM 0 HA VAL A 71 -6.020 -11.673 11.014 1.00 42.30 H new ATOM 0 HB VAL A 71 -6.345 -9.586 9.661 1.00 72.44 H new ATOM 0 HG11 VAL A 71 -6.274 -7.940 11.533 1.00 61.51 H new ATOM 0 HG12 VAL A 71 -6.917 -9.515 12.055 1.00 61.51 H new ATOM 0 HG13 VAL A 71 -5.247 -9.057 12.463 1.00 61.51 H new ATOM 0 HG21 VAL A 71 -4.615 -7.788 9.661 1.00 32.24 H new ATOM 0 HG22 VAL A 71 -3.480 -8.894 10.472 1.00 32.24 H new ATOM 0 HG23 VAL A 71 -4.051 -9.255 8.825 1.00 32.24 H new ATOM 1069 N ILE A 72 -5.857 -12.208 8.460 1.00 41.23 N ATOM 1070 CA ILE A 72 -5.686 -12.834 7.121 1.00 14.34 C ATOM 1071 C ILE A 72 -5.965 -11.782 6.008 1.00 55.42 C ATOM 1072 O ILE A 72 -6.944 -11.015 6.082 1.00 51.03 O ATOM 1073 CB ILE A 72 -6.615 -14.122 6.938 1.00 55.30 C ATOM 1074 CG1 ILE A 72 -6.109 -15.348 7.796 1.00 50.03 C ATOM 1075 CG2 ILE A 72 -6.758 -14.540 5.442 1.00 71.04 C ATOM 1076 CD1 ILE A 72 -6.173 -15.184 9.309 1.00 14.34 C ATOM 0 H ILE A 72 -6.831 -12.117 8.748 1.00 41.23 H new ATOM 0 HA ILE A 72 -4.655 -13.177 7.038 1.00 14.34 H new ATOM 0 HB ILE A 72 -7.600 -13.832 7.305 1.00 55.30 H new ATOM 0 HG12 ILE A 72 -6.697 -16.224 7.521 1.00 50.03 H new ATOM 0 HG13 ILE A 72 -5.076 -15.557 7.518 1.00 50.03 H new ATOM 0 HG21 ILE A 72 -7.398 -15.419 5.369 1.00 71.04 H new ATOM 0 HG22 ILE A 72 -7.201 -13.721 4.876 1.00 71.04 H new ATOM 0 HG23 ILE A 72 -5.775 -14.772 5.034 1.00 71.04 H new ATOM 0 HD11 ILE A 72 -5.800 -16.089 9.789 1.00 14.34 H new ATOM 0 HD12 ILE A 72 -5.560 -14.335 9.609 1.00 14.34 H new ATOM 0 HD13 ILE A 72 -7.205 -15.011 9.613 1.00 14.34 H new ATOM 1088 N LEU A 73 -5.086 -11.758 4.985 1.00 12.34 N ATOM 1089 CA LEU A 73 -5.177 -10.826 3.837 1.00 22.25 C ATOM 1090 C LEU A 73 -6.056 -11.426 2.707 1.00 70.11 C ATOM 1091 O LEU A 73 -5.732 -12.481 2.163 1.00 1.32 O ATOM 1092 CB LEU A 73 -3.746 -10.516 3.308 1.00 12.41 C ATOM 1093 CG LEU A 73 -2.739 -9.926 4.355 1.00 32.33 C ATOM 1094 CD1 LEU A 73 -1.341 -9.723 3.728 1.00 71.31 C ATOM 1095 CD2 LEU A 73 -3.273 -8.611 4.975 1.00 43.45 C ATOM 0 H LEU A 73 -4.286 -12.389 4.930 1.00 12.34 H new ATOM 0 HA LEU A 73 -5.647 -9.900 4.169 1.00 22.25 H new ATOM 0 HB2 LEU A 73 -3.322 -11.436 2.904 1.00 12.41 H new ATOM 0 HB3 LEU A 73 -3.831 -9.813 2.479 1.00 12.41 H new ATOM 0 HG LEU A 73 -2.640 -10.651 5.163 1.00 32.33 H new ATOM 0 HD11 LEU A 73 -0.663 -9.313 4.476 1.00 71.31 H new ATOM 0 HD12 LEU A 73 -0.957 -10.681 3.377 1.00 71.31 H new ATOM 0 HD13 LEU A 73 -1.416 -9.032 2.888 1.00 71.31 H new ATOM 0 HD21 LEU A 73 -2.550 -8.229 5.696 1.00 43.45 H new ATOM 0 HD22 LEU A 73 -3.424 -7.873 4.188 1.00 43.45 H new ATOM 0 HD23 LEU A 73 -4.220 -8.804 5.478 1.00 43.45 H new ATOM 1107 N GLU A 74 -7.179 -10.758 2.371 1.00 1.43 N ATOM 1108 CA GLU A 74 -8.080 -11.199 1.264 1.00 33.44 C ATOM 1109 C GLU A 74 -7.612 -10.704 -0.122 1.00 53.24 C ATOM 1110 O GLU A 74 -8.232 -11.030 -1.142 1.00 34.55 O ATOM 1111 CB GLU A 74 -9.528 -10.721 1.522 1.00 23.33 C ATOM 1112 CG GLU A 74 -10.168 -11.300 2.787 1.00 13.44 C ATOM 1113 CD GLU A 74 -10.331 -12.837 2.764 1.00 2.41 C ATOM 1114 OE1 GLU A 74 -11.306 -13.335 2.155 1.00 13.41 O ATOM 1115 OE2 GLU A 74 -9.494 -13.552 3.363 1.00 54.44 O ATOM 0 H GLU A 74 -7.491 -9.910 2.845 1.00 1.43 H new ATOM 0 HA GLU A 74 -8.045 -12.288 1.252 1.00 33.44 H new ATOM 0 HB2 GLU A 74 -9.532 -9.633 1.593 1.00 23.33 H new ATOM 0 HB3 GLU A 74 -10.144 -10.987 0.663 1.00 23.33 H new ATOM 0 HG2 GLU A 74 -9.561 -11.022 3.648 1.00 13.44 H new ATOM 0 HG3 GLU A 74 -11.148 -10.843 2.927 1.00 13.44 H new ATOM 1122 N ALA A 75 -6.535 -9.913 -0.157 1.00 5.22 N ATOM 1123 CA ALA A 75 -5.925 -9.428 -1.414 1.00 65.12 C ATOM 1124 C ALA A 75 -4.416 -9.705 -1.436 1.00 4.43 C ATOM 1125 O ALA A 75 -3.826 -10.137 -0.435 1.00 43.50 O ATOM 1126 CB ALA A 75 -6.200 -7.932 -1.597 1.00 30.00 C ATOM 0 H ALA A 75 -6.056 -9.587 0.682 1.00 5.22 H new ATOM 0 HA ALA A 75 -6.379 -9.970 -2.244 1.00 65.12 H new ATOM 0 HB1 ALA A 75 -5.745 -7.589 -2.526 1.00 30.00 H new ATOM 0 HB2 ALA A 75 -7.276 -7.762 -1.636 1.00 30.00 H new ATOM 0 HB3 ALA A 75 -5.775 -7.379 -0.759 1.00 30.00 H new ATOM 1132 N SER A 76 -3.798 -9.432 -2.592 1.00 62.51 N ATOM 1133 CA SER A 76 -2.362 -9.644 -2.799 1.00 4.12 C ATOM 1134 C SER A 76 -1.793 -8.625 -3.803 1.00 61.45 C ATOM 1135 O SER A 76 -2.320 -8.467 -4.908 1.00 64.31 O ATOM 1136 CB SER A 76 -2.120 -11.083 -3.303 1.00 65.23 C ATOM 1137 OG SER A 76 -2.838 -11.355 -4.492 1.00 11.35 O ATOM 0 H SER A 76 -4.280 -9.058 -3.409 1.00 62.51 H new ATOM 0 HA SER A 76 -1.848 -9.501 -1.849 1.00 4.12 H new ATOM 0 HB2 SER A 76 -1.055 -11.231 -3.481 1.00 65.23 H new ATOM 0 HB3 SER A 76 -2.416 -11.793 -2.530 1.00 65.23 H new ATOM 0 HG SER A 76 -2.945 -10.528 -5.006 1.00 11.35 H new ATOM 1143 N HIS A 77 -0.716 -7.940 -3.398 1.00 22.12 N ATOM 1144 CA HIS A 77 0.076 -7.057 -4.279 1.00 63.43 C ATOM 1145 C HIS A 77 1.140 -7.883 -5.052 1.00 14.10 C ATOM 1146 O HIS A 77 1.715 -7.412 -6.042 1.00 51.22 O ATOM 1147 CB HIS A 77 0.762 -5.944 -3.432 1.00 64.35 C ATOM 1148 CG HIS A 77 -0.165 -5.122 -2.551 1.00 53.11 C ATOM 1149 ND1 HIS A 77 0.347 -4.218 -1.657 1.00 72.44 N ATOM 1150 CD2 HIS A 77 -1.528 -5.099 -2.454 1.00 14.23 C ATOM 1151 CE1 HIS A 77 -0.685 -3.669 -1.052 1.00 2.22 C ATOM 1152 NE2 HIS A 77 -1.843 -4.166 -1.497 1.00 24.52 N ATOM 0 H HIS A 77 -0.363 -7.980 -2.442 1.00 22.12 H new ATOM 0 HA HIS A 77 -0.589 -6.588 -5.004 1.00 63.43 H new ATOM 0 HB2 HIS A 77 1.518 -6.409 -2.799 1.00 64.35 H new ATOM 0 HB3 HIS A 77 1.285 -5.268 -4.109 1.00 64.35 H new ATOM 0 HD2 HIS A 77 -2.224 -5.699 -3.021 1.00 14.23 H new ATOM 0 HE1 HIS A 77 -0.606 -2.909 -0.289 1.00 2.22 H new ATOM 0 HE2 HIS A 77 -2.778 -3.903 -1.186 1.00 24.52 H new ATOM 1160 N MET A 78 1.373 -9.131 -4.585 1.00 71.22 N ATOM 1161 CA MET A 78 2.396 -10.050 -5.136 1.00 52.45 C ATOM 1162 C MET A 78 2.050 -11.530 -4.816 1.00 65.31 C ATOM 1163 O MET A 78 1.027 -11.812 -4.181 1.00 10.15 O ATOM 1164 CB MET A 78 3.791 -9.666 -4.577 1.00 52.20 C ATOM 1165 CG MET A 78 3.868 -9.621 -3.048 1.00 43.13 C ATOM 1166 SD MET A 78 5.475 -9.051 -2.471 1.00 14.34 S ATOM 1167 CE MET A 78 5.193 -8.974 -0.711 1.00 45.11 C ATOM 0 H MET A 78 0.850 -9.533 -3.807 1.00 71.22 H new ATOM 0 HA MET A 78 2.412 -9.952 -6.221 1.00 52.45 H new ATOM 0 HB2 MET A 78 4.526 -10.382 -4.945 1.00 52.20 H new ATOM 0 HB3 MET A 78 4.071 -8.689 -4.972 1.00 52.20 H new ATOM 0 HG2 MET A 78 3.090 -8.961 -2.665 1.00 43.13 H new ATOM 0 HG3 MET A 78 3.670 -10.614 -2.645 1.00 43.13 H new ATOM 0 HE1 MET A 78 6.070 -8.552 -0.220 1.00 45.11 H new ATOM 0 HE2 MET A 78 4.326 -8.345 -0.509 1.00 45.11 H new ATOM 0 HE3 MET A 78 5.011 -9.978 -0.327 1.00 45.11 H new ATOM 1177 N LYS A 79 2.924 -12.462 -5.252 1.00 33.22 N ATOM 1178 CA LYS A 79 2.703 -13.924 -5.088 1.00 74.05 C ATOM 1179 C LYS A 79 2.751 -14.378 -3.599 1.00 4.44 C ATOM 1180 O LYS A 79 3.620 -13.949 -2.827 1.00 61.50 O ATOM 1181 CB LYS A 79 3.735 -14.729 -5.933 1.00 73.10 C ATOM 1182 CG LYS A 79 5.222 -14.514 -5.552 1.00 41.32 C ATOM 1183 CD LYS A 79 6.187 -15.412 -6.364 1.00 55.43 C ATOM 1184 CE LYS A 79 6.111 -15.165 -7.885 1.00 15.22 C ATOM 1185 NZ LYS A 79 7.018 -16.063 -8.647 1.00 62.02 N ATOM 0 H LYS A 79 3.798 -12.230 -5.725 1.00 33.22 H new ATOM 0 HA LYS A 79 1.697 -14.133 -5.451 1.00 74.05 H new ATOM 0 HB2 LYS A 79 3.504 -15.790 -5.841 1.00 73.10 H new ATOM 0 HB3 LYS A 79 3.605 -14.464 -6.982 1.00 73.10 H new ATOM 0 HG2 LYS A 79 5.485 -13.468 -5.712 1.00 41.32 H new ATOM 0 HG3 LYS A 79 5.353 -14.717 -4.489 1.00 41.32 H new ATOM 0 HD2 LYS A 79 7.208 -15.237 -6.025 1.00 55.43 H new ATOM 0 HD3 LYS A 79 5.958 -16.458 -6.160 1.00 55.43 H new ATOM 0 HE2 LYS A 79 5.086 -15.314 -8.225 1.00 15.22 H new ATOM 0 HE3 LYS A 79 6.369 -14.127 -8.096 1.00 15.22 H new ATOM 0 HZ1 LYS A 79 6.933 -15.861 -9.664 1.00 62.02 H new ATOM 0 HZ2 LYS A 79 8.000 -15.904 -8.343 1.00 62.02 H new ATOM 0 HZ3 LYS A 79 6.757 -17.054 -8.468 1.00 62.02 H new ATOM 1199 N GLY A 80 1.786 -15.236 -3.221 1.00 74.13 N ATOM 1200 CA GLY A 80 1.725 -15.843 -1.880 1.00 14.53 C ATOM 1201 C GLY A 80 1.336 -14.883 -0.748 1.00 34.40 C ATOM 1202 O GLY A 80 1.551 -15.186 0.420 1.00 63.21 O ATOM 0 H GLY A 80 1.027 -15.528 -3.837 1.00 74.13 H new ATOM 0 HA2 GLY A 80 1.008 -16.664 -1.902 1.00 14.53 H new ATOM 0 HA3 GLY A 80 2.698 -16.276 -1.650 1.00 14.53 H new ATOM 1206 N MET A 81 0.751 -13.733 -1.086 1.00 44.03 N ATOM 1207 CA MET A 81 0.338 -12.723 -0.088 1.00 30.50 C ATOM 1208 C MET A 81 -1.127 -12.955 0.376 1.00 62.03 C ATOM 1209 O MET A 81 -1.436 -12.838 1.570 1.00 72.45 O ATOM 1210 CB MET A 81 0.535 -11.310 -0.689 1.00 3.31 C ATOM 1211 CG MET A 81 0.073 -10.152 0.196 1.00 61.23 C ATOM 1212 SD MET A 81 0.381 -8.553 -0.581 1.00 11.25 S ATOM 1213 CE MET A 81 -0.485 -7.451 0.532 1.00 2.31 C ATOM 0 H MET A 81 0.548 -13.469 -2.050 1.00 44.03 H new ATOM 0 HA MET A 81 0.961 -12.817 0.801 1.00 30.50 H new ATOM 0 HB2 MET A 81 1.593 -11.174 -0.914 1.00 3.31 H new ATOM 0 HB3 MET A 81 -0.002 -11.258 -1.636 1.00 3.31 H new ATOM 0 HG2 MET A 81 -0.992 -10.256 0.405 1.00 61.23 H new ATOM 0 HG3 MET A 81 0.591 -10.197 1.154 1.00 61.23 H new ATOM 0 HE1 MET A 81 -0.413 -6.429 0.161 1.00 2.31 H new ATOM 0 HE2 MET A 81 -1.533 -7.743 0.591 1.00 2.31 H new ATOM 0 HE3 MET A 81 -0.036 -7.509 1.524 1.00 2.31 H new ATOM 1223 N LYS A 82 -2.025 -13.259 -0.582 1.00 63.33 N ATOM 1224 CA LYS A 82 -3.435 -13.601 -0.283 1.00 64.20 C ATOM 1225 C LYS A 82 -3.536 -14.956 0.460 1.00 44.20 C ATOM 1226 O LYS A 82 -2.948 -15.956 0.028 1.00 64.10 O ATOM 1227 CB LYS A 82 -4.284 -13.630 -1.585 1.00 45.31 C ATOM 1228 CG LYS A 82 -5.812 -13.646 -1.349 1.00 13.23 C ATOM 1229 CD LYS A 82 -6.655 -13.520 -2.656 1.00 61.13 C ATOM 1230 CE LYS A 82 -7.020 -14.873 -3.302 1.00 41.54 C ATOM 1231 NZ LYS A 82 -5.839 -15.643 -3.772 1.00 35.53 N ATOM 0 H LYS A 82 -1.799 -13.275 -1.577 1.00 63.33 H new ATOM 0 HA LYS A 82 -3.833 -12.826 0.372 1.00 64.20 H new ATOM 0 HB2 LYS A 82 -4.031 -12.759 -2.189 1.00 45.31 H new ATOM 0 HB3 LYS A 82 -4.009 -14.511 -2.165 1.00 45.31 H new ATOM 0 HG2 LYS A 82 -6.082 -14.573 -0.842 1.00 13.23 H new ATOM 0 HG3 LYS A 82 -6.075 -12.828 -0.679 1.00 13.23 H new ATOM 0 HD2 LYS A 82 -7.573 -12.977 -2.433 1.00 61.13 H new ATOM 0 HD3 LYS A 82 -6.099 -12.923 -3.378 1.00 61.13 H new ATOM 0 HE2 LYS A 82 -7.572 -15.474 -2.580 1.00 41.54 H new ATOM 0 HE3 LYS A 82 -7.687 -14.696 -4.145 1.00 41.54 H new ATOM 0 HZ1 LYS A 82 -6.154 -16.423 -4.384 1.00 35.53 H new ATOM 0 HZ2 LYS A 82 -5.207 -15.016 -4.309 1.00 35.53 H new ATOM 0 HZ3 LYS A 82 -5.328 -16.030 -2.953 1.00 35.53 H new ATOM 1245 N GLY A 83 -4.267 -14.968 1.588 1.00 41.12 N ATOM 1246 CA GLY A 83 -4.421 -16.168 2.422 1.00 5.44 C ATOM 1247 C GLY A 83 -3.405 -16.224 3.568 1.00 41.10 C ATOM 1248 O GLY A 83 -3.573 -17.002 4.516 1.00 71.24 O ATOM 0 H GLY A 83 -4.764 -14.151 1.944 1.00 41.12 H new ATOM 0 HA2 GLY A 83 -5.430 -16.192 2.834 1.00 5.44 H new ATOM 0 HA3 GLY A 83 -4.310 -17.056 1.799 1.00 5.44 H new ATOM 1252 N ALA A 84 -2.342 -15.397 3.475 1.00 65.23 N ATOM 1253 CA ALA A 84 -1.272 -15.338 4.490 1.00 44.45 C ATOM 1254 C ALA A 84 -1.759 -14.670 5.793 1.00 1.15 C ATOM 1255 O ALA A 84 -2.520 -13.690 5.769 1.00 71.33 O ATOM 1256 CB ALA A 84 -0.033 -14.604 3.935 1.00 31.33 C ATOM 0 H ALA A 84 -2.203 -14.754 2.696 1.00 65.23 H new ATOM 0 HA ALA A 84 -0.991 -16.364 4.730 1.00 44.45 H new ATOM 0 HB1 ALA A 84 0.743 -14.572 4.699 1.00 31.33 H new ATOM 0 HB2 ALA A 84 0.342 -15.134 3.059 1.00 31.33 H new ATOM 0 HB3 ALA A 84 -0.308 -13.587 3.654 1.00 31.33 H new ATOM 1262 N THR A 85 -1.288 -15.210 6.924 1.00 21.41 N ATOM 1263 CA THR A 85 -1.571 -14.659 8.259 1.00 62.35 C ATOM 1264 C THR A 85 -0.472 -13.645 8.610 1.00 23.25 C ATOM 1265 O THR A 85 0.693 -14.017 8.793 1.00 44.23 O ATOM 1266 CB THR A 85 -1.642 -15.777 9.360 1.00 15.21 C ATOM 1267 OG1 THR A 85 -2.672 -16.726 9.025 1.00 53.20 O ATOM 1268 CG2 THR A 85 -1.922 -15.204 10.767 1.00 55.53 C ATOM 0 H THR A 85 -0.699 -16.043 6.941 1.00 21.41 H new ATOM 0 HA THR A 85 -2.548 -14.176 8.234 1.00 62.35 H new ATOM 0 HB THR A 85 -0.666 -16.263 9.386 1.00 15.21 H new ATOM 0 HG1 THR A 85 -2.712 -17.422 9.713 1.00 53.20 H new ATOM 0 HG21 THR A 85 -1.961 -16.018 11.490 1.00 55.53 H new ATOM 0 HG22 THR A 85 -1.127 -14.512 11.043 1.00 55.53 H new ATOM 0 HG23 THR A 85 -2.876 -14.677 10.762 1.00 55.53 H new ATOM 1276 N ALA A 86 -0.836 -12.361 8.645 1.00 21.41 N ATOM 1277 CA ALA A 86 0.069 -11.273 9.041 1.00 2.22 C ATOM 1278 C ALA A 86 -0.148 -10.885 10.512 1.00 31.04 C ATOM 1279 O ALA A 86 -1.112 -11.309 11.132 1.00 12.02 O ATOM 1280 CB ALA A 86 -0.174 -10.065 8.116 1.00 53.13 C ATOM 0 H ALA A 86 -1.773 -12.042 8.398 1.00 21.41 H new ATOM 0 HA ALA A 86 1.102 -11.607 8.942 1.00 2.22 H new ATOM 0 HB1 ALA A 86 0.492 -9.250 8.399 1.00 53.13 H new ATOM 0 HB2 ALA A 86 0.023 -10.352 7.083 1.00 53.13 H new ATOM 0 HB3 ALA A 86 -1.209 -9.737 8.210 1.00 53.13 H new ATOM 1286 N GLU A 87 0.773 -10.089 11.060 1.00 54.25 N ATOM 1287 CA GLU A 87 0.637 -9.464 12.392 1.00 71.55 C ATOM 1288 C GLU A 87 0.893 -7.951 12.272 1.00 44.22 C ATOM 1289 O GLU A 87 1.806 -7.520 11.559 1.00 74.53 O ATOM 1290 CB GLU A 87 1.580 -10.111 13.461 1.00 74.00 C ATOM 1291 CG GLU A 87 3.044 -10.387 13.011 1.00 63.13 C ATOM 1292 CD GLU A 87 3.275 -11.837 12.527 1.00 1.41 C ATOM 1293 OE1 GLU A 87 3.085 -12.770 13.339 1.00 14.02 O ATOM 1294 OE2 GLU A 87 3.655 -12.062 11.361 1.00 41.23 O ATOM 0 H GLU A 87 1.648 -9.853 10.591 1.00 54.25 H new ATOM 0 HA GLU A 87 -0.380 -9.637 12.743 1.00 71.55 H new ATOM 0 HB2 GLU A 87 1.607 -9.458 14.333 1.00 74.00 H new ATOM 0 HB3 GLU A 87 1.137 -11.054 13.782 1.00 74.00 H new ATOM 0 HG2 GLU A 87 3.305 -9.698 12.208 1.00 63.13 H new ATOM 0 HG3 GLU A 87 3.717 -10.178 13.842 1.00 63.13 H new ATOM 1301 N ILE A 88 0.071 -7.155 12.974 1.00 55.01 N ATOM 1302 CA ILE A 88 0.102 -5.683 12.882 1.00 34.02 C ATOM 1303 C ILE A 88 1.367 -5.114 13.580 1.00 55.14 C ATOM 1304 O ILE A 88 1.594 -5.355 14.766 1.00 31.02 O ATOM 1305 CB ILE A 88 -1.189 -5.039 13.528 1.00 22.44 C ATOM 1306 CG1 ILE A 88 -2.499 -5.719 13.005 1.00 63.31 C ATOM 1307 CG2 ILE A 88 -1.234 -3.503 13.293 1.00 13.33 C ATOM 1308 CD1 ILE A 88 -2.767 -5.575 11.514 1.00 63.23 C ATOM 0 H ILE A 88 -0.633 -7.511 13.621 1.00 55.01 H new ATOM 0 HA ILE A 88 0.129 -5.425 11.823 1.00 34.02 H new ATOM 0 HB ILE A 88 -1.130 -5.215 14.602 1.00 22.44 H new ATOM 0 HG12 ILE A 88 -2.457 -6.781 13.247 1.00 63.31 H new ATOM 0 HG13 ILE A 88 -3.346 -5.301 13.550 1.00 63.31 H new ATOM 0 HG21 ILE A 88 -2.134 -3.091 13.750 1.00 13.33 H new ATOM 0 HG22 ILE A 88 -0.355 -3.040 13.742 1.00 13.33 H new ATOM 0 HG23 ILE A 88 -1.244 -3.299 12.222 1.00 13.33 H new ATOM 0 HD11 ILE A 88 -3.698 -6.082 11.261 1.00 63.23 H new ATOM 0 HD12 ILE A 88 -2.849 -4.518 11.259 1.00 63.23 H new ATOM 0 HD13 ILE A 88 -1.946 -6.021 10.952 1.00 63.23 H new ATOM 1320 N ASP A 89 2.202 -4.395 12.819 1.00 1.13 N ATOM 1321 CA ASP A 89 3.337 -3.628 13.375 1.00 52.54 C ATOM 1322 C ASP A 89 2.851 -2.232 13.832 1.00 75.30 C ATOM 1323 O ASP A 89 3.215 -1.751 14.914 1.00 22.32 O ATOM 1324 CB ASP A 89 4.464 -3.483 12.321 1.00 24.31 C ATOM 1325 CG ASP A 89 4.913 -4.827 11.719 1.00 63.03 C ATOM 1326 OD1 ASP A 89 5.201 -5.774 12.487 1.00 71.31 O ATOM 1327 OD2 ASP A 89 5.010 -4.928 10.479 1.00 72.54 O ATOM 0 H ASP A 89 2.115 -4.325 11.805 1.00 1.13 H new ATOM 0 HA ASP A 89 3.737 -4.167 14.234 1.00 52.54 H new ATOM 0 HB2 ASP A 89 4.119 -2.831 11.519 1.00 24.31 H new ATOM 0 HB3 ASP A 89 5.322 -2.995 12.782 1.00 24.31 H new ATOM 1332 N SER A 90 1.990 -1.614 12.993 1.00 24.04 N ATOM 1333 CA SER A 90 1.437 -0.252 13.224 1.00 71.33 C ATOM 1334 C SER A 90 0.085 -0.076 12.494 1.00 14.13 C ATOM 1335 O SER A 90 -0.178 -0.740 11.488 1.00 21.42 O ATOM 1336 CB SER A 90 2.426 0.851 12.751 1.00 31.22 C ATOM 1337 OG SER A 90 3.639 0.826 13.492 1.00 21.12 O ATOM 0 H SER A 90 1.655 -2.044 12.131 1.00 24.04 H new ATOM 0 HA SER A 90 1.283 -0.146 14.298 1.00 71.33 H new ATOM 0 HB2 SER A 90 2.644 0.714 11.692 1.00 31.22 H new ATOM 0 HB3 SER A 90 1.956 1.829 12.855 1.00 31.22 H new ATOM 0 HG SER A 90 4.236 1.531 13.166 1.00 21.12 H new ATOM 1343 N ALA A 91 -0.759 0.829 13.016 1.00 35.25 N ATOM 1344 CA ALA A 91 -2.059 1.199 12.395 1.00 52.42 C ATOM 1345 C ALA A 91 -2.149 2.733 12.201 1.00 41.32 C ATOM 1346 O ALA A 91 -1.625 3.495 13.023 1.00 61.04 O ATOM 1347 CB ALA A 91 -3.220 0.684 13.268 1.00 33.04 C ATOM 0 H ALA A 91 -0.566 1.331 13.883 1.00 35.25 H new ATOM 0 HA ALA A 91 -2.131 0.733 11.412 1.00 52.42 H new ATOM 0 HB1 ALA A 91 -4.170 0.958 12.809 1.00 33.04 H new ATOM 0 HB2 ALA A 91 -3.158 -0.401 13.353 1.00 33.04 H new ATOM 0 HB3 ALA A 91 -3.155 1.130 14.260 1.00 33.04 H new ATOM 1353 N GLU A 92 -2.836 3.176 11.127 1.00 53.55 N ATOM 1354 CA GLU A 92 -2.958 4.621 10.785 1.00 1.31 C ATOM 1355 C GLU A 92 -4.215 4.896 9.925 1.00 12.50 C ATOM 1356 O GLU A 92 -4.433 4.214 8.935 1.00 53.42 O ATOM 1357 CB GLU A 92 -1.681 5.076 10.019 1.00 40.01 C ATOM 1358 CG GLU A 92 -1.601 6.587 9.734 1.00 30.21 C ATOM 1359 CD GLU A 92 -0.292 7.010 9.040 1.00 5.34 C ATOM 1360 OE1 GLU A 92 -0.153 6.776 7.819 1.00 61.12 O ATOM 1361 OE2 GLU A 92 0.593 7.601 9.700 1.00 34.04 O ATOM 0 H GLU A 92 -3.318 2.556 10.476 1.00 53.55 H new ATOM 0 HA GLU A 92 -3.060 5.187 11.711 1.00 1.31 H new ATOM 0 HB2 GLU A 92 -0.804 4.783 10.597 1.00 40.01 H new ATOM 0 HB3 GLU A 92 -1.632 4.539 9.072 1.00 40.01 H new ATOM 0 HG2 GLU A 92 -2.445 6.876 9.108 1.00 30.21 H new ATOM 0 HG3 GLU A 92 -1.698 7.132 10.673 1.00 30.21 H new ATOM 1368 N LYS A 93 -5.029 5.911 10.287 1.00 2.30 N ATOM 1369 CA LYS A 93 -6.182 6.348 9.453 1.00 74.05 C ATOM 1370 C LYS A 93 -5.688 7.418 8.458 1.00 65.43 C ATOM 1371 O LYS A 93 -5.569 8.600 8.801 1.00 21.31 O ATOM 1372 CB LYS A 93 -7.360 6.910 10.309 1.00 60.14 C ATOM 1373 CG LYS A 93 -8.099 5.881 11.204 1.00 10.13 C ATOM 1374 CD LYS A 93 -7.285 5.427 12.440 1.00 34.11 C ATOM 1375 CE LYS A 93 -8.087 4.496 13.363 1.00 5.01 C ATOM 1376 NZ LYS A 93 -7.314 4.130 14.577 1.00 23.12 N ATOM 0 H LYS A 93 -4.914 6.445 11.148 1.00 2.30 H new ATOM 0 HA LYS A 93 -6.571 5.479 8.923 1.00 74.05 H new ATOM 0 HB2 LYS A 93 -6.973 7.705 10.946 1.00 60.14 H new ATOM 0 HB3 LYS A 93 -8.087 7.366 9.637 1.00 60.14 H new ATOM 0 HG2 LYS A 93 -9.040 6.316 11.541 1.00 10.13 H new ATOM 0 HG3 LYS A 93 -8.349 5.006 10.604 1.00 10.13 H new ATOM 0 HD2 LYS A 93 -6.382 4.915 12.108 1.00 34.11 H new ATOM 0 HD3 LYS A 93 -6.965 6.304 13.003 1.00 34.11 H new ATOM 0 HE2 LYS A 93 -9.016 4.986 13.656 1.00 5.01 H new ATOM 0 HE3 LYS A 93 -8.361 3.592 12.819 1.00 5.01 H new ATOM 0 HZ1 LYS A 93 -7.661 3.223 14.949 1.00 23.12 H new ATOM 0 HZ2 LYS A 93 -6.307 4.042 14.334 1.00 23.12 H new ATOM 0 HZ3 LYS A 93 -7.433 4.868 15.300 1.00 23.12 H new ATOM 1390 N THR A 94 -5.372 6.980 7.236 1.00 70.12 N ATOM 1391 CA THR A 94 -4.722 7.824 6.207 1.00 41.11 C ATOM 1392 C THR A 94 -5.370 7.618 4.825 1.00 74.40 C ATOM 1393 O THR A 94 -5.913 6.542 4.539 1.00 2.44 O ATOM 1394 CB THR A 94 -3.187 7.524 6.130 1.00 10.20 C ATOM 1395 OG1 THR A 94 -2.570 8.291 5.081 1.00 45.50 O ATOM 1396 CG2 THR A 94 -2.896 6.027 5.922 1.00 55.44 C ATOM 0 H THR A 94 -5.557 6.027 6.923 1.00 70.12 H new ATOM 0 HA THR A 94 -4.862 8.865 6.500 1.00 41.11 H new ATOM 0 HB THR A 94 -2.761 7.816 7.090 1.00 10.20 H new ATOM 0 HG1 THR A 94 -1.611 8.091 5.050 1.00 45.50 H new ATOM 0 HG21 THR A 94 -1.819 5.869 5.875 1.00 55.44 H new ATOM 0 HG22 THR A 94 -3.310 5.457 6.753 1.00 55.44 H new ATOM 0 HG23 THR A 94 -3.353 5.694 4.990 1.00 55.44 H new ATOM 1404 N THR A 95 -5.289 8.639 3.954 1.00 70.41 N ATOM 1405 CA THR A 95 -5.874 8.569 2.600 1.00 25.24 C ATOM 1406 C THR A 95 -4.884 7.883 1.638 1.00 32.24 C ATOM 1407 O THR A 95 -3.747 8.339 1.480 1.00 23.24 O ATOM 1408 CB THR A 95 -6.249 9.988 2.050 1.00 41.43 C ATOM 1409 OG1 THR A 95 -7.121 10.657 2.979 1.00 44.21 O ATOM 1410 CG2 THR A 95 -6.940 9.918 0.666 1.00 44.20 C ATOM 0 H THR A 95 -4.825 9.523 4.162 1.00 70.41 H new ATOM 0 HA THR A 95 -6.792 7.986 2.667 1.00 25.24 H new ATOM 0 HB THR A 95 -5.319 10.544 1.932 1.00 41.43 H new ATOM 0 HG1 THR A 95 -7.351 11.544 2.631 1.00 44.21 H new ATOM 0 HG21 THR A 95 -7.180 10.926 0.328 1.00 44.20 H new ATOM 0 HG22 THR A 95 -6.270 9.444 -0.052 1.00 44.20 H new ATOM 0 HG23 THR A 95 -7.857 9.334 0.746 1.00 44.20 H new ATOM 1418 N VAL A 96 -5.340 6.804 0.981 1.00 21.23 N ATOM 1419 CA VAL A 96 -4.514 5.993 0.062 1.00 2.35 C ATOM 1420 C VAL A 96 -5.048 6.147 -1.383 1.00 63.45 C ATOM 1421 O VAL A 96 -6.256 6.181 -1.608 1.00 62.24 O ATOM 1422 CB VAL A 96 -4.476 4.477 0.492 1.00 72.53 C ATOM 1423 CG1 VAL A 96 -3.698 4.296 1.820 1.00 55.50 C ATOM 1424 CG2 VAL A 96 -5.902 3.879 0.604 1.00 0.44 C ATOM 0 H VAL A 96 -6.298 6.465 1.071 1.00 21.23 H new ATOM 0 HA VAL A 96 -3.488 6.359 0.107 1.00 2.35 H new ATOM 0 HB VAL A 96 -3.950 3.930 -0.290 1.00 72.53 H new ATOM 0 HG11 VAL A 96 -3.687 3.241 2.094 1.00 55.50 H new ATOM 0 HG12 VAL A 96 -2.675 4.649 1.693 1.00 55.50 H new ATOM 0 HG13 VAL A 96 -4.185 4.871 2.608 1.00 55.50 H new ATOM 0 HG21 VAL A 96 -5.835 2.833 0.902 1.00 0.44 H new ATOM 0 HG22 VAL A 96 -6.472 4.433 1.350 1.00 0.44 H new ATOM 0 HG23 VAL A 96 -6.403 3.950 -0.361 1.00 0.44 H new ATOM 1434 N TYR A 97 -4.135 6.266 -2.349 1.00 51.23 N ATOM 1435 CA TYR A 97 -4.464 6.609 -3.744 1.00 50.43 C ATOM 1436 C TYR A 97 -4.131 5.463 -4.717 1.00 43.53 C ATOM 1437 O TYR A 97 -3.210 4.669 -4.484 1.00 12.30 O ATOM 1438 CB TYR A 97 -3.676 7.879 -4.169 1.00 54.24 C ATOM 1439 CG TYR A 97 -3.907 9.103 -3.263 1.00 61.02 C ATOM 1440 CD1 TYR A 97 -5.061 9.881 -3.381 1.00 41.01 C ATOM 1441 CD2 TYR A 97 -2.978 9.474 -2.285 1.00 12.15 C ATOM 1442 CE1 TYR A 97 -5.274 10.977 -2.565 1.00 14.20 C ATOM 1443 CE2 TYR A 97 -3.193 10.571 -1.469 1.00 32.01 C ATOM 1444 CZ TYR A 97 -4.339 11.318 -1.610 1.00 23.31 C ATOM 1445 OH TYR A 97 -4.552 12.419 -0.797 1.00 25.44 O ATOM 0 H TYR A 97 -3.137 6.127 -2.189 1.00 51.23 H new ATOM 0 HA TYR A 97 -5.538 6.790 -3.791 1.00 50.43 H new ATOM 0 HB2 TYR A 97 -2.611 7.645 -4.179 1.00 54.24 H new ATOM 0 HB3 TYR A 97 -3.954 8.140 -5.190 1.00 54.24 H new ATOM 0 HD1 TYR A 97 -5.801 9.622 -4.124 1.00 41.01 H new ATOM 0 HD2 TYR A 97 -2.076 8.893 -2.164 1.00 12.15 H new ATOM 0 HE1 TYR A 97 -6.173 11.566 -2.676 1.00 14.20 H new ATOM 0 HE2 TYR A 97 -2.461 10.840 -0.722 1.00 32.01 H new ATOM 0 HH TYR A 97 -4.575 12.134 0.140 1.00 25.44 H new ATOM 1455 N MET A 98 -4.910 5.399 -5.801 1.00 14.54 N ATOM 1456 CA MET A 98 -4.576 4.630 -7.004 1.00 53.22 C ATOM 1457 C MET A 98 -3.930 5.604 -8.010 1.00 3.11 C ATOM 1458 O MET A 98 -4.575 6.565 -8.432 1.00 34.24 O ATOM 1459 CB MET A 98 -5.864 3.990 -7.591 1.00 74.53 C ATOM 1460 CG MET A 98 -5.643 3.137 -8.847 1.00 50.32 C ATOM 1461 SD MET A 98 -7.143 2.292 -9.402 1.00 71.45 S ATOM 1462 CE MET A 98 -8.236 3.665 -9.789 1.00 53.51 C ATOM 0 H MET A 98 -5.803 5.887 -5.869 1.00 14.54 H new ATOM 0 HA MET A 98 -3.882 3.821 -6.776 1.00 53.22 H new ATOM 0 HB2 MET A 98 -6.327 3.369 -6.824 1.00 74.53 H new ATOM 0 HB3 MET A 98 -6.572 4.784 -7.828 1.00 74.53 H new ATOM 0 HG2 MET A 98 -5.273 3.773 -9.651 1.00 50.32 H new ATOM 0 HG3 MET A 98 -4.869 2.396 -8.645 1.00 50.32 H new ATOM 0 HE1 MET A 98 -9.104 3.296 -10.336 1.00 53.51 H new ATOM 0 HE2 MET A 98 -8.565 4.140 -8.865 1.00 53.51 H new ATOM 0 HE3 MET A 98 -7.703 4.393 -10.401 1.00 53.51 H new ATOM 1472 N VAL A 99 -2.641 5.396 -8.342 1.00 72.33 N ATOM 1473 CA VAL A 99 -1.870 6.325 -9.220 1.00 41.33 C ATOM 1474 C VAL A 99 -1.290 5.613 -10.469 1.00 53.14 C ATOM 1475 O VAL A 99 -1.162 4.387 -10.504 1.00 74.23 O ATOM 1476 CB VAL A 99 -0.704 7.043 -8.429 1.00 51.51 C ATOM 1477 CG1 VAL A 99 -1.256 7.980 -7.321 1.00 55.54 C ATOM 1478 CG2 VAL A 99 0.313 6.020 -7.844 1.00 34.32 C ATOM 0 H VAL A 99 -2.102 4.593 -8.019 1.00 72.33 H new ATOM 0 HA VAL A 99 -2.583 7.077 -9.559 1.00 41.33 H new ATOM 0 HB VAL A 99 -0.168 7.662 -9.148 1.00 51.51 H new ATOM 0 HG11 VAL A 99 -0.425 8.455 -6.799 1.00 55.54 H new ATOM 0 HG12 VAL A 99 -1.887 8.746 -7.773 1.00 55.54 H new ATOM 0 HG13 VAL A 99 -1.844 7.398 -6.612 1.00 55.54 H new ATOM 0 HG21 VAL A 99 1.098 6.553 -7.308 1.00 34.32 H new ATOM 0 HG22 VAL A 99 -0.202 5.347 -7.158 1.00 34.32 H new ATOM 0 HG23 VAL A 99 0.756 5.442 -8.655 1.00 34.32 H new ATOM 1488 N ASP A 100 -0.952 6.417 -11.497 1.00 0.53 N ATOM 1489 CA ASP A 100 -0.269 5.958 -12.727 1.00 14.55 C ATOM 1490 C ASP A 100 1.057 6.732 -12.903 1.00 2.14 C ATOM 1491 O ASP A 100 1.040 7.951 -13.101 1.00 73.11 O ATOM 1492 CB ASP A 100 -1.207 6.209 -13.940 1.00 13.11 C ATOM 1493 CG ASP A 100 -0.575 5.848 -15.301 1.00 74.32 C ATOM 1494 OD1 ASP A 100 -0.628 4.670 -15.697 1.00 64.43 O ATOM 1495 OD2 ASP A 100 -0.048 6.748 -15.994 1.00 31.32 O ATOM 0 H ASP A 100 -1.148 7.418 -11.498 1.00 0.53 H new ATOM 0 HA ASP A 100 -0.042 4.894 -12.658 1.00 14.55 H new ATOM 0 HB2 ASP A 100 -2.120 5.628 -13.808 1.00 13.11 H new ATOM 0 HB3 ASP A 100 -1.497 7.260 -13.952 1.00 13.11 H new ATOM 1500 N TYR A 101 2.196 6.023 -12.865 1.00 64.12 N ATOM 1501 CA TYR A 101 3.536 6.635 -13.030 1.00 52.45 C ATOM 1502 C TYR A 101 4.376 5.830 -14.037 1.00 22.12 C ATOM 1503 O TYR A 101 3.970 4.757 -14.479 1.00 25.15 O ATOM 1504 CB TYR A 101 4.279 6.734 -11.662 1.00 54.01 C ATOM 1505 CG TYR A 101 4.705 5.389 -11.032 1.00 21.20 C ATOM 1506 CD1 TYR A 101 3.841 4.662 -10.205 1.00 54.33 C ATOM 1507 CD2 TYR A 101 5.981 4.852 -11.262 1.00 65.03 C ATOM 1508 CE1 TYR A 101 4.235 3.463 -9.639 1.00 43.01 C ATOM 1509 CE2 TYR A 101 6.372 3.655 -10.700 1.00 4.44 C ATOM 1510 CZ TYR A 101 5.498 2.964 -9.892 1.00 44.31 C ATOM 1511 OH TYR A 101 5.895 1.773 -9.319 1.00 22.00 O ATOM 0 H TYR A 101 2.221 5.014 -12.720 1.00 64.12 H new ATOM 0 HA TYR A 101 3.399 7.645 -13.416 1.00 52.45 H new ATOM 0 HB2 TYR A 101 5.169 7.349 -11.796 1.00 54.01 H new ATOM 0 HB3 TYR A 101 3.634 7.257 -10.956 1.00 54.01 H new ATOM 0 HD1 TYR A 101 2.850 5.043 -10.006 1.00 54.33 H new ATOM 0 HD2 TYR A 101 6.673 5.389 -11.894 1.00 65.03 H new ATOM 0 HE1 TYR A 101 3.556 2.918 -9.000 1.00 43.01 H new ATOM 0 HE2 TYR A 101 7.359 3.262 -10.893 1.00 4.44 H new ATOM 0 HH TYR A 101 5.109 1.210 -9.158 1.00 22.00 H new ATOM 1521 N THR A 102 5.565 6.347 -14.377 1.00 24.35 N ATOM 1522 CA THR A 102 6.542 5.619 -15.218 1.00 71.32 C ATOM 1523 C THR A 102 7.854 5.407 -14.424 1.00 3.20 C ATOM 1524 O THR A 102 8.506 6.381 -14.037 1.00 31.32 O ATOM 1525 CB THR A 102 6.830 6.382 -16.559 1.00 63.23 C ATOM 1526 OG1 THR A 102 5.588 6.667 -17.229 1.00 75.42 O ATOM 1527 CG2 THR A 102 7.739 5.575 -17.509 1.00 44.31 C ATOM 0 H THR A 102 5.880 7.272 -14.083 1.00 24.35 H new ATOM 0 HA THR A 102 6.115 4.651 -15.479 1.00 71.32 H new ATOM 0 HB THR A 102 7.350 7.305 -16.301 1.00 63.23 H new ATOM 0 HG1 THR A 102 5.770 7.145 -18.065 1.00 75.42 H new ATOM 0 HG21 THR A 102 7.909 6.145 -18.422 1.00 44.31 H new ATOM 0 HG22 THR A 102 8.694 5.380 -17.021 1.00 44.31 H new ATOM 0 HG23 THR A 102 7.258 4.629 -17.756 1.00 44.31 H new ATOM 1535 N SER A 103 8.196 4.124 -14.173 1.00 42.24 N ATOM 1536 CA SER A 103 9.403 3.709 -13.411 1.00 75.44 C ATOM 1537 C SER A 103 10.705 4.308 -13.996 1.00 72.35 C ATOM 1538 O SER A 103 11.027 4.088 -15.165 1.00 53.22 O ATOM 1539 CB SER A 103 9.513 2.161 -13.375 1.00 54.24 C ATOM 1540 OG SER A 103 10.713 1.721 -12.739 1.00 13.44 O ATOM 0 H SER A 103 7.637 3.335 -14.496 1.00 42.24 H new ATOM 0 HA SER A 103 9.286 4.095 -12.399 1.00 75.44 H new ATOM 0 HB2 SER A 103 8.652 1.749 -12.848 1.00 54.24 H new ATOM 0 HB3 SER A 103 9.479 1.772 -14.393 1.00 54.24 H new ATOM 0 HG SER A 103 11.164 1.064 -13.310 1.00 13.44 H new ATOM 1546 N THR A 104 11.435 5.061 -13.152 1.00 61.52 N ATOM 1547 CA THR A 104 12.683 5.764 -13.529 1.00 45.31 C ATOM 1548 C THR A 104 13.838 4.786 -13.870 1.00 62.10 C ATOM 1549 O THR A 104 14.699 5.100 -14.700 1.00 4.13 O ATOM 1550 CB THR A 104 13.150 6.718 -12.373 1.00 31.15 C ATOM 1551 OG1 THR A 104 13.476 5.948 -11.197 1.00 73.23 O ATOM 1552 CG2 THR A 104 12.073 7.761 -12.006 1.00 22.34 C ATOM 0 H THR A 104 11.174 5.202 -12.176 1.00 61.52 H new ATOM 0 HA THR A 104 12.452 6.341 -14.424 1.00 45.31 H new ATOM 0 HB THR A 104 14.030 7.250 -12.735 1.00 31.15 H new ATOM 0 HG1 THR A 104 13.768 6.551 -10.482 1.00 73.23 H new ATOM 0 HG21 THR A 104 12.442 8.398 -11.202 1.00 22.34 H new ATOM 0 HG22 THR A 104 11.847 8.373 -12.879 1.00 22.34 H new ATOM 0 HG23 THR A 104 11.168 7.250 -11.677 1.00 22.34 H new ATOM 1560 N THR A 105 13.841 3.598 -13.228 1.00 71.22 N ATOM 1561 CA THR A 105 14.941 2.607 -13.376 1.00 53.35 C ATOM 1562 C THR A 105 14.789 1.714 -14.638 1.00 22.13 C ATOM 1563 O THR A 105 15.789 1.324 -15.245 1.00 70.53 O ATOM 1564 CB THR A 105 15.092 1.696 -12.102 1.00 54.55 C ATOM 1565 OG1 THR A 105 16.238 0.832 -12.236 1.00 60.43 O ATOM 1566 CG2 THR A 105 13.844 0.832 -11.830 1.00 62.41 C ATOM 0 H THR A 105 13.095 3.297 -12.600 1.00 71.22 H new ATOM 0 HA THR A 105 15.846 3.203 -13.494 1.00 53.35 H new ATOM 0 HB THR A 105 15.220 2.372 -11.257 1.00 54.55 H new ATOM 0 HG1 THR A 105 16.321 0.272 -11.436 1.00 60.43 H new ATOM 0 HG21 THR A 105 14.008 0.226 -10.939 1.00 62.41 H new ATOM 0 HG22 THR A 105 12.981 1.479 -11.675 1.00 62.41 H new ATOM 0 HG23 THR A 105 13.660 0.180 -12.684 1.00 62.41 H new ATOM 1574 N SER A 106 13.538 1.383 -15.021 1.00 11.24 N ATOM 1575 CA SER A 106 13.252 0.429 -16.137 1.00 65.30 C ATOM 1576 C SER A 106 12.731 1.140 -17.406 1.00 75.34 C ATOM 1577 O SER A 106 12.935 0.653 -18.528 1.00 43.23 O ATOM 1578 CB SER A 106 12.218 -0.622 -15.669 1.00 52.40 C ATOM 1579 OG SER A 106 10.971 -0.028 -15.338 1.00 31.42 O ATOM 0 H SER A 106 12.700 1.759 -14.578 1.00 11.24 H new ATOM 0 HA SER A 106 14.193 -0.055 -16.400 1.00 65.30 H new ATOM 0 HB2 SER A 106 12.070 -1.361 -16.456 1.00 52.40 H new ATOM 0 HB3 SER A 106 12.608 -1.154 -14.801 1.00 52.40 H new ATOM 0 HG SER A 106 10.398 -0.692 -14.900 1.00 31.42 H new ATOM 1585 N GLY A 107 12.067 2.294 -17.220 1.00 32.51 N ATOM 1586 CA GLY A 107 11.371 2.995 -18.318 1.00 44.31 C ATOM 1587 C GLY A 107 9.975 2.423 -18.612 1.00 1.03 C ATOM 1588 O GLY A 107 9.341 2.789 -19.610 1.00 11.30 O ATOM 0 H GLY A 107 11.997 2.764 -16.317 1.00 32.51 H new ATOM 0 HA2 GLY A 107 11.278 4.051 -18.065 1.00 44.31 H new ATOM 0 HA3 GLY A 107 11.979 2.936 -19.221 1.00 44.31 H new ATOM 1592 N GLU A 108 9.509 1.525 -17.732 1.00 41.34 N ATOM 1593 CA GLU A 108 8.188 0.861 -17.844 1.00 72.21 C ATOM 1594 C GLU A 108 7.107 1.668 -17.092 1.00 54.10 C ATOM 1595 O GLU A 108 7.354 2.148 -15.989 1.00 22.31 O ATOM 1596 CB GLU A 108 8.278 -0.576 -17.263 1.00 3.52 C ATOM 1597 CG GLU A 108 6.968 -1.398 -17.304 1.00 10.34 C ATOM 1598 CD GLU A 108 6.426 -1.623 -18.727 1.00 51.12 C ATOM 1599 OE1 GLU A 108 7.005 -2.449 -19.463 1.00 42.02 O ATOM 1600 OE2 GLU A 108 5.427 -0.975 -19.114 1.00 32.31 O ATOM 0 H GLU A 108 10.039 1.231 -16.911 1.00 41.34 H new ATOM 0 HA GLU A 108 7.908 0.811 -18.896 1.00 72.21 H new ATOM 0 HB2 GLU A 108 9.046 -1.122 -17.811 1.00 3.52 H new ATOM 0 HB3 GLU A 108 8.612 -0.509 -16.227 1.00 3.52 H new ATOM 0 HG2 GLU A 108 7.141 -2.366 -16.833 1.00 10.34 H new ATOM 0 HG3 GLU A 108 6.209 -0.886 -16.712 1.00 10.34 H new ATOM 1607 N LYS A 109 5.903 1.799 -17.685 1.00 52.01 N ATOM 1608 CA LYS A 109 4.783 2.512 -17.037 1.00 50.40 C ATOM 1609 C LYS A 109 4.011 1.561 -16.086 1.00 34.14 C ATOM 1610 O LYS A 109 3.465 0.540 -16.514 1.00 41.15 O ATOM 1611 CB LYS A 109 3.806 3.128 -18.079 1.00 51.24 C ATOM 1612 CG LYS A 109 2.736 4.062 -17.449 1.00 32.54 C ATOM 1613 CD LYS A 109 1.650 4.563 -18.438 1.00 14.43 C ATOM 1614 CE LYS A 109 0.598 3.493 -18.808 1.00 25.00 C ATOM 1615 NZ LYS A 109 1.125 2.431 -19.707 1.00 4.13 N ATOM 0 H LYS A 109 5.682 1.423 -18.607 1.00 52.01 H new ATOM 0 HA LYS A 109 5.213 3.330 -16.458 1.00 50.40 H new ATOM 0 HB2 LYS A 109 4.380 3.691 -18.815 1.00 51.24 H new ATOM 0 HB3 LYS A 109 3.304 2.323 -18.615 1.00 51.24 H new ATOM 0 HG2 LYS A 109 2.247 3.532 -16.631 1.00 32.54 H new ATOM 0 HG3 LYS A 109 3.238 4.926 -17.014 1.00 32.54 H new ATOM 0 HD2 LYS A 109 1.142 5.422 -17.999 1.00 14.43 H new ATOM 0 HD3 LYS A 109 2.136 4.911 -19.350 1.00 14.43 H new ATOM 0 HE2 LYS A 109 0.223 3.032 -17.894 1.00 25.00 H new ATOM 0 HE3 LYS A 109 -0.250 3.979 -19.291 1.00 25.00 H new ATOM 0 HZ1 LYS A 109 0.388 2.154 -20.386 1.00 4.13 H new ATOM 0 HZ2 LYS A 109 1.953 2.792 -20.223 1.00 4.13 H new ATOM 0 HZ3 LYS A 109 1.403 1.604 -19.141 1.00 4.13 H new ATOM 1629 N VAL A 110 3.961 1.929 -14.797 1.00 13.34 N ATOM 1630 CA VAL A 110 3.223 1.170 -13.770 1.00 53.42 C ATOM 1631 C VAL A 110 1.860 1.849 -13.512 1.00 55.05 C ATOM 1632 O VAL A 110 1.795 2.975 -13.002 1.00 10.31 O ATOM 1633 CB VAL A 110 4.039 1.026 -12.440 1.00 20.01 C ATOM 1634 CG1 VAL A 110 3.252 0.209 -11.372 1.00 64.15 C ATOM 1635 CG2 VAL A 110 5.435 0.397 -12.709 1.00 12.23 C ATOM 0 H VAL A 110 4.430 2.760 -14.435 1.00 13.34 H new ATOM 0 HA VAL A 110 3.061 0.159 -14.144 1.00 53.42 H new ATOM 0 HB VAL A 110 4.192 2.027 -12.038 1.00 20.01 H new ATOM 0 HG11 VAL A 110 3.848 0.129 -10.463 1.00 64.15 H new ATOM 0 HG12 VAL A 110 2.313 0.714 -11.147 1.00 64.15 H new ATOM 0 HG13 VAL A 110 3.044 -0.789 -11.758 1.00 64.15 H new ATOM 0 HG21 VAL A 110 5.981 0.308 -11.770 1.00 12.23 H new ATOM 0 HG22 VAL A 110 5.310 -0.591 -13.151 1.00 12.23 H new ATOM 0 HG23 VAL A 110 5.994 1.033 -13.395 1.00 12.23 H new ATOM 1645 N LYS A 111 0.780 1.135 -13.865 1.00 33.12 N ATOM 1646 CA LYS A 111 -0.598 1.666 -13.863 1.00 34.03 C ATOM 1647 C LYS A 111 -1.451 1.005 -12.754 1.00 24.13 C ATOM 1648 O LYS A 111 -1.209 -0.150 -12.380 1.00 31.53 O ATOM 1649 CB LYS A 111 -1.229 1.504 -15.291 1.00 20.30 C ATOM 1650 CG LYS A 111 -1.035 0.121 -15.985 1.00 11.41 C ATOM 1651 CD LYS A 111 -2.073 -0.949 -15.568 1.00 32.13 C ATOM 1652 CE LYS A 111 -3.506 -0.601 -16.014 1.00 2.23 C ATOM 1653 NZ LYS A 111 -4.494 -1.600 -15.538 1.00 50.34 N ATOM 0 H LYS A 111 0.836 0.161 -14.164 1.00 33.12 H new ATOM 0 HA LYS A 111 -0.574 2.731 -13.630 1.00 34.03 H new ATOM 0 HB2 LYS A 111 -2.298 1.701 -15.216 1.00 20.30 H new ATOM 0 HB3 LYS A 111 -0.808 2.273 -15.939 1.00 20.30 H new ATOM 0 HG2 LYS A 111 -1.086 0.259 -17.065 1.00 11.41 H new ATOM 0 HG3 LYS A 111 -0.036 -0.250 -15.757 1.00 11.41 H new ATOM 0 HD2 LYS A 111 -1.788 -1.910 -15.996 1.00 32.13 H new ATOM 0 HD3 LYS A 111 -2.053 -1.064 -14.484 1.00 32.13 H new ATOM 0 HE2 LYS A 111 -3.775 0.384 -15.634 1.00 2.23 H new ATOM 0 HE3 LYS A 111 -3.543 -0.544 -17.102 1.00 2.23 H new ATOM 0 HZ1 LYS A 111 -5.445 -1.328 -15.860 1.00 50.34 H new ATOM 0 HZ2 LYS A 111 -4.253 -2.536 -15.921 1.00 50.34 H new ATOM 0 HZ3 LYS A 111 -4.477 -1.637 -14.499 1.00 50.34 H new ATOM 1667 N ASN A 112 -2.442 1.766 -12.238 1.00 21.22 N ATOM 1668 CA ASN A 112 -3.342 1.338 -11.125 1.00 72.22 C ATOM 1669 C ASN A 112 -2.548 0.949 -9.840 1.00 30.22 C ATOM 1670 O ASN A 112 -2.985 0.083 -9.067 1.00 74.40 O ATOM 1671 CB ASN A 112 -4.281 0.166 -11.564 1.00 44.15 C ATOM 1672 CG ASN A 112 -5.202 0.491 -12.740 1.00 43.21 C ATOM 1673 OD1 ASN A 112 -4.864 1.269 -13.621 1.00 74.35 O ATOM 1674 ND2 ASN A 112 -6.372 -0.115 -12.766 1.00 4.24 N ATOM 0 H ASN A 112 -2.648 2.705 -12.580 1.00 21.22 H new ATOM 0 HA ASN A 112 -3.962 2.201 -10.881 1.00 72.22 H new ATOM 0 HB2 ASN A 112 -3.666 -0.694 -11.829 1.00 44.15 H new ATOM 0 HB3 ASN A 112 -4.893 -0.130 -10.712 1.00 44.15 H new ATOM 0 HD21 ASN A 112 -7.020 0.060 -13.534 1.00 4.24 H new ATOM 0 HD22 ASN A 112 -6.629 -0.759 -12.018 1.00 4.24 H new ATOM 1681 N HIS A 113 -1.397 1.616 -9.622 1.00 44.52 N ATOM 1682 CA HIS A 113 -0.498 1.331 -8.483 1.00 21.43 C ATOM 1683 C HIS A 113 -1.178 1.643 -7.126 1.00 5.25 C ATOM 1684 O HIS A 113 -1.650 2.765 -6.895 1.00 63.11 O ATOM 1685 CB HIS A 113 0.827 2.122 -8.616 1.00 31.15 C ATOM 1686 CG HIS A 113 1.762 1.925 -7.441 1.00 3.41 C ATOM 1687 ND1 HIS A 113 2.457 0.753 -7.267 1.00 45.42 N ATOM 1688 CD2 HIS A 113 2.009 2.741 -6.385 1.00 73.14 C ATOM 1689 CE1 HIS A 113 3.100 0.879 -6.120 1.00 2.03 C ATOM 1690 NE2 HIS A 113 2.859 2.065 -5.550 1.00 45.33 N ATOM 0 H HIS A 113 -1.064 2.366 -10.228 1.00 44.52 H new ATOM 0 HA HIS A 113 -0.273 0.265 -8.506 1.00 21.43 H new ATOM 0 HB2 HIS A 113 1.335 1.816 -9.531 1.00 31.15 H new ATOM 0 HB3 HIS A 113 0.600 3.183 -8.717 1.00 31.15 H new ATOM 0 HD2 HIS A 113 1.611 3.733 -6.232 1.00 73.14 H new ATOM 0 HE1 HIS A 113 3.740 0.120 -5.696 1.00 2.03 H new ATOM 0 HE2 HIS A 113 3.236 2.401 -4.664 1.00 45.33 H new ATOM 1698 N LYS A 114 -1.213 0.624 -6.243 1.00 53.32 N ATOM 1699 CA LYS A 114 -1.877 0.692 -4.917 1.00 53.31 C ATOM 1700 C LYS A 114 -1.027 -0.054 -3.834 1.00 64.11 C ATOM 1701 O LYS A 114 -0.489 -1.121 -4.124 1.00 63.21 O ATOM 1702 CB LYS A 114 -3.293 0.042 -5.014 1.00 64.32 C ATOM 1703 CG LYS A 114 -4.274 0.734 -5.994 1.00 73.33 C ATOM 1704 CD LYS A 114 -5.671 0.061 -6.086 1.00 55.01 C ATOM 1705 CE LYS A 114 -5.692 -1.288 -6.833 1.00 65.34 C ATOM 1706 NZ LYS A 114 -4.935 -2.365 -6.142 1.00 1.50 N ATOM 0 H LYS A 114 -0.778 -0.280 -6.429 1.00 53.32 H new ATOM 0 HA LYS A 114 -1.970 1.738 -4.623 1.00 53.31 H new ATOM 0 HB2 LYS A 114 -3.177 -0.999 -5.317 1.00 64.32 H new ATOM 0 HB3 LYS A 114 -3.741 0.037 -4.020 1.00 64.32 H new ATOM 0 HG2 LYS A 114 -4.404 1.772 -5.687 1.00 73.33 H new ATOM 0 HG3 LYS A 114 -3.826 0.749 -6.987 1.00 73.33 H new ATOM 0 HD2 LYS A 114 -6.052 -0.093 -5.076 1.00 55.01 H new ATOM 0 HD3 LYS A 114 -6.357 0.747 -6.584 1.00 55.01 H new ATOM 0 HE2 LYS A 114 -6.727 -1.607 -6.960 1.00 65.34 H new ATOM 0 HE3 LYS A 114 -5.277 -1.147 -7.831 1.00 65.34 H new ATOM 0 HZ1 LYS A 114 -5.376 -3.285 -6.345 1.00 1.50 H new ATOM 0 HZ2 LYS A 114 -3.952 -2.370 -6.480 1.00 1.50 H new ATOM 0 HZ3 LYS A 114 -4.947 -2.195 -5.116 1.00 1.50 H new ATOM 1720 N TRP A 115 -0.900 0.467 -2.580 1.00 31.00 N ATOM 1721 CA TRP A 115 -1.429 1.786 -2.123 1.00 61.25 C ATOM 1722 C TRP A 115 -0.283 2.792 -1.798 1.00 72.11 C ATOM 1723 O TRP A 115 0.802 2.399 -1.355 1.00 4.22 O ATOM 1724 CB TRP A 115 -2.319 1.594 -0.857 1.00 5.41 C ATOM 1725 CG TRP A 115 -3.502 0.664 -1.049 1.00 21.53 C ATOM 1726 CD1 TRP A 115 -3.634 -0.622 -0.599 1.00 4.22 C ATOM 1727 CD2 TRP A 115 -4.713 0.955 -1.760 1.00 23.25 C ATOM 1728 NE1 TRP A 115 -4.843 -1.137 -0.974 1.00 32.22 N ATOM 1729 CE2 TRP A 115 -5.522 -0.196 -1.694 1.00 3.55 C ATOM 1730 CE3 TRP A 115 -5.191 2.074 -2.449 1.00 12.22 C ATOM 1731 CZ2 TRP A 115 -6.774 -0.264 -2.290 1.00 53.14 C ATOM 1732 CZ3 TRP A 115 -6.434 2.007 -3.034 1.00 61.22 C ATOM 1733 CH2 TRP A 115 -7.217 0.844 -2.954 1.00 33.25 C ATOM 0 H TRP A 115 -0.412 -0.034 -1.837 1.00 31.00 H new ATOM 0 HA TRP A 115 -2.022 2.199 -2.939 1.00 61.25 H new ATOM 0 HB2 TRP A 115 -1.698 1.208 -0.048 1.00 5.41 H new ATOM 0 HB3 TRP A 115 -2.688 2.569 -0.538 1.00 5.41 H new ATOM 0 HD1 TRP A 115 -2.888 -1.155 -0.028 1.00 4.22 H new ATOM 0 HE1 TRP A 115 -5.183 -2.073 -0.752 1.00 32.22 H new ATOM 0 HE3 TRP A 115 -4.596 2.973 -2.520 1.00 12.22 H new ATOM 0 HZ2 TRP A 115 -7.375 -1.159 -2.231 1.00 53.14 H new ATOM 0 HZ3 TRP A 115 -6.816 2.866 -3.566 1.00 61.22 H new ATOM 0 HH2 TRP A 115 -8.188 0.826 -3.427 1.00 33.25 H new ATOM 1744 N VAL A 116 -0.562 4.098 -2.021 1.00 12.43 N ATOM 1745 CA VAL A 116 0.348 5.229 -1.660 1.00 2.35 C ATOM 1746 C VAL A 116 -0.435 6.327 -0.903 1.00 70.34 C ATOM 1747 O VAL A 116 -1.575 6.607 -1.231 1.00 31.03 O ATOM 1748 CB VAL A 116 1.055 5.870 -2.923 1.00 42.34 C ATOM 1749 CG1 VAL A 116 2.131 4.921 -3.512 1.00 61.03 C ATOM 1750 CG2 VAL A 116 0.018 6.276 -4.007 1.00 74.34 C ATOM 0 H VAL A 116 -1.430 4.407 -2.459 1.00 12.43 H new ATOM 0 HA VAL A 116 1.125 4.811 -1.020 1.00 2.35 H new ATOM 0 HB VAL A 116 1.559 6.776 -2.588 1.00 42.34 H new ATOM 0 HG11 VAL A 116 2.597 5.392 -4.378 1.00 61.03 H new ATOM 0 HG12 VAL A 116 2.890 4.719 -2.757 1.00 61.03 H new ATOM 0 HG13 VAL A 116 1.663 3.985 -3.816 1.00 61.03 H new ATOM 0 HG21 VAL A 116 0.536 6.713 -4.861 1.00 74.34 H new ATOM 0 HG22 VAL A 116 -0.535 5.394 -4.330 1.00 74.34 H new ATOM 0 HG23 VAL A 116 -0.676 7.007 -3.591 1.00 74.34 H new ATOM 1760 N THR A 117 0.185 6.959 0.105 1.00 12.33 N ATOM 1761 CA THR A 117 -0.502 7.969 0.960 1.00 11.42 C ATOM 1762 C THR A 117 -0.163 9.418 0.556 1.00 41.33 C ATOM 1763 O THR A 117 0.760 9.668 -0.225 1.00 44.25 O ATOM 1764 CB THR A 117 -0.168 7.773 2.475 1.00 31.43 C ATOM 1765 OG1 THR A 117 1.239 7.924 2.708 1.00 40.41 O ATOM 1766 CG2 THR A 117 -0.635 6.401 2.976 1.00 34.32 C ATOM 0 H THR A 117 1.160 6.796 0.357 1.00 12.33 H new ATOM 0 HA THR A 117 -1.568 7.806 0.801 1.00 11.42 H new ATOM 0 HB THR A 117 -0.704 8.542 3.031 1.00 31.43 H new ATOM 0 HG1 THR A 117 1.428 7.799 3.662 1.00 40.41 H new ATOM 0 HG21 THR A 117 -0.388 6.296 4.032 1.00 34.32 H new ATOM 0 HG22 THR A 117 -1.714 6.314 2.845 1.00 34.32 H new ATOM 0 HG23 THR A 117 -0.136 5.617 2.407 1.00 34.32 H new ATOM 1774 N GLU A 118 -0.947 10.361 1.121 1.00 34.03 N ATOM 1775 CA GLU A 118 -0.749 11.828 0.971 1.00 14.45 C ATOM 1776 C GLU A 118 0.673 12.264 1.417 1.00 64.13 C ATOM 1777 O GLU A 118 1.306 13.133 0.799 1.00 1.14 O ATOM 1778 CB GLU A 118 -1.830 12.564 1.824 1.00 34.42 C ATOM 1779 CG GLU A 118 -1.798 14.110 1.776 1.00 41.31 C ATOM 1780 CD GLU A 118 -2.365 14.705 0.477 1.00 21.12 C ATOM 1781 OE1 GLU A 118 -1.747 14.537 -0.581 1.00 63.21 O ATOM 1782 OE2 GLU A 118 -3.454 15.314 0.503 1.00 73.35 O ATOM 0 H GLU A 118 -1.750 10.126 1.705 1.00 34.03 H new ATOM 0 HA GLU A 118 -0.851 12.091 -0.082 1.00 14.45 H new ATOM 0 HB2 GLU A 118 -2.814 12.231 1.493 1.00 34.42 H new ATOM 0 HB3 GLU A 118 -1.720 12.251 2.862 1.00 34.42 H new ATOM 0 HG2 GLU A 118 -2.364 14.502 2.621 1.00 41.31 H new ATOM 0 HG3 GLU A 118 -0.768 14.446 1.899 1.00 41.31 H new ATOM 1789 N ASP A 119 1.146 11.613 2.493 1.00 33.22 N ATOM 1790 CA ASP A 119 2.477 11.829 3.094 1.00 74.24 C ATOM 1791 C ASP A 119 3.626 11.572 2.079 1.00 53.31 C ATOM 1792 O ASP A 119 4.601 12.330 2.015 1.00 31.43 O ATOM 1793 CB ASP A 119 2.610 10.886 4.322 1.00 24.23 C ATOM 1794 CG ASP A 119 3.868 11.142 5.165 1.00 72.51 C ATOM 1795 OD1 ASP A 119 3.852 12.079 5.993 1.00 75.43 O ATOM 1796 OD2 ASP A 119 4.874 10.418 5.006 1.00 23.14 O ATOM 0 H ASP A 119 0.601 10.904 2.983 1.00 33.22 H new ATOM 0 HA ASP A 119 2.564 12.871 3.400 1.00 74.24 H new ATOM 0 HB2 ASP A 119 1.730 11.002 4.955 1.00 24.23 H new ATOM 0 HB3 ASP A 119 2.620 9.853 3.976 1.00 24.23 H new ATOM 1801 N GLU A 120 3.456 10.524 1.261 1.00 34.34 N ATOM 1802 CA GLU A 120 4.511 9.992 0.363 1.00 12.52 C ATOM 1803 C GLU A 120 4.537 10.679 -1.034 1.00 21.53 C ATOM 1804 O GLU A 120 5.400 10.354 -1.860 1.00 30.22 O ATOM 1805 CB GLU A 120 4.305 8.455 0.224 1.00 21.03 C ATOM 1806 CG GLU A 120 4.322 7.699 1.574 1.00 63.31 C ATOM 1807 CD GLU A 120 3.990 6.201 1.462 1.00 23.13 C ATOM 1808 OE1 GLU A 120 2.916 5.874 0.914 1.00 75.34 O ATOM 1809 OE2 GLU A 120 4.771 5.348 1.958 1.00 71.50 O ATOM 0 H GLU A 120 2.577 10.011 1.198 1.00 34.34 H new ATOM 0 HA GLU A 120 5.480 10.212 0.810 1.00 12.52 H new ATOM 0 HB2 GLU A 120 3.354 8.269 -0.274 1.00 21.03 H new ATOM 0 HB3 GLU A 120 5.086 8.050 -0.419 1.00 21.03 H new ATOM 0 HG2 GLU A 120 5.308 7.808 2.027 1.00 63.31 H new ATOM 0 HG3 GLU A 120 3.607 8.169 2.250 1.00 63.31 H new ATOM 1816 N LEU A 121 3.623 11.646 -1.287 1.00 54.41 N ATOM 1817 CA LEU A 121 3.502 12.341 -2.606 1.00 12.42 C ATOM 1818 C LEU A 121 3.714 13.878 -2.449 1.00 10.12 C ATOM 1819 O LEU A 121 3.643 14.407 -1.334 1.00 2.52 O ATOM 1820 CB LEU A 121 2.098 12.057 -3.230 1.00 63.33 C ATOM 1821 CG LEU A 121 1.725 10.553 -3.467 1.00 53.24 C ATOM 1822 CD1 LEU A 121 0.279 10.406 -4.000 1.00 42.53 C ATOM 1823 CD2 LEU A 121 2.738 9.859 -4.407 1.00 41.20 C ATOM 0 H LEU A 121 2.950 11.970 -0.593 1.00 54.41 H new ATOM 0 HA LEU A 121 4.277 11.956 -3.269 1.00 12.42 H new ATOM 0 HB2 LEU A 121 1.341 12.497 -2.580 1.00 63.33 H new ATOM 0 HB3 LEU A 121 2.039 12.577 -4.186 1.00 63.33 H new ATOM 0 HG LEU A 121 1.775 10.051 -2.501 1.00 53.24 H new ATOM 0 HD11 LEU A 121 0.053 9.351 -4.153 1.00 42.53 H new ATOM 0 HD12 LEU A 121 -0.420 10.825 -3.276 1.00 42.53 H new ATOM 0 HD13 LEU A 121 0.184 10.938 -4.946 1.00 42.53 H new ATOM 0 HD21 LEU A 121 2.448 8.818 -4.549 1.00 41.20 H new ATOM 0 HD22 LEU A 121 2.747 10.368 -5.371 1.00 41.20 H new ATOM 0 HD23 LEU A 121 3.733 9.902 -3.964 1.00 41.20 H new ATOM 1835 N SER A 122 3.966 14.584 -3.578 1.00 14.45 N ATOM 1836 CA SER A 122 4.082 16.074 -3.612 1.00 74.34 C ATOM 1837 C SER A 122 3.520 16.629 -4.940 1.00 31.42 C ATOM 1838 O SER A 122 3.973 16.242 -6.005 1.00 21.15 O ATOM 1839 CB SER A 122 5.552 16.532 -3.414 1.00 33.21 C ATOM 1840 OG SER A 122 6.412 16.033 -4.425 1.00 41.34 O ATOM 0 H SER A 122 4.095 14.145 -4.490 1.00 14.45 H new ATOM 0 HA SER A 122 3.493 16.473 -2.786 1.00 74.34 H new ATOM 0 HB2 SER A 122 5.593 17.621 -3.410 1.00 33.21 H new ATOM 0 HB3 SER A 122 5.907 16.196 -2.440 1.00 33.21 H new ATOM 0 HG SER A 122 6.091 15.157 -4.725 1.00 41.34 H new ATOM 1846 N ALA A 123 2.544 17.554 -4.858 1.00 42.52 N ATOM 1847 CA ALA A 123 1.790 18.064 -6.031 1.00 31.34 C ATOM 1848 C ALA A 123 2.670 18.877 -7.020 1.00 53.03 C ATOM 1849 O ALA A 123 3.448 19.748 -6.609 1.00 1.31 O ATOM 1850 CB ALA A 123 0.597 18.902 -5.547 1.00 5.53 C ATOM 0 H ALA A 123 2.252 17.973 -3.975 1.00 42.52 H new ATOM 0 HA ALA A 123 1.435 17.198 -6.590 1.00 31.34 H new ATOM 0 HB1 ALA A 123 0.043 19.277 -6.407 1.00 5.53 H new ATOM 0 HB2 ALA A 123 -0.059 18.282 -4.935 1.00 5.53 H new ATOM 0 HB3 ALA A 123 0.959 19.742 -4.955 1.00 5.53 H new ATOM 1856 N LYS A 124 2.534 18.579 -8.330 1.00 45.41 N ATOM 1857 CA LYS A 124 3.294 19.256 -9.411 1.00 11.15 C ATOM 1858 C LYS A 124 2.465 20.414 -10.037 1.00 53.34 C ATOM 1859 O LYS A 124 1.540 20.170 -10.821 1.00 1.01 O ATOM 1860 CB LYS A 124 3.700 18.210 -10.499 1.00 72.42 C ATOM 1861 CG LYS A 124 4.675 18.695 -11.621 1.00 34.24 C ATOM 1862 CD LYS A 124 6.163 18.822 -11.155 1.00 54.50 C ATOM 1863 CE LYS A 124 6.467 20.101 -10.352 1.00 51.34 C ATOM 1864 NZ LYS A 124 7.779 20.058 -9.679 1.00 1.10 N ATOM 0 H LYS A 124 1.894 17.862 -8.672 1.00 45.41 H new ATOM 0 HA LYS A 124 4.197 19.694 -8.985 1.00 11.15 H new ATOM 0 HB2 LYS A 124 4.159 17.359 -9.996 1.00 72.42 H new ATOM 0 HB3 LYS A 124 2.790 17.846 -10.975 1.00 72.42 H new ATOM 0 HG2 LYS A 124 4.625 17.999 -12.458 1.00 34.24 H new ATOM 0 HG3 LYS A 124 4.336 19.663 -11.990 1.00 34.24 H new ATOM 0 HD2 LYS A 124 6.416 17.955 -10.545 1.00 54.50 H new ATOM 0 HD3 LYS A 124 6.810 18.795 -12.032 1.00 54.50 H new ATOM 0 HE2 LYS A 124 6.436 20.960 -11.022 1.00 51.34 H new ATOM 0 HE3 LYS A 124 5.686 20.250 -9.606 1.00 51.34 H new ATOM 0 HZ1 LYS A 124 7.929 20.944 -9.155 1.00 1.10 H new ATOM 0 HZ2 LYS A 124 7.804 19.256 -9.018 1.00 1.10 H new ATOM 0 HZ3 LYS A 124 8.530 19.944 -10.389 1.00 1.10 H new ATOM 1878 N LEU A 125 2.784 21.670 -9.650 1.00 10.55 N ATOM 1879 CA LEU A 125 2.100 22.889 -10.170 1.00 35.53 C ATOM 1880 C LEU A 125 2.998 23.608 -11.203 1.00 4.32 C ATOM 1881 O LEU A 125 2.601 23.823 -12.359 1.00 61.44 O ATOM 1882 CB LEU A 125 1.725 23.876 -9.014 1.00 54.24 C ATOM 1883 CG LEU A 125 0.568 23.438 -8.048 1.00 22.30 C ATOM 1884 CD1 LEU A 125 0.970 22.253 -7.148 1.00 10.23 C ATOM 1885 CD2 LEU A 125 0.069 24.633 -7.197 1.00 15.31 C ATOM 0 H LEU A 125 3.518 21.873 -8.972 1.00 10.55 H new ATOM 0 HA LEU A 125 1.177 22.568 -10.653 1.00 35.53 H new ATOM 0 HB2 LEU A 125 2.619 24.050 -8.415 1.00 54.24 H new ATOM 0 HB3 LEU A 125 1.450 24.831 -9.461 1.00 54.24 H new ATOM 0 HG LEU A 125 -0.254 23.096 -8.677 1.00 22.30 H new ATOM 0 HD11 LEU A 125 0.135 21.989 -6.499 1.00 10.23 H new ATOM 0 HD12 LEU A 125 1.231 21.396 -7.769 1.00 10.23 H new ATOM 0 HD13 LEU A 125 1.829 22.534 -6.538 1.00 10.23 H new ATOM 0 HD21 LEU A 125 -0.732 24.300 -6.537 1.00 15.31 H new ATOM 0 HD22 LEU A 125 0.893 25.023 -6.599 1.00 15.31 H new ATOM 0 HD23 LEU A 125 -0.305 25.417 -7.855 1.00 15.31 H new ATOM 1897 N GLU A 126 4.206 23.993 -10.756 1.00 75.51 N ATOM 1898 CA GLU A 126 5.239 24.619 -11.609 1.00 21.42 C ATOM 1899 C GLU A 126 5.810 23.616 -12.648 1.00 74.32 C ATOM 1900 O GLU A 126 5.578 22.404 -12.556 1.00 50.43 O ATOM 1901 CB GLU A 126 6.396 25.213 -10.740 1.00 70.21 C ATOM 1902 CG GLU A 126 7.241 24.186 -9.924 1.00 20.41 C ATOM 1903 CD GLU A 126 6.588 23.714 -8.602 1.00 54.22 C ATOM 1904 OE1 GLU A 126 5.753 22.777 -8.625 1.00 54.13 O ATOM 1905 OE2 GLU A 126 6.918 24.272 -7.535 1.00 1.12 O ATOM 0 H GLU A 126 4.498 23.879 -9.785 1.00 75.51 H new ATOM 0 HA GLU A 126 4.758 25.431 -12.155 1.00 21.42 H new ATOM 0 HB2 GLU A 126 7.068 25.766 -11.396 1.00 70.21 H new ATOM 0 HB3 GLU A 126 5.967 25.933 -10.044 1.00 70.21 H new ATOM 0 HG2 GLU A 126 7.432 23.314 -10.550 1.00 20.41 H new ATOM 0 HG3 GLU A 126 8.209 24.633 -9.696 1.00 20.41 H new ATOM 1912 N HIS A 127 6.563 24.154 -13.632 1.00 51.12 N ATOM 1913 CA HIS A 127 7.152 23.373 -14.755 1.00 22.54 C ATOM 1914 C HIS A 127 6.063 22.702 -15.637 1.00 75.21 C ATOM 1915 O HIS A 127 6.272 21.616 -16.192 1.00 25.31 O ATOM 1916 CB HIS A 127 8.197 22.344 -14.231 1.00 1.22 C ATOM 1917 CG HIS A 127 9.411 22.988 -13.619 1.00 32.22 C ATOM 1918 ND1 HIS A 127 9.697 22.956 -12.270 1.00 4.32 N ATOM 1919 CD2 HIS A 127 10.420 23.683 -14.194 1.00 32.02 C ATOM 1920 CE1 HIS A 127 10.818 23.612 -12.043 1.00 70.13 C ATOM 1921 NE2 HIS A 127 11.274 24.055 -13.191 1.00 0.12 N ATOM 0 H HIS A 127 6.784 25.149 -13.675 1.00 51.12 H new ATOM 0 HA HIS A 127 7.678 24.076 -15.401 1.00 22.54 H new ATOM 0 HB2 HIS A 127 7.723 21.701 -13.490 1.00 1.22 H new ATOM 0 HB3 HIS A 127 8.511 21.703 -15.055 1.00 1.22 H new ATOM 0 HD2 HIS A 127 10.531 23.903 -15.246 1.00 32.02 H new ATOM 0 HE1 HIS A 127 11.281 23.759 -11.079 1.00 70.13 H new ATOM 0 HE2 HIS A 127 12.132 24.593 -13.316 1.00 0.12 H new ATOM 1930 N HIS A 128 4.913 23.395 -15.774 1.00 24.11 N ATOM 1931 CA HIS A 128 3.814 22.967 -16.671 1.00 10.42 C ATOM 1932 C HIS A 128 4.286 22.953 -18.153 1.00 63.02 C ATOM 1933 O HIS A 128 4.633 23.993 -18.719 1.00 61.42 O ATOM 1934 CB HIS A 128 2.549 23.859 -16.466 1.00 64.43 C ATOM 1935 CG HIS A 128 2.779 25.362 -16.455 1.00 25.03 C ATOM 1936 ND1 HIS A 128 2.703 26.126 -15.306 1.00 50.22 N ATOM 1937 CD2 HIS A 128 3.049 26.245 -17.457 1.00 40.00 C ATOM 1938 CE1 HIS A 128 2.913 27.393 -15.602 1.00 1.23 C ATOM 1939 NE2 HIS A 128 3.127 27.494 -16.895 1.00 42.10 N ATOM 0 H HIS A 128 4.719 24.261 -15.271 1.00 24.11 H new ATOM 0 HA HIS A 128 3.532 21.946 -16.412 1.00 10.42 H new ATOM 0 HB2 HIS A 128 1.836 23.628 -17.257 1.00 64.43 H new ATOM 0 HB3 HIS A 128 2.081 23.578 -15.523 1.00 64.43 H new ATOM 0 HD2 HIS A 128 3.178 26.005 -18.502 1.00 40.00 H new ATOM 0 HE1 HIS A 128 2.910 28.213 -14.899 1.00 1.23 H new ATOM 0 HE2 HIS A 128 3.320 28.360 -17.398 1.00 42.10 H new ATOM 1948 N HIS A 129 4.321 21.758 -18.758 1.00 10.40 N ATOM 1949 CA HIS A 129 4.933 21.539 -20.088 1.00 5.13 C ATOM 1950 C HIS A 129 3.974 21.962 -21.227 1.00 14.23 C ATOM 1951 O HIS A 129 3.009 21.251 -21.526 1.00 13.25 O ATOM 1952 CB HIS A 129 5.331 20.045 -20.239 1.00 55.22 C ATOM 1953 CG HIS A 129 6.127 19.507 -19.080 1.00 24.24 C ATOM 1954 ND1 HIS A 129 5.541 18.891 -17.994 1.00 43.34 N ATOM 1955 CD2 HIS A 129 7.457 19.514 -18.827 1.00 4.14 C ATOM 1956 CE1 HIS A 129 6.466 18.544 -17.132 1.00 33.11 C ATOM 1957 NE2 HIS A 129 7.635 18.909 -17.609 1.00 42.05 N ATOM 0 H HIS A 129 3.928 20.913 -18.345 1.00 10.40 H new ATOM 0 HA HIS A 129 5.826 22.160 -20.163 1.00 5.13 H new ATOM 0 HB2 HIS A 129 4.426 19.448 -20.355 1.00 55.22 H new ATOM 0 HB3 HIS A 129 5.912 19.924 -21.153 1.00 55.22 H new ATOM 0 HD2 HIS A 129 8.230 19.919 -19.463 1.00 4.14 H new ATOM 0 HE1 HIS A 129 6.296 18.043 -16.190 1.00 33.11 H new ATOM 0 HE2 HIS A 129 8.533 18.765 -17.147 1.00 42.05 H new ATOM 1966 N HIS A 130 4.221 23.148 -21.821 1.00 4.52 N ATOM 1967 CA HIS A 130 3.493 23.600 -23.028 1.00 33.34 C ATOM 1968 C HIS A 130 3.812 22.665 -24.221 1.00 4.25 C ATOM 1969 O HIS A 130 4.981 22.509 -24.597 1.00 30.24 O ATOM 1970 CB HIS A 130 3.845 25.075 -23.371 1.00 54.02 C ATOM 1971 CG HIS A 130 3.142 25.604 -24.602 1.00 23.32 C ATOM 1972 ND1 HIS A 130 1.823 26.009 -24.601 1.00 43.41 N ATOM 1973 CD2 HIS A 130 3.572 25.754 -25.880 1.00 14.12 C ATOM 1974 CE1 HIS A 130 1.475 26.382 -25.817 1.00 53.24 C ATOM 1975 NE2 HIS A 130 2.513 26.238 -26.612 1.00 31.45 N ATOM 0 H HIS A 130 4.919 23.811 -21.485 1.00 4.52 H new ATOM 0 HA HIS A 130 2.423 23.554 -22.825 1.00 33.34 H new ATOM 0 HB2 HIS A 130 3.590 25.706 -22.520 1.00 54.02 H new ATOM 0 HB3 HIS A 130 4.922 25.156 -23.517 1.00 54.02 H new ATOM 0 HD2 HIS A 130 4.561 25.534 -26.253 1.00 14.12 H new ATOM 0 HE1 HIS A 130 0.501 26.745 -26.111 1.00 53.24 H new ATOM 0 HE2 HIS A 130 2.530 26.451 -27.609 1.00 31.45 H new ATOM 1984 N HIS A 131 2.760 22.046 -24.791 1.00 64.12 N ATOM 1985 CA HIS A 131 2.899 21.068 -25.892 1.00 15.20 C ATOM 1986 C HIS A 131 3.559 21.684 -27.154 1.00 63.15 C ATOM 1987 O HIS A 131 3.240 22.807 -27.553 1.00 11.44 O ATOM 1988 CB HIS A 131 1.517 20.454 -26.246 1.00 3.43 C ATOM 1989 CG HIS A 131 1.541 19.483 -27.410 1.00 21.01 C ATOM 1990 ND1 HIS A 131 2.149 18.244 -27.349 1.00 43.14 N ATOM 1991 CD2 HIS A 131 1.066 19.595 -28.680 1.00 51.33 C ATOM 1992 CE1 HIS A 131 2.049 17.642 -28.517 1.00 53.52 C ATOM 1993 NE2 HIS A 131 1.399 18.435 -29.341 1.00 35.12 N ATOM 0 H HIS A 131 1.794 22.207 -24.505 1.00 64.12 H new ATOM 0 HA HIS A 131 3.563 20.279 -25.539 1.00 15.20 H new ATOM 0 HB2 HIS A 131 1.126 19.940 -25.368 1.00 3.43 H new ATOM 0 HB3 HIS A 131 0.823 21.262 -26.477 1.00 3.43 H new ATOM 0 HD2 HIS A 131 0.529 20.436 -29.092 1.00 51.33 H new ATOM 0 HE1 HIS A 131 2.436 16.663 -28.757 1.00 53.52 H new ATOM 0 HE2 HIS A 131 1.177 18.224 -30.314 1.00 35.12 H new ATOM 2002 N HIS A 132 4.490 20.920 -27.753 1.00 60.14 N ATOM 2003 CA HIS A 132 5.147 21.267 -29.037 1.00 60.44 C ATOM 2004 C HIS A 132 4.810 20.182 -30.106 1.00 64.42 C ATOM 2005 O HIS A 132 3.860 20.379 -30.891 1.00 39.22 O ATOM 2006 CB HIS A 132 6.683 21.407 -28.834 1.00 14.11 C ATOM 2007 CG HIS A 132 7.066 22.456 -27.826 1.00 20.42 C ATOM 2008 ND1 HIS A 132 7.588 22.157 -26.586 1.00 54.51 N ATOM 2009 CD2 HIS A 132 6.993 23.806 -27.879 1.00 73.34 C ATOM 2010 CE1 HIS A 132 7.825 23.269 -25.927 1.00 62.45 C ATOM 2011 NE2 HIS A 132 7.473 24.284 -26.686 1.00 71.40 N ATOM 2012 OXT HIS A 132 5.471 19.113 -30.118 1.00 39.22 O ATOM 0 H HIS A 132 4.814 20.036 -27.360 1.00 60.14 H new ATOM 0 HA HIS A 132 4.772 22.227 -29.392 1.00 60.44 H new ATOM 0 HB2 HIS A 132 7.088 20.446 -28.517 1.00 14.11 H new ATOM 0 HB3 HIS A 132 7.147 21.648 -29.791 1.00 14.11 H new ATOM 0 HD2 HIS A 132 6.626 24.396 -28.705 1.00 73.34 H new ATOM 0 HE1 HIS A 132 8.238 23.338 -24.932 1.00 62.45 H new ATOM 0 HE2 HIS A 132 7.545 25.268 -26.429 1.00 71.40 H new TER 2021 HIS A 132