USER MOD reduce.3.24.130724 H: found=0, std=0, add=1074, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1074 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 87 TYR OH : rot -172:sc= 1.71 USER MOD Set 1.2: A 112 GLN : amide:sc= 0.526 K(o=2.2,f=1.2) USER MOD Set 2.1: A 73 GLN : amide:sc= 0.765 K(o=1.7,f=-2.2) USER MOD Set 2.2: A 76 LYS NZ :NH3+ -169:sc= 0.891 (180deg=0) USER MOD Set 3.1: A 48 GLN : amide:sc= 0.302 K(o=1.1,f=-0.41) USER MOD Set 3.2: A 82 GLN : amide:sc= 0.772 K(o=1.1,f=-0.4) USER MOD Set 4.1: A 34 THR OG1 : rot 123:sc= 0.0934 USER MOD Set 4.2: A 47 TYR OH : rot 180:sc= 0.0939 USER MOD Set 5.1: A 15 SER OG : rot -116:sc= 0.697 USER MOD Set 5.2: A 57 SER OG : rot 180:sc= 0.766 USER MOD Single : A 10 THR OG1 : rot 140:sc= 0.189 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc=-0.000535 K(o=-0.00054,f=-2.6!) USER MOD Single : A 27 THR OG1 : rot 95:sc= 1.25 USER MOD Single : A 29 GLN : amide:sc= 0.954 K(o=0.95,f=-0.98) USER MOD Single : A 31 HIS : +bothHN:sc= 1.8 K(o=1.8,f=-5.5!) USER MOD Single : A 32 LYS NZ :NH3+ 177:sc= 1.25 (180deg=1.24) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 171:sc= 1.25 (180deg=1.16) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 160:sc= 0 USER MOD Single : A 58 THR OG1 : rot 76:sc= 0.519 USER MOD Single : A 59 THR OG1 : rot 160:sc= 1.14 USER MOD Single : A 67 SER OG : rot 133:sc= 1.23 USER MOD Single : A 78 SER OG : rot 82:sc= 1.05 USER MOD Single : A 84 ASN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 95 SER OG : rot -127:sc= 1.29 USER MOD Single : A 96 SER OG : rot 101:sc= 1.25 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 101 CYS SG : rot 59:sc= 0.835 USER MOD Single : A 102 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 LYS NZ :NH3+ 165:sc= 0.873 (180deg=0.73) USER MOD Single : A 106 GLN : amide:sc= 0.995 K(o=1,f=-3.6) USER MOD Single : A 114 GLN : amide:sc= 0.32 K(o=0.32,f=-0.76) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 117 GLN : amide:sc= 0.938 K(o=0.94,f=0) USER MOD Single : A 122 MET CE :methyl -169:sc= -0.318 (180deg=-0.672) USER MOD Single : A 128 SER OG : rot 57:sc= 1.24 USER MOD Single : A 130 ASN : amide:sc= 2.27 K(o=2.3,f=-4.5!) USER MOD Single : A 135 THR OG1 : rot -69:sc= 1.17 USER MOD Single : A 137 SER OG : rot 80:sc= 1.13 USER MOD Single : A 138 ASN : amide:sc= 0.982 K(o=0.98,f=-1.1) USER MOD Single : A 143 HIS : no HD1:sc= -0.123 X(o=-0.12,f=0) USER MOD Single : A 146 THR OG1 : rot -50:sc= 1.29 USER MOD Single : A 149 SER OG : rot 44:sc= 1.06 USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 5.499 0.769 -0.503 1.00 0.00 N ATOM 21 CA ALA A 2 5.888 2.170 -0.691 1.00 0.00 C ATOM 22 C ALA A 2 5.514 2.705 -2.090 1.00 0.00 C ATOM 23 O ALA A 2 4.944 1.991 -2.918 1.00 0.00 O ATOM 24 CB ALA A 2 7.405 2.252 -0.438 1.00 0.00 C ATOM 0 HA ALA A 2 5.344 2.804 0.009 1.00 0.00 H new ATOM 0 HB1 ALA A 2 7.740 3.281 -0.567 1.00 0.00 H new ATOM 0 HB2 ALA A 2 7.623 1.925 0.579 1.00 0.00 H new ATOM 0 HB3 ALA A 2 7.927 1.609 -1.146 1.00 0.00 H new ATOM 30 N GLU A 3 5.870 3.963 -2.364 1.00 0.00 N ATOM 31 CA GLU A 3 5.718 4.633 -3.663 1.00 0.00 C ATOM 32 C GLU A 3 7.075 5.242 -4.066 1.00 0.00 C ATOM 33 O GLU A 3 7.649 5.996 -3.275 1.00 0.00 O ATOM 34 CB GLU A 3 4.643 5.737 -3.583 1.00 0.00 C ATOM 35 CG GLU A 3 3.291 5.305 -2.996 1.00 0.00 C ATOM 36 CD GLU A 3 2.244 6.434 -3.092 1.00 0.00 C ATOM 37 OE1 GLU A 3 2.462 7.525 -2.511 1.00 0.00 O ATOM 38 OE2 GLU A 3 1.191 6.236 -3.744 1.00 0.00 O1- ATOM 0 H GLU A 3 6.290 4.569 -1.659 1.00 0.00 H new ATOM 0 HA GLU A 3 5.399 3.907 -4.411 1.00 0.00 H new ATOM 0 HB2 GLU A 3 5.034 6.558 -2.982 1.00 0.00 H new ATOM 0 HB3 GLU A 3 4.475 6.129 -4.586 1.00 0.00 H new ATOM 0 HG2 GLU A 3 2.928 4.425 -3.527 1.00 0.00 H new ATOM 0 HG3 GLU A 3 3.422 5.017 -1.953 1.00 0.00 H new ATOM 45 N ILE A 4 7.595 4.911 -5.258 1.00 0.00 N ATOM 46 CA ILE A 4 8.958 5.264 -5.700 1.00 0.00 C ATOM 47 C ILE A 4 8.964 6.058 -7.007 1.00 0.00 C ATOM 48 O ILE A 4 8.468 5.595 -8.039 1.00 0.00 O ATOM 49 CB ILE A 4 9.896 4.039 -5.903 1.00 0.00 C ATOM 50 CG1 ILE A 4 9.605 2.799 -5.030 1.00 0.00 C ATOM 51 CG2 ILE A 4 11.358 4.494 -5.743 1.00 0.00 C ATOM 52 CD1 ILE A 4 9.819 2.962 -3.528 1.00 0.00 C ATOM 0 H ILE A 4 7.073 4.381 -5.956 1.00 0.00 H new ATOM 0 HA ILE A 4 9.338 5.872 -4.879 1.00 0.00 H new ATOM 0 HB ILE A 4 9.696 3.685 -6.914 1.00 0.00 H new ATOM 0 HG12 ILE A 4 8.571 2.498 -5.197 1.00 0.00 H new ATOM 0 HG13 ILE A 4 10.235 1.980 -5.378 1.00 0.00 H new ATOM 0 HG21 ILE A 4 12.022 3.641 -5.884 1.00 0.00 H new ATOM 0 HG22 ILE A 4 11.585 5.257 -6.487 1.00 0.00 H new ATOM 0 HG23 ILE A 4 11.504 4.906 -4.744 1.00 0.00 H new ATOM 0 HD11 ILE A 4 9.582 2.025 -3.023 1.00 0.00 H new ATOM 0 HD12 ILE A 4 10.859 3.226 -3.335 1.00 0.00 H new ATOM 0 HD13 ILE A 4 9.169 3.752 -3.151 1.00 0.00 H new ATOM 64 N GLY A 5 9.586 7.234 -6.973 1.00 0.00 N ATOM 65 CA GLY A 5 9.899 8.002 -8.175 1.00 0.00 C ATOM 66 C GLY A 5 11.284 7.561 -8.662 1.00 0.00 C ATOM 67 O GLY A 5 12.221 7.510 -7.860 1.00 0.00 O ATOM 0 H GLY A 5 9.888 7.682 -6.108 1.00 0.00 H new ATOM 0 HA2 GLY A 5 9.149 7.828 -8.946 1.00 0.00 H new ATOM 0 HA3 GLY A 5 9.892 9.070 -7.959 1.00 0.00 H new ATOM 71 N ILE A 6 11.415 7.199 -9.940 1.00 0.00 N ATOM 72 CA ILE A 6 12.623 6.574 -10.506 1.00 0.00 C ATOM 73 C ILE A 6 13.159 7.496 -11.602 1.00 0.00 C ATOM 74 O ILE A 6 12.754 7.442 -12.767 1.00 0.00 O ATOM 75 CB ILE A 6 12.352 5.128 -10.972 1.00 0.00 C ATOM 76 CG1 ILE A 6 11.772 4.285 -9.810 1.00 0.00 C ATOM 77 CG2 ILE A 6 13.642 4.491 -11.525 1.00 0.00 C ATOM 78 CD1 ILE A 6 11.450 2.842 -10.199 1.00 0.00 C ATOM 0 H ILE A 6 10.673 7.333 -10.627 1.00 0.00 H new ATOM 0 HA ILE A 6 13.396 6.466 -9.745 1.00 0.00 H new ATOM 0 HB ILE A 6 11.614 5.152 -11.774 1.00 0.00 H new ATOM 0 HG12 ILE A 6 12.485 4.279 -8.986 1.00 0.00 H new ATOM 0 HG13 ILE A 6 10.864 4.764 -9.443 1.00 0.00 H new ATOM 0 HG21 ILE A 6 13.434 3.471 -11.849 1.00 0.00 H new ATOM 0 HG22 ILE A 6 14.002 5.075 -12.372 1.00 0.00 H new ATOM 0 HG23 ILE A 6 14.403 4.475 -10.745 1.00 0.00 H new ATOM 0 HD11 ILE A 6 11.048 2.313 -9.335 1.00 0.00 H new ATOM 0 HD12 ILE A 6 10.713 2.837 -11.002 1.00 0.00 H new ATOM 0 HD13 ILE A 6 12.359 2.345 -10.538 1.00 0.00 H new ATOM 90 N PHE A 7 14.048 8.394 -11.199 1.00 0.00 N ATOM 91 CA PHE A 7 14.520 9.506 -12.019 1.00 0.00 C ATOM 92 C PHE A 7 15.769 9.128 -12.812 1.00 0.00 C ATOM 93 O PHE A 7 16.705 8.527 -12.274 1.00 0.00 O ATOM 94 CB PHE A 7 14.770 10.712 -11.108 1.00 0.00 C ATOM 95 CG PHE A 7 13.557 11.023 -10.254 1.00 0.00 C ATOM 96 CD1 PHE A 7 12.497 11.784 -10.776 1.00 0.00 C ATOM 97 CD2 PHE A 7 13.438 10.443 -8.978 1.00 0.00 C ATOM 98 CE1 PHE A 7 11.322 11.957 -10.023 1.00 0.00 C ATOM 99 CE2 PHE A 7 12.272 10.633 -8.220 1.00 0.00 C ATOM 100 CZ PHE A 7 11.205 11.379 -8.748 1.00 0.00 C ATOM 0 H PHE A 7 14.472 8.370 -10.272 1.00 0.00 H new ATOM 0 HA PHE A 7 13.759 9.763 -12.756 1.00 0.00 H new ATOM 0 HB2 PHE A 7 15.627 10.512 -10.465 1.00 0.00 H new ATOM 0 HB3 PHE A 7 15.022 11.582 -11.715 1.00 0.00 H new ATOM 0 HD1 PHE A 7 12.585 12.235 -11.753 1.00 0.00 H new ATOM 0 HD2 PHE A 7 14.247 9.849 -8.580 1.00 0.00 H new ATOM 0 HE1 PHE A 7 10.505 12.537 -10.427 1.00 0.00 H new ATOM 0 HE2 PHE A 7 12.195 10.206 -7.231 1.00 0.00 H new ATOM 0 HZ PHE A 7 10.298 11.508 -8.176 1.00 0.00 H new ATOM 110 N VAL A 8 15.779 9.505 -14.093 1.00 0.00 N ATOM 111 CA VAL A 8 16.786 9.051 -15.055 1.00 0.00 C ATOM 112 C VAL A 8 17.588 10.225 -15.601 1.00 0.00 C ATOM 113 O VAL A 8 17.051 11.299 -15.874 1.00 0.00 O ATOM 114 CB VAL A 8 16.148 8.243 -16.199 1.00 0.00 C ATOM 115 CG1 VAL A 8 17.201 7.576 -17.089 1.00 0.00 C ATOM 116 CG2 VAL A 8 15.247 7.129 -15.648 1.00 0.00 C ATOM 0 H VAL A 8 15.086 10.137 -14.494 1.00 0.00 H new ATOM 0 HA VAL A 8 17.471 8.389 -14.525 1.00 0.00 H new ATOM 0 HB VAL A 8 15.569 8.958 -16.784 1.00 0.00 H new ATOM 0 HG11 VAL A 8 16.705 7.017 -17.883 1.00 0.00 H new ATOM 0 HG12 VAL A 8 17.842 8.340 -17.529 1.00 0.00 H new ATOM 0 HG13 VAL A 8 17.806 6.896 -16.489 1.00 0.00 H new ATOM 0 HG21 VAL A 8 14.808 6.573 -16.476 1.00 0.00 H new ATOM 0 HG22 VAL A 8 15.840 6.454 -15.031 1.00 0.00 H new ATOM 0 HG23 VAL A 8 14.453 7.569 -15.045 1.00 0.00 H new ATOM 126 N GLY A 9 18.884 9.986 -15.803 1.00 0.00 N ATOM 127 CA GLY A 9 19.815 10.917 -16.429 1.00 0.00 C ATOM 128 C GLY A 9 20.645 10.180 -17.474 1.00 0.00 C ATOM 129 O GLY A 9 21.530 9.403 -17.127 1.00 0.00 O ATOM 0 H GLY A 9 19.326 9.110 -15.525 1.00 0.00 H new ATOM 0 HA2 GLY A 9 19.268 11.737 -16.895 1.00 0.00 H new ATOM 0 HA3 GLY A 9 20.468 11.357 -15.675 1.00 0.00 H new ATOM 133 N THR A 10 20.345 10.383 -18.757 1.00 0.00 N ATOM 134 CA THR A 10 21.044 9.757 -19.898 1.00 0.00 C ATOM 135 C THR A 10 21.060 10.697 -21.109 1.00 0.00 C ATOM 136 O THR A 10 20.346 11.698 -21.126 1.00 0.00 O ATOM 137 CB THR A 10 20.378 8.415 -20.258 1.00 0.00 C ATOM 138 OG1 THR A 10 21.153 7.743 -21.230 1.00 0.00 O ATOM 139 CG2 THR A 10 18.977 8.525 -20.838 1.00 0.00 C ATOM 0 H THR A 10 19.589 11.003 -19.048 1.00 0.00 H new ATOM 0 HA THR A 10 22.077 9.565 -19.608 1.00 0.00 H new ATOM 0 HB THR A 10 20.311 7.884 -19.309 1.00 0.00 H new ATOM 0 HG1 THR A 10 21.177 6.785 -21.024 1.00 0.00 H new ATOM 0 HG21 THR A 10 18.595 7.528 -21.058 1.00 0.00 H new ATOM 0 HG22 THR A 10 18.322 9.013 -20.117 1.00 0.00 H new ATOM 0 HG23 THR A 10 19.008 9.112 -21.756 1.00 0.00 H new ATOM 147 N MET A 11 21.841 10.354 -22.138 1.00 0.00 N ATOM 148 CA MET A 11 21.822 11.020 -23.453 1.00 0.00 C ATOM 149 C MET A 11 21.384 10.082 -24.599 1.00 0.00 C ATOM 150 O MET A 11 21.171 10.558 -25.716 1.00 0.00 O ATOM 151 CB MET A 11 23.197 11.650 -23.737 1.00 0.00 C ATOM 152 CG MET A 11 23.663 12.578 -22.606 1.00 0.00 C ATOM 153 SD MET A 11 25.102 13.613 -22.992 1.00 0.00 S ATOM 154 CE MET A 11 24.324 14.885 -24.023 1.00 0.00 C ATOM 0 H MET A 11 22.518 9.593 -22.084 1.00 0.00 H new ATOM 0 HA MET A 11 21.068 11.806 -23.411 1.00 0.00 H new ATOM 0 HB2 MET A 11 23.933 10.859 -23.880 1.00 0.00 H new ATOM 0 HB3 MET A 11 23.149 12.214 -24.669 1.00 0.00 H new ATOM 0 HG2 MET A 11 22.834 13.228 -22.327 1.00 0.00 H new ATOM 0 HG3 MET A 11 23.898 11.969 -21.733 1.00 0.00 H new ATOM 0 HE1 MET A 11 25.078 15.604 -24.345 1.00 0.00 H new ATOM 0 HE2 MET A 11 23.871 14.418 -24.898 1.00 0.00 H new ATOM 0 HE3 MET A 11 23.554 15.399 -23.447 1.00 0.00 H new ATOM 164 N TYR A 12 21.217 8.771 -24.333 1.00 0.00 N ATOM 165 CA TYR A 12 20.887 7.757 -25.360 1.00 0.00 C ATOM 166 C TYR A 12 20.027 6.578 -24.859 1.00 0.00 C ATOM 167 O TYR A 12 19.227 6.050 -25.635 1.00 0.00 O ATOM 168 CB TYR A 12 22.180 7.190 -25.978 1.00 0.00 C ATOM 169 CG TYR A 12 23.099 8.205 -26.638 1.00 0.00 C ATOM 170 CD1 TYR A 12 22.812 8.676 -27.935 1.00 0.00 C ATOM 171 CD2 TYR A 12 24.239 8.675 -25.955 1.00 0.00 C ATOM 172 CE1 TYR A 12 23.654 9.627 -28.543 1.00 0.00 C ATOM 173 CE2 TYR A 12 25.082 9.629 -26.557 1.00 0.00 C ATOM 174 CZ TYR A 12 24.787 10.110 -27.853 1.00 0.00 C ATOM 175 OH TYR A 12 25.595 11.031 -28.445 1.00 0.00 O ATOM 0 H TYR A 12 21.307 8.382 -23.395 1.00 0.00 H new ATOM 0 HA TYR A 12 20.285 8.290 -26.096 1.00 0.00 H new ATOM 0 HB2 TYR A 12 22.739 6.677 -25.196 1.00 0.00 H new ATOM 0 HB3 TYR A 12 21.907 6.439 -26.720 1.00 0.00 H new ATOM 0 HD1 TYR A 12 21.945 8.307 -28.463 1.00 0.00 H new ATOM 0 HD2 TYR A 12 24.467 8.302 -24.967 1.00 0.00 H new ATOM 0 HE1 TYR A 12 23.433 9.987 -29.537 1.00 0.00 H new ATOM 0 HE2 TYR A 12 25.952 9.992 -26.030 1.00 0.00 H new ATOM 0 HH TYR A 12 26.329 11.260 -27.838 1.00 0.00 H new ATOM 185 N GLY A 13 20.162 6.157 -23.588 1.00 0.00 N ATOM 186 CA GLY A 13 19.285 5.138 -22.975 1.00 0.00 C ATOM 187 C GLY A 13 19.952 4.078 -22.083 1.00 0.00 C ATOM 188 O GLY A 13 19.244 3.231 -21.536 1.00 0.00 O ATOM 0 H GLY A 13 20.880 6.512 -22.957 1.00 0.00 H new ATOM 0 HA2 GLY A 13 18.532 5.655 -22.379 1.00 0.00 H new ATOM 0 HA3 GLY A 13 18.757 4.621 -23.776 1.00 0.00 H new ATOM 192 N ASN A 14 21.282 4.082 -21.912 1.00 0.00 N ATOM 193 CA ASN A 14 21.992 2.968 -21.255 1.00 0.00 C ATOM 194 C ASN A 14 21.596 2.783 -19.779 1.00 0.00 C ATOM 195 O ASN A 14 21.349 1.664 -19.332 1.00 0.00 O ATOM 196 CB ASN A 14 23.516 3.150 -21.429 1.00 0.00 C ATOM 197 CG ASN A 14 24.207 1.807 -21.595 1.00 0.00 C ATOM 198 OD1 ASN A 14 24.792 1.243 -20.683 1.00 0.00 O ATOM 199 ND2 ASN A 14 24.143 1.258 -22.788 1.00 0.00 N ATOM 0 H ASN A 14 21.890 4.842 -22.218 1.00 0.00 H new ATOM 0 HA ASN A 14 21.687 2.044 -21.747 1.00 0.00 H new ATOM 0 HB2 ASN A 14 23.715 3.776 -22.299 1.00 0.00 H new ATOM 0 HB3 ASN A 14 23.926 3.670 -20.563 1.00 0.00 H new ATOM 0 HD21 ASN A 14 24.584 0.354 -22.958 1.00 0.00 H new ATOM 0 HD22 ASN A 14 23.652 1.736 -23.544 1.00 0.00 H new ATOM 206 N SER A 15 21.463 3.893 -19.039 1.00 0.00 N ATOM 207 CA SER A 15 20.928 3.893 -17.666 1.00 0.00 C ATOM 208 C SER A 15 19.391 3.789 -17.622 1.00 0.00 C ATOM 209 O SER A 15 18.844 3.137 -16.734 1.00 0.00 O ATOM 210 CB SER A 15 21.433 5.141 -16.934 1.00 0.00 C ATOM 211 OG SER A 15 21.002 6.294 -17.624 1.00 0.00 O ATOM 0 H SER A 15 21.724 4.820 -19.375 1.00 0.00 H new ATOM 0 HA SER A 15 21.292 3.000 -17.157 1.00 0.00 H new ATOM 0 HB2 SER A 15 21.057 5.154 -15.911 1.00 0.00 H new ATOM 0 HB3 SER A 15 22.521 5.125 -16.873 1.00 0.00 H new ATOM 0 HG SER A 15 21.781 6.784 -17.960 1.00 0.00 H new ATOM 217 N LEU A 16 18.679 4.335 -18.616 1.00 0.00 N ATOM 218 CA LEU A 16 17.216 4.218 -18.736 1.00 0.00 C ATOM 219 C LEU A 16 16.731 2.761 -18.795 1.00 0.00 C ATOM 220 O LEU A 16 15.743 2.425 -18.148 1.00 0.00 O ATOM 221 CB LEU A 16 16.738 5.008 -19.967 1.00 0.00 C ATOM 222 CG LEU A 16 15.231 4.905 -20.274 1.00 0.00 C ATOM 223 CD1 LEU A 16 14.346 5.390 -19.125 1.00 0.00 C ATOM 224 CD2 LEU A 16 14.927 5.741 -21.515 1.00 0.00 C ATOM 0 H LEU A 16 19.105 4.876 -19.368 1.00 0.00 H new ATOM 0 HA LEU A 16 16.778 4.642 -17.833 1.00 0.00 H new ATOM 0 HB2 LEU A 16 16.992 6.058 -19.824 1.00 0.00 H new ATOM 0 HB3 LEU A 16 17.294 4.661 -20.838 1.00 0.00 H new ATOM 0 HG LEU A 16 15.005 3.850 -20.430 1.00 0.00 H new ATOM 0 HD11 LEU A 16 13.298 5.291 -19.406 1.00 0.00 H new ATOM 0 HD12 LEU A 16 14.542 4.790 -18.237 1.00 0.00 H new ATOM 0 HD13 LEU A 16 14.567 6.436 -18.912 1.00 0.00 H new ATOM 0 HD21 LEU A 16 13.863 5.678 -21.745 1.00 0.00 H new ATOM 0 HD22 LEU A 16 15.197 6.780 -21.328 1.00 0.00 H new ATOM 0 HD23 LEU A 16 15.504 5.362 -22.359 1.00 0.00 H new ATOM 236 N LEU A 17 17.441 1.881 -19.509 1.00 0.00 N ATOM 237 CA LEU A 17 17.121 0.449 -19.573 1.00 0.00 C ATOM 238 C LEU A 17 17.022 -0.168 -18.170 1.00 0.00 C ATOM 239 O LEU A 17 16.067 -0.882 -17.859 1.00 0.00 O ATOM 240 CB LEU A 17 18.180 -0.233 -20.463 1.00 0.00 C ATOM 241 CG LEU A 17 17.985 -1.746 -20.699 1.00 0.00 C ATOM 242 CD1 LEU A 17 18.700 -2.152 -21.991 1.00 0.00 C ATOM 243 CD2 LEU A 17 18.574 -2.622 -19.583 1.00 0.00 C ATOM 0 H LEU A 17 18.258 2.142 -20.062 1.00 0.00 H new ATOM 0 HA LEU A 17 16.138 0.296 -20.018 1.00 0.00 H new ATOM 0 HB2 LEU A 17 18.191 0.268 -21.431 1.00 0.00 H new ATOM 0 HB3 LEU A 17 19.160 -0.078 -20.012 1.00 0.00 H new ATOM 0 HG LEU A 17 16.907 -1.906 -20.738 1.00 0.00 H new ATOM 0 HD11 LEU A 17 18.565 -3.220 -22.161 1.00 0.00 H new ATOM 0 HD12 LEU A 17 18.281 -1.595 -22.829 1.00 0.00 H new ATOM 0 HD13 LEU A 17 19.764 -1.930 -21.903 1.00 0.00 H new ATOM 0 HD21 LEU A 17 18.400 -3.673 -19.815 1.00 0.00 H new ATOM 0 HD22 LEU A 17 19.646 -2.440 -19.505 1.00 0.00 H new ATOM 0 HD23 LEU A 17 18.094 -2.376 -18.636 1.00 0.00 H new ATOM 255 N VAL A 18 17.982 0.154 -17.298 1.00 0.00 N ATOM 256 CA VAL A 18 17.954 -0.267 -15.892 1.00 0.00 C ATOM 257 C VAL A 18 16.794 0.373 -15.130 1.00 0.00 C ATOM 258 O VAL A 18 16.164 -0.296 -14.317 1.00 0.00 O ATOM 259 CB VAL A 18 19.286 0.050 -15.199 1.00 0.00 C ATOM 260 CG1 VAL A 18 19.222 -0.231 -13.698 1.00 0.00 C ATOM 261 CG2 VAL A 18 20.414 -0.794 -15.800 1.00 0.00 C ATOM 0 H VAL A 18 18.799 0.712 -17.545 1.00 0.00 H new ATOM 0 HA VAL A 18 17.802 -1.346 -15.883 1.00 0.00 H new ATOM 0 HB VAL A 18 19.481 1.111 -15.355 1.00 0.00 H new ATOM 0 HG11 VAL A 18 20.183 0.005 -13.242 1.00 0.00 H new ATOM 0 HG12 VAL A 18 18.445 0.385 -13.245 1.00 0.00 H new ATOM 0 HG13 VAL A 18 18.992 -1.284 -13.534 1.00 0.00 H new ATOM 0 HG21 VAL A 18 21.352 -0.558 -15.298 1.00 0.00 H new ATOM 0 HG22 VAL A 18 20.188 -1.852 -15.667 1.00 0.00 H new ATOM 0 HG23 VAL A 18 20.506 -0.574 -16.864 1.00 0.00 H new ATOM 271 N ALA A 19 16.478 1.646 -15.375 1.00 0.00 N ATOM 272 CA ALA A 19 15.357 2.313 -14.712 1.00 0.00 C ATOM 273 C ALA A 19 13.988 1.698 -15.069 1.00 0.00 C ATOM 274 O ALA A 19 13.130 1.563 -14.194 1.00 0.00 O ATOM 275 CB ALA A 19 15.406 3.799 -15.063 1.00 0.00 C ATOM 0 H ALA A 19 16.986 2.238 -16.032 1.00 0.00 H new ATOM 0 HA ALA A 19 15.462 2.174 -13.636 1.00 0.00 H new ATOM 0 HB1 ALA A 19 14.577 4.315 -14.578 1.00 0.00 H new ATOM 0 HB2 ALA A 19 16.349 4.223 -14.719 1.00 0.00 H new ATOM 0 HB3 ALA A 19 15.326 3.921 -16.143 1.00 0.00 H new ATOM 281 N GLU A 20 13.785 1.271 -16.321 1.00 0.00 N ATOM 282 CA GLU A 20 12.591 0.516 -16.735 1.00 0.00 C ATOM 283 C GLU A 20 12.493 -0.843 -16.016 1.00 0.00 C ATOM 284 O GLU A 20 11.429 -1.200 -15.504 1.00 0.00 O ATOM 285 CB GLU A 20 12.581 0.301 -18.258 1.00 0.00 C ATOM 286 CG GLU A 20 12.432 1.604 -19.055 1.00 0.00 C ATOM 287 CD GLU A 20 12.263 1.310 -20.557 1.00 0.00 C ATOM 288 OE1 GLU A 20 13.282 1.123 -21.269 1.00 0.00 O ATOM 289 OE2 GLU A 20 11.107 1.263 -21.044 1.00 0.00 O1- ATOM 0 H GLU A 20 14.445 1.439 -17.080 1.00 0.00 H new ATOM 0 HA GLU A 20 11.724 1.112 -16.451 1.00 0.00 H new ATOM 0 HB2 GLU A 20 13.506 -0.194 -18.554 1.00 0.00 H new ATOM 0 HB3 GLU A 20 11.763 -0.371 -18.518 1.00 0.00 H new ATOM 0 HG2 GLU A 20 11.570 2.162 -18.690 1.00 0.00 H new ATOM 0 HG3 GLU A 20 13.308 2.233 -18.899 1.00 0.00 H new ATOM 296 N GLU A 21 13.605 -1.582 -15.914 1.00 0.00 N ATOM 297 CA GLU A 21 13.679 -2.818 -15.120 1.00 0.00 C ATOM 298 C GLU A 21 13.426 -2.561 -13.628 1.00 0.00 C ATOM 299 O GLU A 21 12.702 -3.329 -12.996 1.00 0.00 O ATOM 300 CB GLU A 21 15.045 -3.496 -15.310 1.00 0.00 C ATOM 301 CG GLU A 21 15.211 -4.160 -16.682 1.00 0.00 C ATOM 302 CD GLU A 21 14.341 -5.426 -16.796 1.00 0.00 C ATOM 303 OE1 GLU A 21 14.701 -6.471 -16.199 1.00 0.00 O ATOM 304 OE2 GLU A 21 13.282 -5.378 -17.471 1.00 0.00 O1- ATOM 0 H GLU A 21 14.480 -1.341 -16.379 1.00 0.00 H new ATOM 0 HA GLU A 21 12.892 -3.480 -15.481 1.00 0.00 H new ATOM 0 HB2 GLU A 21 15.832 -2.754 -15.176 1.00 0.00 H new ATOM 0 HB3 GLU A 21 15.180 -4.248 -14.532 1.00 0.00 H new ATOM 0 HG2 GLU A 21 14.936 -3.455 -17.466 1.00 0.00 H new ATOM 0 HG3 GLU A 21 16.258 -4.419 -16.839 1.00 0.00 H new ATOM 311 N ALA A 22 13.960 -1.475 -13.061 1.00 0.00 N ATOM 312 CA ALA A 22 13.722 -1.096 -11.672 1.00 0.00 C ATOM 313 C ALA A 22 12.231 -0.842 -11.397 1.00 0.00 C ATOM 314 O ALA A 22 11.684 -1.372 -10.428 1.00 0.00 O ATOM 315 CB ALA A 22 14.571 0.133 -11.323 1.00 0.00 C ATOM 0 H ALA A 22 14.574 -0.831 -13.560 1.00 0.00 H new ATOM 0 HA ALA A 22 14.020 -1.926 -11.031 1.00 0.00 H new ATOM 0 HB1 ALA A 22 14.393 0.416 -10.285 1.00 0.00 H new ATOM 0 HB2 ALA A 22 15.626 -0.103 -11.459 1.00 0.00 H new ATOM 0 HB3 ALA A 22 14.298 0.961 -11.977 1.00 0.00 H new ATOM 321 N GLU A 23 11.556 -0.089 -12.274 1.00 0.00 N ATOM 322 CA GLU A 23 10.109 0.136 -12.187 1.00 0.00 C ATOM 323 C GLU A 23 9.331 -1.192 -12.184 1.00 0.00 C ATOM 324 O GLU A 23 8.485 -1.408 -11.313 1.00 0.00 O ATOM 325 CB GLU A 23 9.648 1.043 -13.347 1.00 0.00 C ATOM 326 CG GLU A 23 8.301 1.708 -13.045 1.00 0.00 C ATOM 327 CD GLU A 23 7.542 2.126 -14.316 1.00 0.00 C ATOM 328 OE1 GLU A 23 7.171 1.235 -15.122 1.00 0.00 O1- ATOM 329 OE2 GLU A 23 7.287 3.340 -14.494 1.00 0.00 O ATOM 0 H GLU A 23 11.998 0.381 -13.064 1.00 0.00 H new ATOM 0 HA GLU A 23 9.896 0.636 -11.242 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.400 1.811 -13.530 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.566 0.453 -14.260 1.00 0.00 H new ATOM 0 HG2 GLU A 23 7.683 1.020 -12.468 1.00 0.00 H new ATOM 0 HG3 GLU A 23 8.467 2.586 -12.421 1.00 0.00 H new ATOM 336 N ALA A 24 9.666 -2.110 -13.100 1.00 0.00 N ATOM 337 CA ALA A 24 9.059 -3.439 -13.180 1.00 0.00 C ATOM 338 C ALA A 24 9.298 -4.285 -11.914 1.00 0.00 C ATOM 339 O ALA A 24 8.344 -4.836 -11.365 1.00 0.00 O ATOM 340 CB ALA A 24 9.579 -4.139 -14.442 1.00 0.00 C ATOM 0 H ALA A 24 10.376 -1.945 -13.814 1.00 0.00 H new ATOM 0 HA ALA A 24 7.977 -3.324 -13.244 1.00 0.00 H new ATOM 0 HB1 ALA A 24 9.135 -5.132 -14.516 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.308 -3.554 -15.321 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.664 -4.229 -14.387 1.00 0.00 H new ATOM 346 N ILE A 25 10.532 -4.355 -11.402 1.00 0.00 N ATOM 347 CA ILE A 25 10.885 -5.081 -10.174 1.00 0.00 C ATOM 348 C ILE A 25 10.118 -4.562 -8.953 1.00 0.00 C ATOM 349 O ILE A 25 9.570 -5.357 -8.190 1.00 0.00 O ATOM 350 CB ILE A 25 12.415 -4.982 -9.957 1.00 0.00 C ATOM 351 CG1 ILE A 25 13.140 -5.875 -10.990 1.00 0.00 C ATOM 352 CG2 ILE A 25 12.818 -5.392 -8.531 1.00 0.00 C ATOM 353 CD1 ILE A 25 14.624 -5.534 -11.150 1.00 0.00 C ATOM 0 H ILE A 25 11.332 -3.898 -11.839 1.00 0.00 H new ATOM 0 HA ILE A 25 10.597 -6.126 -10.292 1.00 0.00 H new ATOM 0 HB ILE A 25 12.709 -3.941 -10.094 1.00 0.00 H new ATOM 0 HG12 ILE A 25 13.045 -6.918 -10.689 1.00 0.00 H new ATOM 0 HG13 ILE A 25 12.645 -5.776 -11.956 1.00 0.00 H new ATOM 0 HG21 ILE A 25 13.899 -5.309 -8.420 1.00 0.00 H new ATOM 0 HG22 ILE A 25 12.328 -4.736 -7.812 1.00 0.00 H new ATOM 0 HG23 ILE A 25 12.513 -6.423 -8.349 1.00 0.00 H new ATOM 0 HD11 ILE A 25 15.072 -6.198 -11.889 1.00 0.00 H new ATOM 0 HD12 ILE A 25 14.726 -4.501 -11.481 1.00 0.00 H new ATOM 0 HD13 ILE A 25 15.132 -5.661 -10.194 1.00 0.00 H new ATOM 365 N LEU A 26 10.048 -3.242 -8.767 1.00 0.00 N ATOM 366 CA LEU A 26 9.419 -2.641 -7.587 1.00 0.00 C ATOM 367 C LEU A 26 7.902 -2.855 -7.643 1.00 0.00 C ATOM 368 O LEU A 26 7.297 -3.272 -6.655 1.00 0.00 O ATOM 369 CB LEU A 26 9.829 -1.155 -7.516 1.00 0.00 C ATOM 370 CG LEU A 26 11.295 -0.986 -7.056 1.00 0.00 C ATOM 371 CD1 LEU A 26 11.864 0.362 -7.490 1.00 0.00 C ATOM 372 CD2 LEU A 26 11.423 -1.101 -5.536 1.00 0.00 C ATOM 0 H LEU A 26 10.424 -2.561 -9.427 1.00 0.00 H new ATOM 0 HA LEU A 26 9.760 -3.119 -6.668 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.700 -0.695 -8.496 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.169 -0.628 -6.827 1.00 0.00 H new ATOM 0 HG LEU A 26 11.860 -1.789 -7.529 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.896 0.448 -7.150 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.832 0.437 -8.577 1.00 0.00 H new ATOM 0 HD13 LEU A 26 11.270 1.165 -7.053 1.00 0.00 H new ATOM 0 HD21 LEU A 26 12.467 -0.977 -5.248 1.00 0.00 H new ATOM 0 HD22 LEU A 26 10.821 -0.326 -5.061 1.00 0.00 H new ATOM 0 HD23 LEU A 26 11.072 -2.082 -5.214 1.00 0.00 H new ATOM 384 N THR A 27 7.331 -2.702 -8.840 1.00 0.00 N ATOM 385 CA THR A 27 5.942 -3.063 -9.161 1.00 0.00 C ATOM 386 C THR A 27 5.639 -4.535 -8.852 1.00 0.00 C ATOM 387 O THR A 27 4.626 -4.830 -8.218 1.00 0.00 O ATOM 388 CB THR A 27 5.664 -2.749 -10.641 1.00 0.00 C ATOM 389 OG1 THR A 27 5.852 -1.376 -10.902 1.00 0.00 O ATOM 390 CG2 THR A 27 4.246 -3.090 -11.064 1.00 0.00 C ATOM 0 H THR A 27 7.834 -2.313 -9.638 1.00 0.00 H new ATOM 0 HA THR A 27 5.282 -2.469 -8.529 1.00 0.00 H new ATOM 0 HB THR A 27 6.365 -3.365 -11.205 1.00 0.00 H new ATOM 0 HG1 THR A 27 6.762 -1.228 -11.234 1.00 0.00 H new ATOM 0 HG21 THR A 27 4.112 -2.846 -12.118 1.00 0.00 H new ATOM 0 HG22 THR A 27 4.067 -4.155 -10.913 1.00 0.00 H new ATOM 0 HG23 THR A 27 3.540 -2.515 -10.466 1.00 0.00 H new ATOM 398 N ALA A 28 6.515 -5.463 -9.259 1.00 0.00 N ATOM 399 CA ALA A 28 6.360 -6.902 -9.033 1.00 0.00 C ATOM 400 C ALA A 28 6.443 -7.289 -7.543 1.00 0.00 C ATOM 401 O ALA A 28 5.676 -8.138 -7.083 1.00 0.00 O ATOM 402 CB ALA A 28 7.425 -7.647 -9.850 1.00 0.00 C ATOM 0 H ALA A 28 7.369 -5.227 -9.765 1.00 0.00 H new ATOM 0 HA ALA A 28 5.361 -7.190 -9.361 1.00 0.00 H new ATOM 0 HB1 ALA A 28 7.321 -8.720 -9.691 1.00 0.00 H new ATOM 0 HB2 ALA A 28 7.294 -7.423 -10.909 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.417 -7.328 -9.531 1.00 0.00 H new ATOM 408 N GLN A 29 7.349 -6.658 -6.784 1.00 0.00 N ATOM 409 CA GLN A 29 7.468 -6.857 -5.333 1.00 0.00 C ATOM 410 C GLN A 29 6.266 -6.288 -4.555 1.00 0.00 C ATOM 411 O GLN A 29 5.893 -6.853 -3.524 1.00 0.00 O ATOM 412 CB GLN A 29 8.796 -6.266 -4.835 1.00 0.00 C ATOM 413 CG GLN A 29 9.983 -7.129 -5.301 1.00 0.00 C ATOM 414 CD GLN A 29 11.329 -6.628 -4.777 1.00 0.00 C ATOM 415 OE1 GLN A 29 11.660 -5.452 -4.824 1.00 0.00 O ATOM 416 NE2 GLN A 29 12.161 -7.501 -4.252 1.00 0.00 N ATOM 0 H GLN A 29 8.023 -5.992 -7.161 1.00 0.00 H new ATOM 0 HA GLN A 29 7.464 -7.930 -5.142 1.00 0.00 H new ATOM 0 HB2 GLN A 29 8.910 -5.249 -5.209 1.00 0.00 H new ATOM 0 HB3 GLN A 29 8.788 -6.206 -3.747 1.00 0.00 H new ATOM 0 HG2 GLN A 29 9.830 -8.156 -4.970 1.00 0.00 H new ATOM 0 HG3 GLN A 29 10.007 -7.146 -6.391 1.00 0.00 H new ATOM 0 HE21 GLN A 29 11.903 -8.487 -4.204 1.00 0.00 H new ATOM 0 HE22 GLN A 29 13.064 -7.192 -3.893 1.00 0.00 H new ATOM 425 N GLY A 30 5.635 -5.217 -5.057 1.00 0.00 N ATOM 426 CA GLY A 30 4.356 -4.684 -4.560 1.00 0.00 C ATOM 427 C GLY A 30 4.299 -3.161 -4.379 1.00 0.00 C ATOM 428 O GLY A 30 3.231 -2.622 -4.081 1.00 0.00 O ATOM 0 H GLY A 30 6.009 -4.682 -5.841 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.566 -4.980 -5.251 1.00 0.00 H new ATOM 0 HA3 GLY A 30 4.134 -5.155 -3.602 1.00 0.00 H new ATOM 432 N HIS A 31 5.423 -2.456 -4.546 1.00 0.00 N ATOM 433 CA HIS A 31 5.519 -0.994 -4.419 1.00 0.00 C ATOM 434 C HIS A 31 5.000 -0.296 -5.683 1.00 0.00 C ATOM 435 O HIS A 31 5.231 -0.769 -6.800 1.00 0.00 O ATOM 436 CB HIS A 31 6.987 -0.598 -4.190 1.00 0.00 C ATOM 437 CG HIS A 31 7.644 -1.332 -3.055 1.00 0.00 C ATOM 438 ND1 HIS A 31 7.254 -1.267 -1.716 1.00 0.00 N ATOM 439 CD2 HIS A 31 8.691 -2.200 -3.173 1.00 0.00 C ATOM 440 CE1 HIS A 31 8.084 -2.093 -1.056 1.00 0.00 C ATOM 441 NE2 HIS A 31 8.963 -2.654 -1.903 1.00 0.00 N ATOM 0 H HIS A 31 6.314 -2.895 -4.779 1.00 0.00 H new ATOM 0 HA HIS A 31 4.907 -0.681 -3.573 1.00 0.00 H new ATOM 0 HB2 HIS A 31 7.550 -0.783 -5.105 1.00 0.00 H new ATOM 0 HB3 HIS A 31 7.038 0.473 -3.996 1.00 0.00 H new ATOM 0 HD1 HIS A 31 6.497 -0.709 -1.321 1.00 0.00 H new ATOM 0 HD2 HIS A 31 9.204 -2.476 -4.083 1.00 0.00 H new ATOM 0 HE1 HIS A 31 8.049 -2.280 0.007 1.00 0.00 H new ATOM 0 HE2 HIS A 31 9.705 -3.305 -1.648 1.00 0.00 H new ATOM 449 N LYS A 32 4.342 0.860 -5.536 1.00 0.00 N ATOM 450 CA LYS A 32 4.003 1.720 -6.680 1.00 0.00 C ATOM 451 C LYS A 32 5.300 2.329 -7.219 1.00 0.00 C ATOM 452 O LYS A 32 6.114 2.809 -6.434 1.00 0.00 O ATOM 453 CB LYS A 32 2.994 2.792 -6.234 1.00 0.00 C ATOM 454 CG LYS A 32 2.442 3.618 -7.412 1.00 0.00 C ATOM 455 CD LYS A 32 1.519 4.756 -6.949 1.00 0.00 C ATOM 456 CE LYS A 32 0.217 4.240 -6.311 1.00 0.00 C ATOM 457 NZ LYS A 32 -0.562 5.355 -5.708 1.00 0.00 N1+ ATOM 0 H LYS A 32 4.032 1.224 -4.635 1.00 0.00 H new ATOM 0 HA LYS A 32 3.531 1.150 -7.480 1.00 0.00 H new ATOM 0 HB2 LYS A 32 2.166 2.311 -5.714 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.474 3.461 -5.520 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.273 4.036 -7.980 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.894 2.961 -8.087 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.050 5.379 -6.229 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.275 5.390 -7.801 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -0.387 3.737 -7.066 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.452 3.500 -5.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.458 4.987 -5.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.012 5.786 -4.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.761 6.072 -6.434 1.00 0.00 H new ATOM 471 N ALA A 33 5.505 2.340 -8.533 1.00 0.00 N ATOM 472 CA ALA A 33 6.738 2.856 -9.133 1.00 0.00 C ATOM 473 C ALA A 33 6.480 3.581 -10.463 1.00 0.00 C ATOM 474 O ALA A 33 5.650 3.142 -11.267 1.00 0.00 O ATOM 475 CB ALA A 33 7.708 1.684 -9.312 1.00 0.00 C ATOM 0 H ALA A 33 4.827 1.994 -9.212 1.00 0.00 H new ATOM 0 HA ALA A 33 7.174 3.603 -8.470 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.635 2.044 -9.758 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.922 1.237 -8.341 1.00 0.00 H new ATOM 0 HB3 ALA A 33 7.258 0.936 -9.965 1.00 0.00 H new ATOM 481 N THR A 34 7.228 4.665 -10.697 1.00 0.00 N ATOM 482 CA THR A 34 7.099 5.513 -11.891 1.00 0.00 C ATOM 483 C THR A 34 8.477 5.969 -12.363 1.00 0.00 C ATOM 484 O THR A 34 9.168 6.695 -11.645 1.00 0.00 O ATOM 485 CB THR A 34 6.234 6.755 -11.613 1.00 0.00 C ATOM 486 OG1 THR A 34 4.979 6.393 -11.071 1.00 0.00 O ATOM 487 CG2 THR A 34 5.938 7.540 -12.892 1.00 0.00 C ATOM 0 H THR A 34 7.952 4.984 -10.053 1.00 0.00 H new ATOM 0 HA THR A 34 6.615 4.915 -12.663 1.00 0.00 H new ATOM 0 HB THR A 34 6.807 7.363 -10.913 1.00 0.00 H new ATOM 0 HG1 THR A 34 4.852 6.844 -10.210 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.325 8.409 -12.652 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.875 7.870 -13.342 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.403 6.902 -13.595 1.00 0.00 H new ATOM 495 N VAL A 35 8.894 5.533 -13.553 1.00 0.00 N ATOM 496 CA VAL A 35 10.116 6.007 -14.218 1.00 0.00 C ATOM 497 C VAL A 35 9.899 7.353 -14.929 1.00 0.00 C ATOM 498 O VAL A 35 8.804 7.638 -15.422 1.00 0.00 O ATOM 499 CB VAL A 35 10.696 4.910 -15.136 1.00 0.00 C ATOM 500 CG1 VAL A 35 9.864 4.633 -16.391 1.00 0.00 C ATOM 501 CG2 VAL A 35 12.128 5.219 -15.572 1.00 0.00 C ATOM 0 H VAL A 35 8.387 4.831 -14.092 1.00 0.00 H new ATOM 0 HA VAL A 35 10.869 6.206 -13.455 1.00 0.00 H new ATOM 0 HB VAL A 35 10.674 4.016 -14.513 1.00 0.00 H new ATOM 0 HG11 VAL A 35 10.342 3.850 -16.979 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.864 4.309 -16.101 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.792 5.542 -16.988 1.00 0.00 H new ATOM 0 HG21 VAL A 35 12.493 4.419 -16.216 1.00 0.00 H new ATOM 0 HG22 VAL A 35 12.146 6.162 -16.119 1.00 0.00 H new ATOM 0 HG23 VAL A 35 12.767 5.297 -14.693 1.00 0.00 H new ATOM 511 N PHE A 36 10.952 8.174 -15.008 1.00 0.00 N ATOM 512 CA PHE A 36 10.938 9.531 -15.556 1.00 0.00 C ATOM 513 C PHE A 36 12.192 9.745 -16.414 1.00 0.00 C ATOM 514 O PHE A 36 13.302 9.869 -15.897 1.00 0.00 O ATOM 515 CB PHE A 36 10.860 10.569 -14.423 1.00 0.00 C ATOM 516 CG PHE A 36 9.612 10.518 -13.560 1.00 0.00 C ATOM 517 CD1 PHE A 36 8.399 11.039 -14.053 1.00 0.00 C ATOM 518 CD2 PHE A 36 9.665 9.994 -12.254 1.00 0.00 C ATOM 519 CE1 PHE A 36 7.250 11.042 -13.242 1.00 0.00 C ATOM 520 CE2 PHE A 36 8.518 10.008 -11.439 1.00 0.00 C ATOM 521 CZ PHE A 36 7.310 10.531 -11.933 1.00 0.00 C ATOM 0 H PHE A 36 11.876 7.897 -14.677 1.00 0.00 H new ATOM 0 HA PHE A 36 10.056 9.660 -16.183 1.00 0.00 H new ATOM 0 HB2 PHE A 36 11.729 10.440 -13.778 1.00 0.00 H new ATOM 0 HB3 PHE A 36 10.934 11.564 -14.862 1.00 0.00 H new ATOM 0 HD1 PHE A 36 8.352 11.437 -15.056 1.00 0.00 H new ATOM 0 HD2 PHE A 36 10.589 9.580 -11.877 1.00 0.00 H new ATOM 0 HE1 PHE A 36 6.321 11.437 -13.625 1.00 0.00 H new ATOM 0 HE2 PHE A 36 8.566 9.617 -10.433 1.00 0.00 H new ATOM 0 HZ PHE A 36 6.429 10.540 -11.308 1.00 0.00 H new ATOM 531 N GLU A 37 12.005 9.732 -17.735 1.00 0.00 N ATOM 532 CA GLU A 37 13.071 9.748 -18.751 1.00 0.00 C ATOM 533 C GLU A 37 13.825 11.091 -18.868 1.00 0.00 C ATOM 534 O GLU A 37 15.018 11.114 -19.179 1.00 0.00 O ATOM 535 CB GLU A 37 12.413 9.454 -20.105 1.00 0.00 C ATOM 536 CG GLU A 37 11.899 8.018 -20.254 1.00 0.00 C ATOM 537 CD GLU A 37 11.085 7.859 -21.554 1.00 0.00 C ATOM 538 OE1 GLU A 37 11.689 7.655 -22.635 1.00 0.00 O1- ATOM 539 OE2 GLU A 37 9.832 7.936 -21.504 1.00 0.00 O ATOM 0 H GLU A 37 11.072 9.709 -18.147 1.00 0.00 H new ATOM 0 HA GLU A 37 13.811 9.006 -18.452 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.581 10.143 -20.249 1.00 0.00 H new ATOM 0 HB3 GLU A 37 13.134 9.654 -20.898 1.00 0.00 H new ATOM 0 HG2 GLU A 37 12.740 7.325 -20.259 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.278 7.759 -19.397 1.00 0.00 H new ATOM 546 N ASP A 38 13.123 12.205 -18.637 1.00 0.00 N ATOM 547 CA ASP A 38 13.605 13.591 -18.788 1.00 0.00 C ATOM 548 C ASP A 38 12.945 14.488 -17.707 1.00 0.00 C ATOM 549 O ASP A 38 12.120 15.354 -18.026 1.00 0.00 O ATOM 550 CB ASP A 38 13.322 14.048 -20.230 1.00 0.00 C ATOM 551 CG ASP A 38 13.793 15.482 -20.529 1.00 0.00 C ATOM 552 OD1 ASP A 38 14.917 15.858 -20.121 1.00 0.00 O1- ATOM 553 OD2 ASP A 38 13.064 16.219 -21.238 1.00 0.00 O ATOM 0 H ASP A 38 12.153 12.168 -18.323 1.00 0.00 H new ATOM 0 HA ASP A 38 14.681 13.665 -18.629 1.00 0.00 H new ATOM 0 HB2 ASP A 38 13.812 13.363 -20.922 1.00 0.00 H new ATOM 0 HB3 ASP A 38 12.251 13.980 -20.419 1.00 0.00 H new ATOM 558 N PRO A 39 13.209 14.216 -16.412 1.00 0.00 N ATOM 559 CA PRO A 39 12.494 14.820 -15.290 1.00 0.00 C ATOM 560 C PRO A 39 12.796 16.303 -15.030 1.00 0.00 C ATOM 561 O PRO A 39 13.855 16.844 -15.365 1.00 0.00 O ATOM 562 CB PRO A 39 12.895 13.985 -14.072 1.00 0.00 C ATOM 563 CG PRO A 39 14.305 13.512 -14.418 1.00 0.00 C ATOM 564 CD PRO A 39 14.217 13.284 -15.921 1.00 0.00 C ATOM 0 HA PRO A 39 11.427 14.812 -15.512 1.00 0.00 H new ATOM 0 HB2 PRO A 39 12.883 14.577 -13.157 1.00 0.00 H new ATOM 0 HB3 PRO A 39 12.216 13.146 -13.918 1.00 0.00 H new ATOM 0 HG2 PRO A 39 15.057 14.259 -14.164 1.00 0.00 H new ATOM 0 HG3 PRO A 39 14.569 12.599 -13.884 1.00 0.00 H new ATOM 0 HD2 PRO A 39 15.180 13.463 -16.400 1.00 0.00 H new ATOM 0 HD3 PRO A 39 13.937 12.254 -16.143 1.00 0.00 H new ATOM 572 N GLU A 40 11.866 16.927 -14.312 1.00 0.00 N ATOM 573 CA GLU A 40 11.950 18.263 -13.713 1.00 0.00 C ATOM 574 C GLU A 40 11.416 18.200 -12.264 1.00 0.00 C ATOM 575 O GLU A 40 10.875 17.179 -11.833 1.00 0.00 O ATOM 576 CB GLU A 40 11.160 19.289 -14.547 1.00 0.00 C ATOM 577 CG GLU A 40 11.776 19.537 -15.931 1.00 0.00 C ATOM 578 CD GLU A 40 11.044 20.677 -16.665 1.00 0.00 C ATOM 579 OE1 GLU A 40 11.416 21.864 -16.481 1.00 0.00 O ATOM 580 OE2 GLU A 40 10.092 20.398 -17.437 1.00 0.00 O1- ATOM 0 H GLU A 40 10.968 16.483 -14.118 1.00 0.00 H new ATOM 0 HA GLU A 40 12.990 18.588 -13.699 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.135 18.938 -14.669 1.00 0.00 H new ATOM 0 HB3 GLU A 40 11.112 20.232 -14.002 1.00 0.00 H new ATOM 0 HG2 GLU A 40 12.831 19.787 -15.824 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.724 18.625 -16.525 1.00 0.00 H new ATOM 587 N LEU A 41 11.582 19.271 -11.476 1.00 0.00 N ATOM 588 CA LEU A 41 11.258 19.247 -10.040 1.00 0.00 C ATOM 589 C LEU A 41 9.796 18.870 -9.749 1.00 0.00 C ATOM 590 O LEU A 41 9.541 18.134 -8.803 1.00 0.00 O ATOM 591 CB LEU A 41 11.677 20.593 -9.420 1.00 0.00 C ATOM 592 CG LEU A 41 11.676 20.719 -7.879 1.00 0.00 C ATOM 593 CD1 LEU A 41 10.334 21.195 -7.320 1.00 0.00 C ATOM 594 CD2 LEU A 41 12.095 19.447 -7.144 1.00 0.00 C ATOM 0 H LEU A 41 11.939 20.167 -11.808 1.00 0.00 H new ATOM 0 HA LEU A 41 11.826 18.448 -9.565 1.00 0.00 H new ATOM 0 HB2 LEU A 41 12.682 20.823 -9.772 1.00 0.00 H new ATOM 0 HB3 LEU A 41 11.016 21.363 -9.818 1.00 0.00 H new ATOM 0 HG LEU A 41 12.435 21.478 -7.690 1.00 0.00 H new ATOM 0 HD11 LEU A 41 10.396 21.264 -6.234 1.00 0.00 H new ATOM 0 HD12 LEU A 41 10.095 22.175 -7.733 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.553 20.486 -7.595 1.00 0.00 H new ATOM 0 HD21 LEU A 41 12.067 19.622 -6.069 1.00 0.00 H new ATOM 0 HD22 LEU A 41 11.410 18.638 -7.398 1.00 0.00 H new ATOM 0 HD23 LEU A 41 13.107 19.172 -7.440 1.00 0.00 H new ATOM 606 N SER A 42 8.840 19.270 -10.589 1.00 0.00 N ATOM 607 CA SER A 42 7.429 18.857 -10.481 1.00 0.00 C ATOM 608 C SER A 42 7.186 17.336 -10.610 1.00 0.00 C ATOM 609 O SER A 42 6.120 16.867 -10.207 1.00 0.00 O ATOM 610 CB SER A 42 6.584 19.612 -11.513 1.00 0.00 C ATOM 611 OG SER A 42 7.108 19.436 -12.822 1.00 0.00 O ATOM 0 H SER A 42 9.020 19.896 -11.374 1.00 0.00 H new ATOM 0 HA SER A 42 7.125 19.115 -9.467 1.00 0.00 H new ATOM 0 HB2 SER A 42 5.555 19.255 -11.478 1.00 0.00 H new ATOM 0 HB3 SER A 42 6.562 20.673 -11.265 1.00 0.00 H new ATOM 0 HG SER A 42 6.553 19.925 -13.465 1.00 0.00 H new ATOM 617 N ASP A 43 8.152 16.552 -11.107 1.00 0.00 N ATOM 618 CA ASP A 43 8.118 15.079 -11.089 1.00 0.00 C ATOM 619 C ASP A 43 8.675 14.492 -9.777 1.00 0.00 C ATOM 620 O ASP A 43 8.182 13.469 -9.300 1.00 0.00 O ATOM 621 CB ASP A 43 8.917 14.506 -12.270 1.00 0.00 C ATOM 622 CG ASP A 43 8.398 14.999 -13.632 1.00 0.00 C ATOM 623 OD1 ASP A 43 7.204 14.762 -13.950 1.00 0.00 O1- ATOM 624 OD2 ASP A 43 9.188 15.598 -14.402 1.00 0.00 O ATOM 0 H ASP A 43 8.995 16.928 -11.541 1.00 0.00 H new ATOM 0 HA ASP A 43 7.069 14.794 -11.171 1.00 0.00 H new ATOM 0 HB2 ASP A 43 9.966 14.784 -12.163 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.871 13.417 -12.241 1.00 0.00 H new ATOM 629 N TRP A 44 9.672 15.147 -9.164 1.00 0.00 N ATOM 630 CA TRP A 44 10.222 14.778 -7.851 1.00 0.00 C ATOM 631 C TRP A 44 9.296 15.180 -6.691 1.00 0.00 C ATOM 632 O TRP A 44 9.134 14.450 -5.711 1.00 0.00 O ATOM 633 CB TRP A 44 11.608 15.422 -7.699 1.00 0.00 C ATOM 634 CG TRP A 44 12.352 15.080 -6.454 1.00 0.00 C ATOM 635 CD1 TRP A 44 12.220 15.676 -5.245 1.00 0.00 C ATOM 636 CD2 TRP A 44 13.383 14.065 -6.299 1.00 0.00 C ATOM 637 NE1 TRP A 44 13.094 15.085 -4.350 1.00 0.00 N ATOM 638 CE2 TRP A 44 13.836 14.090 -4.951 1.00 0.00 C ATOM 639 CE3 TRP A 44 13.989 13.137 -7.172 1.00 0.00 C ATOM 640 CZ2 TRP A 44 14.836 13.222 -4.496 1.00 0.00 C ATOM 641 CZ3 TRP A 44 14.986 12.254 -6.716 1.00 0.00 C ATOM 642 CH2 TRP A 44 15.413 12.301 -5.383 1.00 0.00 C ATOM 0 H TRP A 44 10.127 15.963 -9.574 1.00 0.00 H new ATOM 0 HA TRP A 44 10.308 13.692 -7.805 1.00 0.00 H new ATOM 0 HB2 TRP A 44 12.218 15.132 -8.555 1.00 0.00 H new ATOM 0 HB3 TRP A 44 11.491 16.505 -7.743 1.00 0.00 H new ATOM 0 HD1 TRP A 44 11.541 16.484 -5.016 1.00 0.00 H new ATOM 0 HE1 TRP A 44 13.179 15.352 -3.369 1.00 0.00 H new ATOM 0 HE3 TRP A 44 13.683 13.104 -8.207 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 15.162 13.261 -3.467 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 15.423 11.538 -7.396 1.00 0.00 H new ATOM 0 HH2 TRP A 44 16.185 11.629 -5.038 1.00 0.00 H new ATOM 653 N LEU A 45 8.650 16.339 -6.834 1.00 0.00 N ATOM 654 CA LEU A 45 7.729 16.972 -5.894 1.00 0.00 C ATOM 655 C LEU A 45 6.691 16.020 -5.243 1.00 0.00 C ATOM 656 O LEU A 45 6.645 15.999 -4.012 1.00 0.00 O ATOM 657 CB LEU A 45 7.121 18.180 -6.634 1.00 0.00 C ATOM 658 CG LEU A 45 6.081 19.008 -5.868 1.00 0.00 C ATOM 659 CD1 LEU A 45 6.615 19.501 -4.523 1.00 0.00 C ATOM 660 CD2 LEU A 45 5.679 20.223 -6.704 1.00 0.00 C ATOM 0 H LEU A 45 8.768 16.901 -7.677 1.00 0.00 H new ATOM 0 HA LEU A 45 8.273 17.303 -5.009 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.935 18.843 -6.927 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.658 17.818 -7.552 1.00 0.00 H new ATOM 0 HG LEU A 45 5.224 18.360 -5.681 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.844 20.082 -4.017 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.890 18.646 -3.905 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.492 20.127 -4.687 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.940 20.811 -6.159 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.558 20.837 -6.900 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.252 19.889 -7.649 1.00 0.00 H new ATOM 672 N PRO A 46 5.922 15.180 -5.971 1.00 0.00 N ATOM 673 CA PRO A 46 4.973 14.230 -5.365 1.00 0.00 C ATOM 674 C PRO A 46 5.605 13.076 -4.555 1.00 0.00 C ATOM 675 O PRO A 46 4.868 12.281 -3.959 1.00 0.00 O ATOM 676 CB PRO A 46 4.111 13.709 -6.523 1.00 0.00 C ATOM 677 CG PRO A 46 5.004 13.880 -7.747 1.00 0.00 C ATOM 678 CD PRO A 46 5.778 15.153 -7.420 1.00 0.00 C ATOM 0 HA PRO A 46 4.391 14.753 -4.606 1.00 0.00 H new ATOM 0 HB2 PRO A 46 3.830 12.666 -6.375 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.186 14.277 -6.620 1.00 0.00 H new ATOM 0 HG2 PRO A 46 5.668 13.027 -7.887 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.421 13.984 -8.662 1.00 0.00 H new ATOM 0 HD2 PRO A 46 6.753 15.152 -7.908 1.00 0.00 H new ATOM 0 HD3 PRO A 46 5.245 16.035 -7.775 1.00 0.00 H new ATOM 686 N TYR A 47 6.941 12.989 -4.480 1.00 0.00 N ATOM 687 CA TYR A 47 7.682 11.955 -3.745 1.00 0.00 C ATOM 688 C TYR A 47 8.600 12.509 -2.636 1.00 0.00 C ATOM 689 O TYR A 47 9.232 11.716 -1.938 1.00 0.00 O ATOM 690 CB TYR A 47 8.485 11.082 -4.720 1.00 0.00 C ATOM 691 CG TYR A 47 7.656 10.317 -5.731 1.00 0.00 C ATOM 692 CD1 TYR A 47 7.104 9.065 -5.390 1.00 0.00 C ATOM 693 CD2 TYR A 47 7.441 10.852 -7.015 1.00 0.00 C ATOM 694 CE1 TYR A 47 6.332 8.353 -6.326 1.00 0.00 C ATOM 695 CE2 TYR A 47 6.671 10.145 -7.955 1.00 0.00 C ATOM 696 CZ TYR A 47 6.112 8.894 -7.614 1.00 0.00 C ATOM 697 OH TYR A 47 5.357 8.221 -8.524 1.00 0.00 O ATOM 0 H TYR A 47 7.555 13.658 -4.944 1.00 0.00 H new ATOM 0 HA TYR A 47 6.931 11.350 -3.236 1.00 0.00 H new ATOM 0 HB2 TYR A 47 9.189 11.718 -5.257 1.00 0.00 H new ATOM 0 HB3 TYR A 47 9.075 10.369 -4.144 1.00 0.00 H new ATOM 0 HD1 TYR A 47 7.274 8.651 -4.407 1.00 0.00 H new ATOM 0 HD2 TYR A 47 7.869 11.808 -7.279 1.00 0.00 H new ATOM 0 HE1 TYR A 47 5.908 7.395 -6.062 1.00 0.00 H new ATOM 0 HE2 TYR A 47 6.507 10.559 -8.939 1.00 0.00 H new ATOM 0 HH TYR A 47 5.309 8.738 -9.355 1.00 0.00 H new ATOM 707 N GLN A 48 8.660 13.834 -2.410 1.00 0.00 N ATOM 708 CA GLN A 48 9.558 14.443 -1.407 1.00 0.00 C ATOM 709 C GLN A 48 9.318 13.991 0.053 1.00 0.00 C ATOM 710 O GLN A 48 10.157 14.224 0.922 1.00 0.00 O ATOM 711 CB GLN A 48 9.537 15.981 -1.515 1.00 0.00 C ATOM 712 CG GLN A 48 8.260 16.645 -0.964 1.00 0.00 C ATOM 713 CD GLN A 48 8.460 18.131 -0.683 1.00 0.00 C ATOM 714 OE1 GLN A 48 8.435 18.579 0.457 1.00 0.00 O ATOM 715 NE2 GLN A 48 8.687 18.946 -1.691 1.00 0.00 N ATOM 0 H GLN A 48 8.090 14.512 -2.915 1.00 0.00 H new ATOM 0 HA GLN A 48 10.551 14.068 -1.656 1.00 0.00 H new ATOM 0 HB2 GLN A 48 10.399 16.382 -0.981 1.00 0.00 H new ATOM 0 HB3 GLN A 48 9.653 16.260 -2.562 1.00 0.00 H new ATOM 0 HG2 GLN A 48 7.448 16.518 -1.680 1.00 0.00 H new ATOM 0 HG3 GLN A 48 7.957 16.141 -0.046 1.00 0.00 H new ATOM 0 HE21 GLN A 48 8.710 18.584 -2.644 1.00 0.00 H new ATOM 0 HE22 GLN A 48 8.840 19.940 -1.519 1.00 0.00 H new ATOM 724 N ASP A 49 8.174 13.360 0.321 1.00 0.00 N ATOM 725 CA ASP A 49 7.730 12.817 1.613 1.00 0.00 C ATOM 726 C ASP A 49 7.450 11.293 1.545 1.00 0.00 C ATOM 727 O ASP A 49 6.753 10.732 2.397 1.00 0.00 O ATOM 728 CB ASP A 49 6.506 13.617 2.095 1.00 0.00 C ATOM 729 CG ASP A 49 5.228 13.328 1.283 1.00 0.00 C ATOM 730 OD1 ASP A 49 5.264 13.412 0.031 1.00 0.00 O ATOM 731 OD2 ASP A 49 4.171 13.043 1.898 1.00 0.00 O1- ATOM 0 H ASP A 49 7.480 13.202 -0.410 1.00 0.00 H new ATOM 0 HA ASP A 49 8.534 12.929 2.341 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.321 13.387 3.144 1.00 0.00 H new ATOM 0 HB3 ASP A 49 6.731 14.682 2.037 1.00 0.00 H new ATOM 736 N LYS A 50 7.996 10.633 0.515 1.00 0.00 N ATOM 737 CA LYS A 50 7.841 9.207 0.174 1.00 0.00 C ATOM 738 C LYS A 50 9.242 8.566 0.084 1.00 0.00 C ATOM 739 O LYS A 50 10.110 8.851 0.914 1.00 0.00 O ATOM 740 CB LYS A 50 7.045 9.080 -1.153 1.00 0.00 C ATOM 741 CG LYS A 50 5.745 9.891 -1.287 1.00 0.00 C ATOM 742 CD LYS A 50 4.627 9.453 -0.329 1.00 0.00 C ATOM 743 CE LYS A 50 3.374 10.330 -0.484 1.00 0.00 C ATOM 744 NZ LYS A 50 2.747 10.197 -1.827 1.00 0.00 N1+ ATOM 0 H LYS A 50 8.601 11.113 -0.151 1.00 0.00 H new ATOM 0 HA LYS A 50 7.277 8.677 0.942 1.00 0.00 H new ATOM 0 HB2 LYS A 50 7.706 9.369 -1.970 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.800 8.028 -1.298 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.967 10.944 -1.111 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.383 9.809 -2.312 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.369 8.412 -0.522 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.985 9.508 0.699 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.647 10.058 0.281 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.641 11.373 -0.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.829 10.685 -1.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.369 10.623 -2.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.605 9.190 -2.046 1.00 0.00 H new ATOM 758 N TYR A 51 9.465 7.717 -0.918 1.00 0.00 N ATOM 759 CA TYR A 51 10.768 7.185 -1.305 1.00 0.00 C ATOM 760 C TYR A 51 11.034 7.517 -2.781 1.00 0.00 C ATOM 761 O TYR A 51 10.119 7.774 -3.567 1.00 0.00 O ATOM 762 CB TYR A 51 10.817 5.669 -1.080 1.00 0.00 C ATOM 763 CG TYR A 51 10.982 5.190 0.348 1.00 0.00 C ATOM 764 CD1 TYR A 51 12.273 4.920 0.840 1.00 0.00 C ATOM 765 CD2 TYR A 51 9.851 4.872 1.127 1.00 0.00 C ATOM 766 CE1 TYR A 51 12.434 4.312 2.101 1.00 0.00 C ATOM 767 CE2 TYR A 51 10.013 4.270 2.390 1.00 0.00 C ATOM 768 CZ TYR A 51 11.306 3.989 2.883 1.00 0.00 C ATOM 769 OH TYR A 51 11.479 3.383 4.087 1.00 0.00 O ATOM 0 H TYR A 51 8.709 7.367 -1.507 1.00 0.00 H new ATOM 0 HA TYR A 51 11.541 7.644 -0.688 1.00 0.00 H new ATOM 0 HB2 TYR A 51 9.898 5.238 -1.478 1.00 0.00 H new ATOM 0 HB3 TYR A 51 11.640 5.266 -1.670 1.00 0.00 H new ATOM 0 HD1 TYR A 51 13.140 5.179 0.251 1.00 0.00 H new ATOM 0 HD2 TYR A 51 8.861 5.090 0.755 1.00 0.00 H new ATOM 0 HE1 TYR A 51 13.425 4.093 2.470 1.00 0.00 H new ATOM 0 HE2 TYR A 51 9.145 4.022 2.983 1.00 0.00 H new ATOM 0 HH TYR A 51 10.606 3.228 4.504 1.00 0.00 H new ATOM 779 N VAL A 52 12.309 7.519 -3.157 1.00 0.00 N ATOM 780 CA VAL A 52 12.795 7.873 -4.501 1.00 0.00 C ATOM 781 C VAL A 52 14.026 7.039 -4.850 1.00 0.00 C ATOM 782 O VAL A 52 14.598 6.382 -3.983 1.00 0.00 O ATOM 783 CB VAL A 52 13.119 9.381 -4.601 1.00 0.00 C ATOM 784 CG1 VAL A 52 11.871 10.264 -4.513 1.00 0.00 C ATOM 785 CG2 VAL A 52 14.141 9.850 -3.563 1.00 0.00 C ATOM 0 H VAL A 52 13.063 7.267 -2.519 1.00 0.00 H new ATOM 0 HA VAL A 52 12.003 7.654 -5.217 1.00 0.00 H new ATOM 0 HB VAL A 52 13.560 9.495 -5.591 1.00 0.00 H new ATOM 0 HG11 VAL A 52 12.161 11.312 -4.589 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.191 10.015 -5.328 1.00 0.00 H new ATOM 0 HG13 VAL A 52 11.372 10.094 -3.559 1.00 0.00 H new ATOM 0 HG21 VAL A 52 14.323 10.917 -3.688 1.00 0.00 H new ATOM 0 HG22 VAL A 52 13.754 9.663 -2.561 1.00 0.00 H new ATOM 0 HG23 VAL A 52 15.075 9.304 -3.699 1.00 0.00 H new ATOM 795 N LEU A 53 14.443 7.025 -6.115 1.00 0.00 N ATOM 796 CA LEU A 53 15.640 6.309 -6.558 1.00 0.00 C ATOM 797 C LEU A 53 16.190 6.923 -7.854 1.00 0.00 C ATOM 798 O LEU A 53 15.447 7.413 -8.706 1.00 0.00 O ATOM 799 CB LEU A 53 15.306 4.799 -6.578 1.00 0.00 C ATOM 800 CG LEU A 53 15.762 3.918 -7.751 1.00 0.00 C ATOM 801 CD1 LEU A 53 17.250 3.560 -7.710 1.00 0.00 C ATOM 802 CD2 LEU A 53 15.006 2.586 -7.739 1.00 0.00 C ATOM 0 H LEU A 53 13.957 7.513 -6.867 1.00 0.00 H new ATOM 0 HA LEU A 53 16.479 6.417 -5.870 1.00 0.00 H new ATOM 0 HB2 LEU A 53 15.721 4.365 -5.668 1.00 0.00 H new ATOM 0 HB3 LEU A 53 14.222 4.708 -6.509 1.00 0.00 H new ATOM 0 HG LEU A 53 15.559 4.510 -8.643 1.00 0.00 H new ATOM 0 HD11 LEU A 53 17.498 2.937 -8.569 1.00 0.00 H new ATOM 0 HD12 LEU A 53 17.845 4.473 -7.740 1.00 0.00 H new ATOM 0 HD13 LEU A 53 17.468 3.015 -6.792 1.00 0.00 H new ATOM 0 HD21 LEU A 53 15.339 1.971 -8.575 1.00 0.00 H new ATOM 0 HD22 LEU A 53 15.204 2.063 -6.803 1.00 0.00 H new ATOM 0 HD23 LEU A 53 13.936 2.774 -7.830 1.00 0.00 H new ATOM 814 N VAL A 54 17.513 6.920 -7.972 1.00 0.00 N ATOM 815 CA VAL A 54 18.277 7.633 -9.006 1.00 0.00 C ATOM 816 C VAL A 54 18.968 6.636 -9.939 1.00 0.00 C ATOM 817 O VAL A 54 19.622 5.707 -9.461 1.00 0.00 O ATOM 818 CB VAL A 54 19.344 8.516 -8.334 1.00 0.00 C ATOM 819 CG1 VAL A 54 20.059 9.411 -9.351 1.00 0.00 C ATOM 820 CG2 VAL A 54 18.768 9.405 -7.220 1.00 0.00 C ATOM 0 H VAL A 54 18.112 6.403 -7.328 1.00 0.00 H new ATOM 0 HA VAL A 54 17.592 8.250 -9.587 1.00 0.00 H new ATOM 0 HB VAL A 54 20.055 7.819 -7.890 1.00 0.00 H new ATOM 0 HG11 VAL A 54 20.805 10.019 -8.839 1.00 0.00 H new ATOM 0 HG12 VAL A 54 20.550 8.790 -10.101 1.00 0.00 H new ATOM 0 HG13 VAL A 54 19.332 10.061 -9.838 1.00 0.00 H new ATOM 0 HG21 VAL A 54 19.567 10.005 -6.783 1.00 0.00 H new ATOM 0 HG22 VAL A 54 18.006 10.064 -7.637 1.00 0.00 H new ATOM 0 HG23 VAL A 54 18.322 8.778 -6.448 1.00 0.00 H new ATOM 830 N VAL A 55 18.868 6.833 -11.256 1.00 0.00 N ATOM 831 CA VAL A 55 19.483 5.967 -12.280 1.00 0.00 C ATOM 832 C VAL A 55 20.135 6.856 -13.353 1.00 0.00 C ATOM 833 O VAL A 55 19.483 7.248 -14.322 1.00 0.00 O ATOM 834 CB VAL A 55 18.455 4.965 -12.855 1.00 0.00 C ATOM 835 CG1 VAL A 55 19.188 3.868 -13.637 1.00 0.00 C ATOM 836 CG2 VAL A 55 17.619 4.253 -11.778 1.00 0.00 C ATOM 0 H VAL A 55 18.347 7.614 -11.655 1.00 0.00 H new ATOM 0 HA VAL A 55 20.265 5.353 -11.834 1.00 0.00 H new ATOM 0 HB VAL A 55 17.787 5.556 -13.482 1.00 0.00 H new ATOM 0 HG11 VAL A 55 18.462 3.163 -14.042 1.00 0.00 H new ATOM 0 HG12 VAL A 55 19.751 4.318 -14.455 1.00 0.00 H new ATOM 0 HG13 VAL A 55 19.873 3.342 -12.971 1.00 0.00 H new ATOM 0 HG21 VAL A 55 16.920 3.566 -12.255 1.00 0.00 H new ATOM 0 HG22 VAL A 55 18.280 3.695 -11.114 1.00 0.00 H new ATOM 0 HG23 VAL A 55 17.064 4.992 -11.200 1.00 0.00 H new ATOM 846 N THR A 56 21.423 7.186 -13.192 1.00 0.00 N ATOM 847 CA THR A 56 22.089 8.232 -14.014 1.00 0.00 C ATOM 848 C THR A 56 23.487 7.878 -14.539 1.00 0.00 C ATOM 849 O THR A 56 24.322 7.347 -13.809 1.00 0.00 O ATOM 850 CB THR A 56 22.149 9.517 -13.162 1.00 0.00 C ATOM 851 OG1 THR A 56 20.837 9.953 -12.895 1.00 0.00 O ATOM 852 CG2 THR A 56 22.865 10.702 -13.798 1.00 0.00 C ATOM 0 H THR A 56 22.034 6.749 -12.502 1.00 0.00 H new ATOM 0 HA THR A 56 21.493 8.352 -14.919 1.00 0.00 H new ATOM 0 HB THR A 56 22.717 9.228 -12.277 1.00 0.00 H new ATOM 0 HG1 THR A 56 20.843 10.551 -12.118 1.00 0.00 H new ATOM 0 HG21 THR A 56 22.847 11.549 -13.112 1.00 0.00 H new ATOM 0 HG22 THR A 56 23.899 10.430 -14.012 1.00 0.00 H new ATOM 0 HG23 THR A 56 22.362 10.976 -14.726 1.00 0.00 H new ATOM 860 N SER A 57 23.747 8.229 -15.805 1.00 0.00 N ATOM 861 CA SER A 57 25.028 8.065 -16.523 1.00 0.00 C ATOM 862 C SER A 57 26.014 9.234 -16.278 1.00 0.00 C ATOM 863 O SER A 57 25.787 10.072 -15.410 1.00 0.00 O ATOM 864 CB SER A 57 24.763 7.870 -18.027 1.00 0.00 C ATOM 865 OG SER A 57 23.622 7.050 -18.211 1.00 0.00 O ATOM 0 H SER A 57 23.033 8.659 -16.393 1.00 0.00 H new ATOM 0 HA SER A 57 25.513 7.175 -16.122 1.00 0.00 H new ATOM 0 HB2 SER A 57 24.609 8.837 -18.507 1.00 0.00 H new ATOM 0 HB3 SER A 57 25.631 7.413 -18.502 1.00 0.00 H new ATOM 0 HG SER A 57 23.456 6.930 -19.169 1.00 0.00 H new ATOM 871 N THR A 58 27.104 9.336 -17.057 1.00 0.00 N ATOM 872 CA THR A 58 28.106 10.428 -16.963 1.00 0.00 C ATOM 873 C THR A 58 28.493 10.948 -18.358 1.00 0.00 C ATOM 874 O THR A 58 28.633 10.158 -19.286 1.00 0.00 O ATOM 875 CB THR A 58 29.340 9.912 -16.203 1.00 0.00 C ATOM 876 OG1 THR A 58 28.960 9.415 -14.941 1.00 0.00 O ATOM 877 CG2 THR A 58 30.383 10.989 -15.916 1.00 0.00 C ATOM 0 H THR A 58 27.323 8.654 -17.784 1.00 0.00 H new ATOM 0 HA THR A 58 27.672 11.266 -16.418 1.00 0.00 H new ATOM 0 HB THR A 58 29.770 9.151 -16.855 1.00 0.00 H new ATOM 0 HG1 THR A 58 28.539 8.537 -15.049 1.00 0.00 H new ATOM 0 HG21 THR A 58 31.222 10.548 -15.378 1.00 0.00 H new ATOM 0 HG22 THR A 58 30.737 11.413 -16.856 1.00 0.00 H new ATOM 0 HG23 THR A 58 29.936 11.776 -15.309 1.00 0.00 H new ATOM 885 N THR A 59 28.700 12.258 -18.524 1.00 0.00 N ATOM 886 CA THR A 59 29.059 12.930 -19.787 1.00 0.00 C ATOM 887 C THR A 59 30.061 14.057 -19.502 1.00 0.00 C ATOM 888 O THR A 59 30.587 14.135 -18.396 1.00 0.00 O ATOM 889 CB THR A 59 27.784 13.425 -20.501 1.00 0.00 C ATOM 890 OG1 THR A 59 28.070 13.814 -21.815 1.00 0.00 O ATOM 891 CG2 THR A 59 27.124 14.643 -19.859 1.00 0.00 C ATOM 0 H THR A 59 28.619 12.914 -17.747 1.00 0.00 H new ATOM 0 HA THR A 59 29.547 12.229 -20.464 1.00 0.00 H new ATOM 0 HB THR A 59 27.108 12.572 -20.438 1.00 0.00 H new ATOM 0 HG1 THR A 59 27.245 13.809 -22.345 1.00 0.00 H new ATOM 0 HG21 THR A 59 26.237 14.918 -20.429 1.00 0.00 H new ATOM 0 HG22 THR A 59 26.838 14.404 -18.835 1.00 0.00 H new ATOM 0 HG23 THR A 59 27.826 15.477 -19.855 1.00 0.00 H new ATOM 930 N ASP A 63 30.505 14.691 -15.633 1.00 0.00 N ATOM 931 CA ASP A 63 29.370 15.457 -15.098 1.00 0.00 C ATOM 932 C ASP A 63 27.987 14.870 -15.449 1.00 0.00 C ATOM 933 O ASP A 63 27.857 13.969 -16.284 1.00 0.00 O ATOM 934 CB ASP A 63 29.484 16.914 -15.579 1.00 0.00 C ATOM 935 CG ASP A 63 30.562 17.690 -14.805 1.00 0.00 C ATOM 936 OD1 ASP A 63 30.263 18.171 -13.684 1.00 0.00 O ATOM 937 OD2 ASP A 63 31.693 17.857 -15.321 1.00 0.00 O1- ATOM 0 HA ASP A 63 29.430 15.402 -14.011 1.00 0.00 H new ATOM 0 HB2 ASP A 63 29.720 16.928 -16.643 1.00 0.00 H new ATOM 0 HB3 ASP A 63 28.522 17.412 -15.460 1.00 0.00 H new ATOM 942 N LEU A 64 26.950 15.391 -14.783 1.00 0.00 N ATOM 943 CA LEU A 64 25.523 15.104 -14.983 1.00 0.00 C ATOM 944 C LEU A 64 25.085 15.196 -16.469 1.00 0.00 C ATOM 945 O LEU A 64 25.308 16.233 -17.103 1.00 0.00 O ATOM 946 CB LEU A 64 24.703 16.124 -14.167 1.00 0.00 C ATOM 947 CG LEU A 64 24.775 15.928 -12.637 1.00 0.00 C ATOM 948 CD1 LEU A 64 24.865 17.286 -11.943 1.00 0.00 C ATOM 949 CD2 LEU A 64 23.539 15.205 -12.104 1.00 0.00 C ATOM 0 H LEU A 64 27.095 16.072 -14.038 1.00 0.00 H new ATOM 0 HA LEU A 64 25.347 14.079 -14.656 1.00 0.00 H new ATOM 0 HB2 LEU A 64 25.052 17.128 -14.409 1.00 0.00 H new ATOM 0 HB3 LEU A 64 23.660 16.065 -14.479 1.00 0.00 H new ATOM 0 HG LEU A 64 25.659 15.326 -12.429 1.00 0.00 H new ATOM 0 HD11 LEU A 64 24.915 17.141 -10.864 1.00 0.00 H new ATOM 0 HD12 LEU A 64 25.760 17.809 -12.281 1.00 0.00 H new ATOM 0 HD13 LEU A 64 23.984 17.879 -12.188 1.00 0.00 H new ATOM 0 HD21 LEU A 64 23.625 15.085 -11.024 1.00 0.00 H new ATOM 0 HD22 LEU A 64 22.648 15.789 -12.334 1.00 0.00 H new ATOM 0 HD23 LEU A 64 23.461 14.224 -12.573 1.00 0.00 H new ATOM 961 N PRO A 65 24.428 14.156 -17.026 1.00 0.00 N ATOM 962 CA PRO A 65 23.772 14.200 -18.333 1.00 0.00 C ATOM 963 C PRO A 65 22.725 15.312 -18.393 1.00 0.00 C ATOM 964 O PRO A 65 21.986 15.538 -17.431 1.00 0.00 O ATOM 965 CB PRO A 65 23.127 12.821 -18.530 1.00 0.00 C ATOM 966 CG PRO A 65 23.975 11.924 -17.635 1.00 0.00 C ATOM 967 CD PRO A 65 24.255 12.840 -16.451 1.00 0.00 C ATOM 0 HA PRO A 65 24.488 14.419 -19.125 1.00 0.00 H new ATOM 0 HB2 PRO A 65 22.079 12.818 -18.230 1.00 0.00 H new ATOM 0 HB3 PRO A 65 23.162 12.503 -19.572 1.00 0.00 H new ATOM 0 HG2 PRO A 65 23.441 11.022 -17.337 1.00 0.00 H new ATOM 0 HG3 PRO A 65 24.892 11.603 -18.129 1.00 0.00 H new ATOM 0 HD2 PRO A 65 23.430 12.826 -15.738 1.00 0.00 H new ATOM 0 HD3 PRO A 65 25.148 12.525 -15.911 1.00 0.00 H new ATOM 975 N ASP A 66 22.612 15.994 -19.532 1.00 0.00 N ATOM 976 CA ASP A 66 21.773 17.195 -19.626 1.00 0.00 C ATOM 977 C ASP A 66 20.280 16.931 -19.338 1.00 0.00 C ATOM 978 O ASP A 66 19.581 17.808 -18.827 1.00 0.00 O ATOM 979 CB ASP A 66 21.979 17.844 -20.998 1.00 0.00 C ATOM 980 CG ASP A 66 21.276 19.207 -21.101 1.00 0.00 C ATOM 981 OD1 ASP A 66 21.721 20.166 -20.424 1.00 0.00 O1- ATOM 982 OD2 ASP A 66 20.303 19.330 -21.886 1.00 0.00 O ATOM 0 H ASP A 66 23.086 15.740 -20.399 1.00 0.00 H new ATOM 0 HA ASP A 66 22.091 17.882 -18.842 1.00 0.00 H new ATOM 0 HB2 ASP A 66 23.046 17.971 -21.182 1.00 0.00 H new ATOM 0 HB3 ASP A 66 21.598 17.180 -21.774 1.00 0.00 H new ATOM 987 N SER A 67 19.815 15.696 -19.566 1.00 0.00 N ATOM 988 CA SER A 67 18.459 15.222 -19.241 1.00 0.00 C ATOM 989 C SER A 67 18.109 15.223 -17.739 1.00 0.00 C ATOM 990 O SER A 67 16.934 15.069 -17.402 1.00 0.00 O ATOM 991 CB SER A 67 18.247 13.807 -19.795 1.00 0.00 C ATOM 992 OG SER A 67 18.589 13.736 -21.168 1.00 0.00 O ATOM 0 H SER A 67 20.391 14.973 -19.997 1.00 0.00 H new ATOM 0 HA SER A 67 17.791 15.943 -19.712 1.00 0.00 H new ATOM 0 HB2 SER A 67 18.852 13.098 -19.230 1.00 0.00 H new ATOM 0 HB3 SER A 67 17.206 13.514 -19.662 1.00 0.00 H new ATOM 0 HG SER A 67 19.153 12.950 -21.324 1.00 0.00 H new ATOM 998 N ILE A 68 19.086 15.400 -16.832 1.00 0.00 N ATOM 999 CA ILE A 68 18.859 15.491 -15.372 1.00 0.00 C ATOM 1000 C ILE A 68 19.435 16.762 -14.725 1.00 0.00 C ATOM 1001 O ILE A 68 19.070 17.088 -13.599 1.00 0.00 O ATOM 1002 CB ILE A 68 19.308 14.189 -14.664 1.00 0.00 C ATOM 1003 CG1 ILE A 68 18.592 13.996 -13.312 1.00 0.00 C ATOM 1004 CG2 ILE A 68 20.838 14.090 -14.531 1.00 0.00 C ATOM 1005 CD1 ILE A 68 18.808 12.618 -12.669 1.00 0.00 C ATOM 0 H ILE A 68 20.069 15.485 -17.092 1.00 0.00 H new ATOM 0 HA ILE A 68 17.783 15.591 -15.229 1.00 0.00 H new ATOM 0 HB ILE A 68 19.004 13.363 -15.306 1.00 0.00 H new ATOM 0 HG12 ILE A 68 18.937 14.764 -12.620 1.00 0.00 H new ATOM 0 HG13 ILE A 68 17.523 14.153 -13.456 1.00 0.00 H new ATOM 0 HG21 ILE A 68 21.100 13.159 -14.028 1.00 0.00 H new ATOM 0 HG22 ILE A 68 21.291 14.107 -15.522 1.00 0.00 H new ATOM 0 HG23 ILE A 68 21.208 14.934 -13.949 1.00 0.00 H new ATOM 0 HD11 ILE A 68 18.269 12.570 -11.723 1.00 0.00 H new ATOM 0 HD12 ILE A 68 18.436 11.842 -13.338 1.00 0.00 H new ATOM 0 HD13 ILE A 68 19.872 12.463 -12.489 1.00 0.00 H new ATOM 1017 N VAL A 69 20.248 17.552 -15.438 1.00 0.00 N ATOM 1018 CA VAL A 69 20.687 18.892 -14.992 1.00 0.00 C ATOM 1019 C VAL A 69 19.530 19.776 -14.484 1.00 0.00 C ATOM 1020 O VAL A 69 19.654 20.281 -13.367 1.00 0.00 O ATOM 1021 CB VAL A 69 21.529 19.590 -16.084 1.00 0.00 C ATOM 1022 CG1 VAL A 69 21.858 21.052 -15.744 1.00 0.00 C ATOM 1023 CG2 VAL A 69 22.867 18.861 -16.267 1.00 0.00 C ATOM 0 H VAL A 69 20.625 17.283 -16.347 1.00 0.00 H new ATOM 0 HA VAL A 69 21.329 18.740 -14.124 1.00 0.00 H new ATOM 0 HB VAL A 69 20.923 19.562 -16.990 1.00 0.00 H new ATOM 0 HG11 VAL A 69 22.451 21.488 -16.548 1.00 0.00 H new ATOM 0 HG12 VAL A 69 20.932 21.616 -15.629 1.00 0.00 H new ATOM 0 HG13 VAL A 69 22.425 21.091 -14.814 1.00 0.00 H new ATOM 0 HG21 VAL A 69 23.452 19.362 -17.039 1.00 0.00 H new ATOM 0 HG22 VAL A 69 23.420 18.874 -15.328 1.00 0.00 H new ATOM 0 HG23 VAL A 69 22.681 17.829 -16.565 1.00 0.00 H new ATOM 1033 N PRO A 70 18.374 19.921 -15.168 1.00 0.00 N ATOM 1034 CA PRO A 70 17.272 20.742 -14.654 1.00 0.00 C ATOM 1035 C PRO A 70 16.561 20.139 -13.427 1.00 0.00 C ATOM 1036 O PRO A 70 15.935 20.879 -12.669 1.00 0.00 O ATOM 1037 CB PRO A 70 16.313 20.931 -15.833 1.00 0.00 C ATOM 1038 CG PRO A 70 16.545 19.691 -16.691 1.00 0.00 C ATOM 1039 CD PRO A 70 18.037 19.428 -16.503 1.00 0.00 C ATOM 0 HA PRO A 70 17.658 21.691 -14.282 1.00 0.00 H new ATOM 0 HB2 PRO A 70 15.277 20.999 -15.500 1.00 0.00 H new ATOM 0 HB3 PRO A 70 16.531 21.846 -16.384 1.00 0.00 H new ATOM 0 HG2 PRO A 70 15.940 18.848 -16.357 1.00 0.00 H new ATOM 0 HG3 PRO A 70 16.294 19.869 -17.737 1.00 0.00 H new ATOM 0 HD2 PRO A 70 18.259 18.365 -16.593 1.00 0.00 H new ATOM 0 HD3 PRO A 70 18.622 19.941 -17.266 1.00 0.00 H new ATOM 1047 N LEU A 71 16.696 18.828 -13.171 1.00 0.00 N ATOM 1048 CA LEU A 71 16.206 18.203 -11.934 1.00 0.00 C ATOM 1049 C LEU A 71 17.178 18.499 -10.789 1.00 0.00 C ATOM 1050 O LEU A 71 16.759 18.872 -9.692 1.00 0.00 O ATOM 1051 CB LEU A 71 16.014 16.681 -12.139 1.00 0.00 C ATOM 1052 CG LEU A 71 15.503 15.981 -10.862 1.00 0.00 C ATOM 1053 CD1 LEU A 71 14.130 16.494 -10.435 1.00 0.00 C ATOM 1054 CD2 LEU A 71 15.398 14.470 -11.042 1.00 0.00 C ATOM 0 H LEU A 71 17.146 18.175 -13.813 1.00 0.00 H new ATOM 0 HA LEU A 71 15.234 18.623 -11.674 1.00 0.00 H new ATOM 0 HB2 LEU A 71 15.307 16.512 -12.952 1.00 0.00 H new ATOM 0 HB3 LEU A 71 16.961 16.235 -12.442 1.00 0.00 H new ATOM 0 HG LEU A 71 16.239 16.213 -10.093 1.00 0.00 H new ATOM 0 HD11 LEU A 71 13.811 15.973 -9.532 1.00 0.00 H new ATOM 0 HD12 LEU A 71 14.187 17.564 -10.235 1.00 0.00 H new ATOM 0 HD13 LEU A 71 13.409 16.312 -11.232 1.00 0.00 H new ATOM 0 HD21 LEU A 71 15.035 14.018 -10.119 1.00 0.00 H new ATOM 0 HD22 LEU A 71 14.704 14.248 -11.853 1.00 0.00 H new ATOM 0 HD23 LEU A 71 16.380 14.063 -11.283 1.00 0.00 H new ATOM 1066 N PHE A 72 18.476 18.397 -11.069 1.00 0.00 N ATOM 1067 CA PHE A 72 19.544 18.684 -10.131 1.00 0.00 C ATOM 1068 C PHE A 72 19.515 20.161 -9.679 1.00 0.00 C ATOM 1069 O PHE A 72 19.518 20.427 -8.478 1.00 0.00 O ATOM 1070 CB PHE A 72 20.844 18.223 -10.810 1.00 0.00 C ATOM 1071 CG PHE A 72 22.106 18.629 -10.091 1.00 0.00 C ATOM 1072 CD1 PHE A 72 22.659 19.890 -10.365 1.00 0.00 C ATOM 1073 CD2 PHE A 72 22.720 17.773 -9.159 1.00 0.00 C ATOM 1074 CE1 PHE A 72 23.815 20.313 -9.685 1.00 0.00 C ATOM 1075 CE2 PHE A 72 23.876 18.200 -8.477 1.00 0.00 C ATOM 1076 CZ PHE A 72 24.421 19.470 -8.736 1.00 0.00 C ATOM 0 H PHE A 72 18.817 18.103 -11.984 1.00 0.00 H new ATOM 0 HA PHE A 72 19.437 18.143 -9.191 1.00 0.00 H new ATOM 0 HB2 PHE A 72 20.826 17.137 -10.900 1.00 0.00 H new ATOM 0 HB3 PHE A 72 20.872 18.626 -11.822 1.00 0.00 H new ATOM 0 HD1 PHE A 72 22.197 20.535 -11.098 1.00 0.00 H new ATOM 0 HD2 PHE A 72 22.307 16.794 -8.967 1.00 0.00 H new ATOM 0 HE1 PHE A 72 24.238 21.285 -9.891 1.00 0.00 H new ATOM 0 HE2 PHE A 72 24.345 17.550 -7.753 1.00 0.00 H new ATOM 0 HZ PHE A 72 25.304 19.798 -8.207 1.00 0.00 H new ATOM 1086 N GLN A 73 19.359 21.131 -10.595 1.00 0.00 N ATOM 1087 CA GLN A 73 19.144 22.542 -10.219 1.00 0.00 C ATOM 1088 C GLN A 73 17.838 22.754 -9.430 1.00 0.00 C ATOM 1089 O GLN A 73 17.814 23.492 -8.443 1.00 0.00 O ATOM 1090 CB GLN A 73 19.128 23.462 -11.457 1.00 0.00 C ATOM 1091 CG GLN A 73 20.407 23.465 -12.310 1.00 0.00 C ATOM 1092 CD GLN A 73 21.700 23.693 -11.531 1.00 0.00 C ATOM 1093 OE1 GLN A 73 21.780 24.464 -10.582 1.00 0.00 O ATOM 1094 NE2 GLN A 73 22.760 23.001 -11.886 1.00 0.00 N ATOM 0 H GLN A 73 19.377 20.966 -11.601 1.00 0.00 H new ATOM 0 HA GLN A 73 19.984 22.804 -9.576 1.00 0.00 H new ATOM 0 HB2 GLN A 73 18.292 23.169 -12.092 1.00 0.00 H new ATOM 0 HB3 GLN A 73 18.934 24.482 -11.125 1.00 0.00 H new ATOM 0 HG2 GLN A 73 20.479 22.512 -12.834 1.00 0.00 H new ATOM 0 HG3 GLN A 73 20.317 24.241 -13.071 1.00 0.00 H new ATOM 0 HE21 GLN A 73 22.707 22.356 -12.674 1.00 0.00 H new ATOM 0 HE22 GLN A 73 23.635 23.109 -11.373 1.00 0.00 H new ATOM 1103 N GLY A 74 16.756 22.082 -9.834 1.00 0.00 N ATOM 1104 CA GLY A 74 15.417 22.258 -9.280 1.00 0.00 C ATOM 1105 C GLY A 74 15.298 21.763 -7.842 1.00 0.00 C ATOM 1106 O GLY A 74 14.781 22.497 -7.007 1.00 0.00 O ATOM 0 H GLY A 74 16.792 21.383 -10.576 1.00 0.00 H new ATOM 0 HA2 GLY A 74 15.150 23.314 -9.318 1.00 0.00 H new ATOM 0 HA3 GLY A 74 14.699 21.725 -9.903 1.00 0.00 H new ATOM 1110 N ILE A 75 15.820 20.578 -7.510 1.00 0.00 N ATOM 1111 CA ILE A 75 15.838 20.057 -6.135 1.00 0.00 C ATOM 1112 C ILE A 75 16.694 20.964 -5.242 1.00 0.00 C ATOM 1113 O ILE A 75 16.248 21.357 -4.164 1.00 0.00 O ATOM 1114 CB ILE A 75 16.369 18.609 -6.170 1.00 0.00 C ATOM 1115 CG1 ILE A 75 15.312 17.649 -6.755 1.00 0.00 C ATOM 1116 CG2 ILE A 75 16.860 18.115 -4.791 1.00 0.00 C ATOM 1117 CD1 ILE A 75 15.859 16.250 -7.057 1.00 0.00 C ATOM 0 H ILE A 75 16.245 19.948 -8.190 1.00 0.00 H new ATOM 0 HA ILE A 75 14.834 20.049 -5.711 1.00 0.00 H new ATOM 0 HB ILE A 75 17.239 18.613 -6.826 1.00 0.00 H new ATOM 0 HG12 ILE A 75 14.483 17.563 -6.053 1.00 0.00 H new ATOM 0 HG13 ILE A 75 14.910 18.079 -7.672 1.00 0.00 H new ATOM 0 HG21 ILE A 75 17.222 17.090 -4.879 1.00 0.00 H new ATOM 0 HG22 ILE A 75 17.669 18.757 -4.442 1.00 0.00 H new ATOM 0 HG23 ILE A 75 16.036 18.149 -4.078 1.00 0.00 H new ATOM 0 HD11 ILE A 75 15.062 15.628 -7.465 1.00 0.00 H new ATOM 0 HD12 ILE A 75 16.669 16.325 -7.782 1.00 0.00 H new ATOM 0 HD13 ILE A 75 16.235 15.800 -6.138 1.00 0.00 H new ATOM 1129 N LYS A 76 17.895 21.336 -5.715 1.00 0.00 N ATOM 1130 CA LYS A 76 18.849 22.190 -4.994 1.00 0.00 C ATOM 1131 C LYS A 76 18.232 23.530 -4.582 1.00 0.00 C ATOM 1132 O LYS A 76 18.374 23.954 -3.435 1.00 0.00 O ATOM 1133 CB LYS A 76 20.087 22.389 -5.888 1.00 0.00 C ATOM 1134 CG LYS A 76 21.203 23.198 -5.214 1.00 0.00 C ATOM 1135 CD LYS A 76 22.540 23.068 -5.965 1.00 0.00 C ATOM 1136 CE LYS A 76 22.501 23.378 -7.473 1.00 0.00 C ATOM 1137 NZ LYS A 76 22.247 24.818 -7.770 1.00 0.00 N1+ ATOM 0 H LYS A 76 18.236 21.044 -6.631 1.00 0.00 H new ATOM 0 HA LYS A 76 19.137 21.700 -4.064 1.00 0.00 H new ATOM 0 HB2 LYS A 76 20.479 21.413 -6.175 1.00 0.00 H new ATOM 0 HB3 LYS A 76 19.786 22.894 -6.806 1.00 0.00 H new ATOM 0 HG2 LYS A 76 20.913 24.248 -5.168 1.00 0.00 H new ATOM 0 HG3 LYS A 76 21.329 22.857 -4.187 1.00 0.00 H new ATOM 0 HD2 LYS A 76 23.264 23.735 -5.496 1.00 0.00 H new ATOM 0 HD3 LYS A 76 22.911 22.052 -5.833 1.00 0.00 H new ATOM 0 HE2 LYS A 76 23.449 23.082 -7.923 1.00 0.00 H new ATOM 0 HE3 LYS A 76 21.724 22.774 -7.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 22.047 24.933 -8.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 21.431 25.148 -7.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 23.086 25.378 -7.517 1.00 0.00 H new ATOM 1151 N ASP A 77 17.529 24.175 -5.513 1.00 0.00 N ATOM 1152 CA ASP A 77 16.871 25.463 -5.287 1.00 0.00 C ATOM 1153 C ASP A 77 15.518 25.343 -4.552 1.00 0.00 C ATOM 1154 O ASP A 77 15.194 26.214 -3.741 1.00 0.00 O ATOM 1155 CB ASP A 77 16.699 26.148 -6.647 1.00 0.00 C ATOM 1156 CG ASP A 77 16.142 27.574 -6.503 1.00 0.00 C ATOM 1157 OD1 ASP A 77 16.888 28.470 -6.040 1.00 0.00 O1- ATOM 1158 OD2 ASP A 77 14.967 27.810 -6.874 1.00 0.00 O ATOM 0 H ASP A 77 17.399 23.813 -6.458 1.00 0.00 H new ATOM 0 HA ASP A 77 17.500 26.059 -4.626 1.00 0.00 H new ATOM 0 HB2 ASP A 77 17.660 26.183 -7.160 1.00 0.00 H new ATOM 0 HB3 ASP A 77 16.027 25.557 -7.269 1.00 0.00 H new ATOM 1163 N SER A 78 14.737 24.279 -4.802 1.00 0.00 N ATOM 1164 CA SER A 78 13.341 24.201 -4.314 1.00 0.00 C ATOM 1165 C SER A 78 13.153 23.549 -2.934 1.00 0.00 C ATOM 1166 O SER A 78 12.244 23.956 -2.207 1.00 0.00 O ATOM 1167 CB SER A 78 12.428 23.464 -5.303 1.00 0.00 C ATOM 1168 OG SER A 78 12.546 24.003 -6.607 1.00 0.00 O ATOM 0 H SER A 78 15.041 23.464 -5.335 1.00 0.00 H new ATOM 0 HA SER A 78 13.063 25.251 -4.220 1.00 0.00 H new ATOM 0 HB2 SER A 78 12.685 22.405 -5.320 1.00 0.00 H new ATOM 0 HB3 SER A 78 11.393 23.536 -4.969 1.00 0.00 H new ATOM 0 HG SER A 78 13.333 23.621 -7.049 1.00 0.00 H new ATOM 1174 N LEU A 79 13.961 22.544 -2.559 1.00 0.00 N ATOM 1175 CA LEU A 79 13.771 21.803 -1.296 1.00 0.00 C ATOM 1176 C LEU A 79 14.588 22.418 -0.148 1.00 0.00 C ATOM 1177 O LEU A 79 14.034 22.731 0.906 1.00 0.00 O ATOM 1178 CB LEU A 79 14.117 20.307 -1.474 1.00 0.00 C ATOM 1179 CG LEU A 79 12.943 19.435 -1.954 1.00 0.00 C ATOM 1180 CD1 LEU A 79 12.429 19.841 -3.334 1.00 0.00 C ATOM 1181 CD2 LEU A 79 13.372 17.969 -2.042 1.00 0.00 C ATOM 0 H LEU A 79 14.755 22.223 -3.113 1.00 0.00 H new ATOM 0 HA LEU A 79 12.717 21.882 -1.029 1.00 0.00 H new ATOM 0 HB2 LEU A 79 14.935 20.219 -2.189 1.00 0.00 H new ATOM 0 HB3 LEU A 79 14.480 19.915 -0.524 1.00 0.00 H new ATOM 0 HG LEU A 79 12.147 19.577 -1.223 1.00 0.00 H new ATOM 0 HD11 LEU A 79 11.602 19.191 -3.620 1.00 0.00 H new ATOM 0 HD12 LEU A 79 12.085 20.875 -3.304 1.00 0.00 H new ATOM 0 HD13 LEU A 79 13.233 19.747 -4.064 1.00 0.00 H new ATOM 0 HD21 LEU A 79 12.532 17.364 -2.383 1.00 0.00 H new ATOM 0 HD22 LEU A 79 14.198 17.873 -2.747 1.00 0.00 H new ATOM 0 HD23 LEU A 79 13.693 17.624 -1.059 1.00 0.00 H new ATOM 1193 N GLY A 80 15.899 22.592 -0.348 1.00 0.00 N ATOM 1194 CA GLY A 80 16.868 23.098 0.637 1.00 0.00 C ATOM 1195 C GLY A 80 17.165 22.163 1.829 1.00 0.00 C ATOM 1196 O GLY A 80 18.312 22.091 2.275 1.00 0.00 O ATOM 0 H GLY A 80 16.337 22.374 -1.243 1.00 0.00 H new ATOM 0 HA2 GLY A 80 17.805 23.308 0.122 1.00 0.00 H new ATOM 0 HA3 GLY A 80 16.499 24.047 1.027 1.00 0.00 H new ATOM 1200 N PHE A 81 16.155 21.453 2.343 1.00 0.00 N ATOM 1201 CA PHE A 81 16.221 20.563 3.512 1.00 0.00 C ATOM 1202 C PHE A 81 15.017 19.596 3.526 1.00 0.00 C ATOM 1203 O PHE A 81 13.866 20.032 3.472 1.00 0.00 O ATOM 1204 CB PHE A 81 16.228 21.435 4.780 1.00 0.00 C ATOM 1205 CG PHE A 81 16.331 20.685 6.094 1.00 0.00 C ATOM 1206 CD1 PHE A 81 17.512 19.987 6.419 1.00 0.00 C ATOM 1207 CD2 PHE A 81 15.272 20.733 7.021 1.00 0.00 C ATOM 1208 CE1 PHE A 81 17.633 19.351 7.670 1.00 0.00 C ATOM 1209 CE2 PHE A 81 15.398 20.103 8.273 1.00 0.00 C ATOM 1210 CZ PHE A 81 16.581 19.415 8.600 1.00 0.00 C ATOM 0 H PHE A 81 15.220 21.484 1.935 1.00 0.00 H new ATOM 0 HA PHE A 81 17.128 19.960 3.470 1.00 0.00 H new ATOM 0 HB2 PHE A 81 17.063 22.132 4.714 1.00 0.00 H new ATOM 0 HB3 PHE A 81 15.316 22.031 4.794 1.00 0.00 H new ATOM 0 HD1 PHE A 81 18.324 19.940 5.709 1.00 0.00 H new ATOM 0 HD2 PHE A 81 14.360 21.255 6.770 1.00 0.00 H new ATOM 0 HE1 PHE A 81 18.537 18.813 7.915 1.00 0.00 H new ATOM 0 HE2 PHE A 81 14.586 20.148 8.984 1.00 0.00 H new ATOM 0 HZ PHE A 81 16.680 18.937 9.563 1.00 0.00 H new ATOM 1220 N GLN A 82 15.281 18.285 3.582 1.00 0.00 N ATOM 1221 CA GLN A 82 14.307 17.197 3.398 1.00 0.00 C ATOM 1222 C GLN A 82 14.661 15.918 4.209 1.00 0.00 C ATOM 1223 O GLN A 82 14.736 14.826 3.636 1.00 0.00 O ATOM 1224 CB GLN A 82 14.197 16.904 1.882 1.00 0.00 C ATOM 1225 CG GLN A 82 12.820 16.345 1.480 1.00 0.00 C ATOM 1226 CD GLN A 82 11.686 17.373 1.536 1.00 0.00 C ATOM 1227 OE1 GLN A 82 11.856 18.568 1.337 1.00 0.00 O ATOM 1228 NE2 GLN A 82 10.470 16.942 1.786 1.00 0.00 N ATOM 0 H GLN A 82 16.222 17.936 3.765 1.00 0.00 H new ATOM 0 HA GLN A 82 13.342 17.518 3.790 1.00 0.00 H new ATOM 0 HB2 GLN A 82 14.388 17.821 1.325 1.00 0.00 H new ATOM 0 HB3 GLN A 82 14.971 16.191 1.598 1.00 0.00 H new ATOM 0 HG2 GLN A 82 12.884 15.945 0.468 1.00 0.00 H new ATOM 0 HG3 GLN A 82 12.573 15.511 2.137 1.00 0.00 H new ATOM 0 HE21 GLN A 82 10.305 15.950 1.955 1.00 0.00 H new ATOM 0 HE22 GLN A 82 9.691 17.600 1.811 1.00 0.00 H new ATOM 1237 N PRO A 83 14.880 15.992 5.539 1.00 0.00 N ATOM 1238 CA PRO A 83 15.407 14.880 6.349 1.00 0.00 C ATOM 1239 C PRO A 83 14.576 13.588 6.303 1.00 0.00 C ATOM 1240 O PRO A 83 15.110 12.493 6.486 1.00 0.00 O ATOM 1241 CB PRO A 83 15.480 15.408 7.788 1.00 0.00 C ATOM 1242 CG PRO A 83 14.489 16.570 7.803 1.00 0.00 C ATOM 1243 CD PRO A 83 14.615 17.140 6.392 1.00 0.00 C ATOM 0 HA PRO A 83 16.375 14.586 5.942 1.00 0.00 H new ATOM 0 HB2 PRO A 83 15.205 14.639 8.510 1.00 0.00 H new ATOM 0 HB3 PRO A 83 16.487 15.738 8.042 1.00 0.00 H new ATOM 0 HG2 PRO A 83 13.474 16.233 8.014 1.00 0.00 H new ATOM 0 HG3 PRO A 83 14.744 17.309 8.562 1.00 0.00 H new ATOM 0 HD2 PRO A 83 13.701 17.652 6.091 1.00 0.00 H new ATOM 0 HD3 PRO A 83 15.423 17.869 6.333 1.00 0.00 H new ATOM 1251 N ASN A 84 13.268 13.712 6.062 1.00 0.00 N ATOM 1252 CA ASN A 84 12.329 12.599 5.957 1.00 0.00 C ATOM 1253 C ASN A 84 12.577 11.672 4.747 1.00 0.00 C ATOM 1254 O ASN A 84 12.194 10.499 4.766 1.00 0.00 O ATOM 1255 CB ASN A 84 10.924 13.225 5.881 1.00 0.00 C ATOM 1256 CG ASN A 84 9.830 12.188 5.743 1.00 0.00 C ATOM 1257 OD1 ASN A 84 9.081 12.154 4.778 1.00 0.00 O ATOM 1258 ND2 ASN A 84 9.732 11.298 6.700 1.00 0.00 N ATOM 0 H ASN A 84 12.822 14.620 5.931 1.00 0.00 H new ATOM 0 HA ASN A 84 12.453 11.951 6.825 1.00 0.00 H new ATOM 0 HB2 ASN A 84 10.746 13.818 6.778 1.00 0.00 H new ATOM 0 HB3 ASN A 84 10.880 13.908 5.033 1.00 0.00 H new ATOM 0 HD21 ASN A 84 9.024 10.566 6.645 1.00 0.00 H new ATOM 0 HD22 ASN A 84 10.363 11.338 7.500 1.00 0.00 H new ATOM 1265 N LEU A 85 13.179 12.195 3.678 1.00 0.00 N ATOM 1266 CA LEU A 85 13.286 11.510 2.393 1.00 0.00 C ATOM 1267 C LEU A 85 14.385 10.432 2.389 1.00 0.00 C ATOM 1268 O LEU A 85 15.456 10.615 2.967 1.00 0.00 O ATOM 1269 CB LEU A 85 13.469 12.596 1.328 1.00 0.00 C ATOM 1270 CG LEU A 85 13.440 12.119 -0.136 1.00 0.00 C ATOM 1271 CD1 LEU A 85 12.172 11.335 -0.473 1.00 0.00 C ATOM 1272 CD2 LEU A 85 13.492 13.343 -1.048 1.00 0.00 C ATOM 0 H LEU A 85 13.611 13.119 3.682 1.00 0.00 H new ATOM 0 HA LEU A 85 12.382 10.942 2.176 1.00 0.00 H new ATOM 0 HB2 LEU A 85 12.686 13.343 1.461 1.00 0.00 H new ATOM 0 HB3 LEU A 85 14.421 13.096 1.507 1.00 0.00 H new ATOM 0 HG LEU A 85 14.296 11.460 -0.283 1.00 0.00 H new ATOM 0 HD11 LEU A 85 12.204 11.023 -1.517 1.00 0.00 H new ATOM 0 HD12 LEU A 85 12.107 10.455 0.167 1.00 0.00 H new ATOM 0 HD13 LEU A 85 11.299 11.967 -0.310 1.00 0.00 H new ATOM 0 HD21 LEU A 85 13.472 13.022 -2.089 1.00 0.00 H new ATOM 0 HD22 LEU A 85 12.632 13.982 -0.849 1.00 0.00 H new ATOM 0 HD23 LEU A 85 14.409 13.900 -0.857 1.00 0.00 H new ATOM 1284 N ARG A 86 14.118 9.309 1.715 1.00 0.00 N ATOM 1285 CA ARG A 86 14.925 8.082 1.685 1.00 0.00 C ATOM 1286 C ARG A 86 14.988 7.533 0.266 1.00 0.00 C ATOM 1287 O ARG A 86 14.026 7.658 -0.492 1.00 0.00 O ATOM 1288 CB ARG A 86 14.278 7.044 2.609 1.00 0.00 C ATOM 1289 CG ARG A 86 14.474 7.341 4.101 1.00 0.00 C ATOM 1290 CD ARG A 86 13.410 6.639 4.956 1.00 0.00 C ATOM 1291 NE ARG A 86 12.054 7.156 4.663 1.00 0.00 N ATOM 1292 CZ ARG A 86 10.927 6.838 5.271 1.00 0.00 C ATOM 1293 NH1 ARG A 86 10.888 5.982 6.251 1.00 0.00 N1+ ATOM 1294 NH2 ARG A 86 9.803 7.384 4.899 1.00 0.00 N ATOM 0 H ARG A 86 13.280 9.226 1.139 1.00 0.00 H new ATOM 0 HA ARG A 86 15.938 8.302 2.021 1.00 0.00 H new ATOM 0 HB2 ARG A 86 13.210 6.995 2.394 1.00 0.00 H new ATOM 0 HB3 ARG A 86 14.694 6.062 2.385 1.00 0.00 H new ATOM 0 HG2 ARG A 86 15.466 7.014 4.411 1.00 0.00 H new ATOM 0 HG3 ARG A 86 14.426 8.417 4.269 1.00 0.00 H new ATOM 0 HD2 ARG A 86 13.440 5.566 4.768 1.00 0.00 H new ATOM 0 HD3 ARG A 86 13.636 6.784 6.012 1.00 0.00 H new ATOM 0 HE ARG A 86 11.983 7.835 3.905 1.00 0.00 H new ATOM 0 HH11 ARG A 86 11.747 5.534 6.571 1.00 0.00 H new ATOM 0 HH12 ARG A 86 9.999 5.759 6.699 1.00 0.00 H new ATOM 0 HH21 ARG A 86 9.793 8.060 4.135 1.00 0.00 H new ATOM 0 HH22 ARG A 86 8.934 7.135 5.372 1.00 0.00 H new ATOM 1308 N TYR A 87 16.127 6.941 -0.087 1.00 0.00 N ATOM 1309 CA TYR A 87 16.409 6.576 -1.477 1.00 0.00 C ATOM 1310 C TYR A 87 17.510 5.523 -1.688 1.00 0.00 C ATOM 1311 O TYR A 87 17.991 4.904 -0.736 1.00 0.00 O ATOM 1312 CB TYR A 87 16.709 7.884 -2.242 1.00 0.00 C ATOM 1313 CG TYR A 87 18.043 8.522 -1.952 1.00 0.00 C ATOM 1314 CD1 TYR A 87 18.225 9.334 -0.813 1.00 0.00 C ATOM 1315 CD2 TYR A 87 19.098 8.316 -2.855 1.00 0.00 C ATOM 1316 CE1 TYR A 87 19.483 9.915 -0.559 1.00 0.00 C ATOM 1317 CE2 TYR A 87 20.350 8.889 -2.593 1.00 0.00 C ATOM 1318 CZ TYR A 87 20.554 9.682 -1.448 1.00 0.00 C ATOM 1319 OH TYR A 87 21.792 10.157 -1.168 1.00 0.00 O ATOM 0 H TYR A 87 16.871 6.703 0.569 1.00 0.00 H new ATOM 0 HA TYR A 87 15.526 6.070 -1.867 1.00 0.00 H new ATOM 0 HB2 TYR A 87 16.650 7.679 -3.311 1.00 0.00 H new ATOM 0 HB3 TYR A 87 15.925 8.605 -2.012 1.00 0.00 H new ATOM 0 HD1 TYR A 87 17.401 9.510 -0.137 1.00 0.00 H new ATOM 0 HD2 TYR A 87 18.946 7.721 -3.744 1.00 0.00 H new ATOM 0 HE1 TYR A 87 19.627 10.536 0.313 1.00 0.00 H new ATOM 0 HE2 TYR A 87 21.168 8.720 -3.278 1.00 0.00 H new ATOM 0 HH TYR A 87 22.378 10.017 -1.941 1.00 0.00 H new ATOM 1329 N GLY A 88 17.897 5.322 -2.951 1.00 0.00 N ATOM 1330 CA GLY A 88 19.024 4.508 -3.406 1.00 0.00 C ATOM 1331 C GLY A 88 19.490 4.963 -4.796 1.00 0.00 C ATOM 1332 O GLY A 88 18.790 5.732 -5.461 1.00 0.00 O ATOM 0 H GLY A 88 17.399 5.751 -3.731 1.00 0.00 H new ATOM 0 HA2 GLY A 88 19.847 4.587 -2.696 1.00 0.00 H new ATOM 0 HA3 GLY A 88 18.732 3.458 -3.440 1.00 0.00 H new ATOM 1336 N VAL A 89 20.682 4.538 -5.231 1.00 0.00 N ATOM 1337 CA VAL A 89 21.335 5.072 -6.444 1.00 0.00 C ATOM 1338 C VAL A 89 22.013 3.988 -7.269 1.00 0.00 C ATOM 1339 O VAL A 89 22.796 3.178 -6.767 1.00 0.00 O ATOM 1340 CB VAL A 89 22.407 6.135 -6.109 1.00 0.00 C ATOM 1341 CG1 VAL A 89 23.029 6.784 -7.357 1.00 0.00 C ATOM 1342 CG2 VAL A 89 21.821 7.262 -5.269 1.00 0.00 C ATOM 0 H VAL A 89 21.225 3.816 -4.757 1.00 0.00 H new ATOM 0 HA VAL A 89 20.525 5.521 -7.020 1.00 0.00 H new ATOM 0 HB VAL A 89 23.178 5.592 -5.563 1.00 0.00 H new ATOM 0 HG11 VAL A 89 23.773 7.520 -7.052 1.00 0.00 H new ATOM 0 HG12 VAL A 89 23.506 6.017 -7.966 1.00 0.00 H new ATOM 0 HG13 VAL A 89 22.249 7.276 -7.938 1.00 0.00 H new ATOM 0 HG21 VAL A 89 22.598 7.994 -5.049 1.00 0.00 H new ATOM 0 HG22 VAL A 89 21.014 7.744 -5.820 1.00 0.00 H new ATOM 0 HG23 VAL A 89 21.431 6.855 -4.336 1.00 0.00 H new ATOM 1352 N ILE A 90 21.777 4.072 -8.572 1.00 0.00 N ATOM 1353 CA ILE A 90 22.456 3.320 -9.614 1.00 0.00 C ATOM 1354 C ILE A 90 23.142 4.373 -10.488 1.00 0.00 C ATOM 1355 O ILE A 90 22.486 5.231 -11.085 1.00 0.00 O ATOM 1356 CB ILE A 90 21.441 2.466 -10.389 1.00 0.00 C ATOM 1357 CG1 ILE A 90 20.807 1.409 -9.453 1.00 0.00 C ATOM 1358 CG2 ILE A 90 22.143 1.828 -11.601 1.00 0.00 C ATOM 1359 CD1 ILE A 90 19.680 0.607 -10.100 1.00 0.00 C ATOM 0 H ILE A 90 21.068 4.701 -8.948 1.00 0.00 H new ATOM 0 HA ILE A 90 23.192 2.616 -9.226 1.00 0.00 H new ATOM 0 HB ILE A 90 20.627 3.089 -10.759 1.00 0.00 H new ATOM 0 HG12 ILE A 90 21.584 0.721 -9.119 1.00 0.00 H new ATOM 0 HG13 ILE A 90 20.421 1.909 -8.565 1.00 0.00 H new ATOM 0 HG21 ILE A 90 21.429 1.220 -12.157 1.00 0.00 H new ATOM 0 HG22 ILE A 90 22.534 2.612 -12.249 1.00 0.00 H new ATOM 0 HG23 ILE A 90 22.964 1.199 -11.257 1.00 0.00 H new ATOM 0 HD11 ILE A 90 19.287 -0.113 -9.382 1.00 0.00 H new ATOM 0 HD12 ILE A 90 18.883 1.283 -10.409 1.00 0.00 H new ATOM 0 HD13 ILE A 90 20.064 0.077 -10.971 1.00 0.00 H new ATOM 1371 N ALA A 91 24.469 4.333 -10.551 1.00 0.00 N ATOM 1372 CA ALA A 91 25.273 5.258 -11.336 1.00 0.00 C ATOM 1373 C ALA A 91 26.022 4.501 -12.443 1.00 0.00 C ATOM 1374 O ALA A 91 26.375 3.327 -12.298 1.00 0.00 O ATOM 1375 CB ALA A 91 26.194 6.039 -10.391 1.00 0.00 C ATOM 0 H ALA A 91 25.025 3.642 -10.047 1.00 0.00 H new ATOM 0 HA ALA A 91 24.643 5.986 -11.847 1.00 0.00 H new ATOM 0 HB1 ALA A 91 26.802 6.736 -10.969 1.00 0.00 H new ATOM 0 HB2 ALA A 91 25.591 6.593 -9.671 1.00 0.00 H new ATOM 0 HB3 ALA A 91 26.845 5.344 -9.860 1.00 0.00 H new ATOM 1381 N LEU A 92 26.239 5.175 -13.571 1.00 0.00 N ATOM 1382 CA LEU A 92 26.733 4.551 -14.795 1.00 0.00 C ATOM 1383 C LEU A 92 27.754 5.432 -15.518 1.00 0.00 C ATOM 1384 O LEU A 92 27.724 6.665 -15.450 1.00 0.00 O ATOM 1385 CB LEU A 92 25.488 4.188 -15.645 1.00 0.00 C ATOM 1386 CG LEU A 92 25.749 3.420 -16.958 1.00 0.00 C ATOM 1387 CD1 LEU A 92 24.562 2.521 -17.298 1.00 0.00 C ATOM 1388 CD2 LEU A 92 25.913 4.348 -18.161 1.00 0.00 C ATOM 0 H LEU A 92 26.075 6.178 -13.661 1.00 0.00 H new ATOM 0 HA LEU A 92 27.294 3.641 -14.579 1.00 0.00 H new ATOM 0 HB2 LEU A 92 24.817 3.590 -15.028 1.00 0.00 H new ATOM 0 HB3 LEU A 92 24.961 5.110 -15.889 1.00 0.00 H new ATOM 0 HG LEU A 92 26.665 2.856 -16.784 1.00 0.00 H new ATOM 0 HD11 LEU A 92 24.764 1.987 -18.227 1.00 0.00 H new ATOM 0 HD12 LEU A 92 24.407 1.803 -16.493 1.00 0.00 H new ATOM 0 HD13 LEU A 92 23.666 3.131 -17.417 1.00 0.00 H new ATOM 0 HD21 LEU A 92 26.094 3.754 -19.057 1.00 0.00 H new ATOM 0 HD22 LEU A 92 25.005 4.936 -18.293 1.00 0.00 H new ATOM 0 HD23 LEU A 92 26.757 5.017 -17.992 1.00 0.00 H new ATOM 1400 N GLY A 93 28.652 4.774 -16.237 1.00 0.00 N ATOM 1401 CA GLY A 93 29.568 5.408 -17.165 1.00 0.00 C ATOM 1402 C GLY A 93 30.607 4.411 -17.684 1.00 0.00 C ATOM 1403 O GLY A 93 30.264 3.293 -18.070 1.00 0.00 O ATOM 0 H GLY A 93 28.764 3.761 -16.188 1.00 0.00 H new ATOM 0 HA2 GLY A 93 29.010 5.825 -18.003 1.00 0.00 H new ATOM 0 HA3 GLY A 93 30.072 6.239 -16.672 1.00 0.00 H new ATOM 1407 N ASP A 94 31.878 4.810 -17.690 1.00 0.00 N ATOM 1408 CA ASP A 94 32.998 3.998 -18.169 1.00 0.00 C ATOM 1409 C ASP A 94 34.263 4.198 -17.312 1.00 0.00 C ATOM 1410 O ASP A 94 34.641 5.329 -16.991 1.00 0.00 O ATOM 1411 CB ASP A 94 33.263 4.350 -19.636 1.00 0.00 C ATOM 1412 CG ASP A 94 34.225 3.349 -20.281 1.00 0.00 C ATOM 1413 OD1 ASP A 94 35.429 3.383 -19.952 1.00 0.00 O1- ATOM 1414 OD2 ASP A 94 33.787 2.536 -21.127 1.00 0.00 O ATOM 0 H ASP A 94 32.166 5.729 -17.354 1.00 0.00 H new ATOM 0 HA ASP A 94 32.734 2.944 -18.083 1.00 0.00 H new ATOM 0 HB2 ASP A 94 32.322 4.360 -20.186 1.00 0.00 H new ATOM 0 HB3 ASP A 94 33.681 5.354 -19.702 1.00 0.00 H new ATOM 1419 N SER A 95 34.915 3.100 -16.923 1.00 0.00 N ATOM 1420 CA SER A 95 36.106 3.078 -16.056 1.00 0.00 C ATOM 1421 C SER A 95 37.391 3.662 -16.673 1.00 0.00 C ATOM 1422 O SER A 95 38.389 3.815 -15.963 1.00 0.00 O ATOM 1423 CB SER A 95 36.375 1.649 -15.566 1.00 0.00 C ATOM 1424 OG SER A 95 36.645 0.771 -16.640 1.00 0.00 O ATOM 0 H SER A 95 34.622 2.166 -17.211 1.00 0.00 H new ATOM 0 HA SER A 95 35.857 3.742 -15.228 1.00 0.00 H new ATOM 0 HB2 SER A 95 37.220 1.653 -14.878 1.00 0.00 H new ATOM 0 HB3 SER A 95 35.512 1.287 -15.008 1.00 0.00 H new ATOM 0 HG SER A 95 36.049 -0.005 -16.586 1.00 0.00 H new ATOM 1430 N SER A 96 37.390 4.028 -17.961 1.00 0.00 N ATOM 1431 CA SER A 96 38.543 4.610 -18.681 1.00 0.00 C ATOM 1432 C SER A 96 38.942 6.035 -18.234 1.00 0.00 C ATOM 1433 O SER A 96 39.850 6.632 -18.818 1.00 0.00 O ATOM 1434 CB SER A 96 38.285 4.630 -20.197 1.00 0.00 C ATOM 1435 OG SER A 96 37.886 3.358 -20.669 1.00 0.00 O ATOM 0 H SER A 96 36.566 3.927 -18.553 1.00 0.00 H new ATOM 0 HA SER A 96 39.377 3.955 -18.427 1.00 0.00 H new ATOM 0 HB2 SER A 96 37.512 5.364 -20.427 1.00 0.00 H new ATOM 0 HB3 SER A 96 39.189 4.946 -20.717 1.00 0.00 H new ATOM 0 HG SER A 96 36.913 3.344 -20.788 1.00 0.00 H new ATOM 1441 N TYR A 97 38.278 6.592 -17.216 1.00 0.00 N ATOM 1442 CA TYR A 97 38.392 7.990 -16.778 1.00 0.00 C ATOM 1443 C TYR A 97 38.468 8.103 -15.244 1.00 0.00 C ATOM 1444 O TYR A 97 37.927 7.264 -14.520 1.00 0.00 O ATOM 1445 CB TYR A 97 37.156 8.759 -17.266 1.00 0.00 C ATOM 1446 CG TYR A 97 36.855 8.704 -18.756 1.00 0.00 C ATOM 1447 CD1 TYR A 97 36.023 7.687 -19.269 1.00 0.00 C ATOM 1448 CD2 TYR A 97 37.353 9.705 -19.617 1.00 0.00 C ATOM 1449 CE1 TYR A 97 35.687 7.667 -20.635 1.00 0.00 C ATOM 1450 CE2 TYR A 97 37.017 9.690 -20.987 1.00 0.00 C ATOM 1451 CZ TYR A 97 36.179 8.672 -21.496 1.00 0.00 C ATOM 1452 OH TYR A 97 35.849 8.651 -22.816 1.00 0.00 O ATOM 0 H TYR A 97 37.618 6.059 -16.650 1.00 0.00 H new ATOM 0 HA TYR A 97 39.309 8.405 -17.196 1.00 0.00 H new ATOM 0 HB2 TYR A 97 36.286 8.379 -16.730 1.00 0.00 H new ATOM 0 HB3 TYR A 97 37.273 9.805 -16.982 1.00 0.00 H new ATOM 0 HD1 TYR A 97 35.642 6.920 -18.610 1.00 0.00 H new ATOM 0 HD2 TYR A 97 37.992 10.483 -19.227 1.00 0.00 H new ATOM 0 HE1 TYR A 97 35.053 6.884 -21.025 1.00 0.00 H new ATOM 0 HE2 TYR A 97 37.400 10.455 -21.646 1.00 0.00 H new ATOM 0 HH TYR A 97 36.268 9.412 -23.270 1.00 0.00 H new ATOM 1462 N VAL A 98 39.078 9.187 -14.737 1.00 0.00 N ATOM 1463 CA VAL A 98 39.166 9.476 -13.286 1.00 0.00 C ATOM 1464 C VAL A 98 37.795 9.664 -12.632 1.00 0.00 C ATOM 1465 O VAL A 98 37.578 9.220 -11.503 1.00 0.00 O ATOM 1466 CB VAL A 98 40.074 10.693 -13.019 1.00 0.00 C ATOM 1467 CG1 VAL A 98 39.513 12.036 -13.507 1.00 0.00 C ATOM 1468 CG2 VAL A 98 40.454 10.821 -11.542 1.00 0.00 C ATOM 0 H VAL A 98 39.527 9.893 -15.320 1.00 0.00 H new ATOM 0 HA VAL A 98 39.615 8.597 -12.822 1.00 0.00 H new ATOM 0 HB VAL A 98 40.962 10.480 -13.615 1.00 0.00 H new ATOM 0 HG11 VAL A 98 40.221 12.832 -13.275 1.00 0.00 H new ATOM 0 HG12 VAL A 98 39.354 11.994 -14.585 1.00 0.00 H new ATOM 0 HG13 VAL A 98 38.565 12.237 -13.008 1.00 0.00 H new ATOM 0 HG21 VAL A 98 41.094 11.693 -11.405 1.00 0.00 H new ATOM 0 HG22 VAL A 98 39.551 10.936 -10.943 1.00 0.00 H new ATOM 0 HG23 VAL A 98 40.988 9.925 -11.225 1.00 0.00 H new ATOM 1478 N ASN A 99 36.847 10.274 -13.352 1.00 0.00 N ATOM 1479 CA ASN A 99 35.512 10.590 -12.839 1.00 0.00 C ATOM 1480 C ASN A 99 34.543 9.403 -12.987 1.00 0.00 C ATOM 1481 O ASN A 99 33.427 9.567 -13.486 1.00 0.00 O ATOM 1482 CB ASN A 99 34.985 11.869 -13.526 1.00 0.00 C ATOM 1483 CG ASN A 99 35.723 13.126 -13.085 1.00 0.00 C ATOM 1484 OD1 ASN A 99 35.942 13.364 -11.906 1.00 0.00 O ATOM 1485 ND2 ASN A 99 36.137 13.966 -14.008 1.00 0.00 N ATOM 0 H ASN A 99 36.988 10.565 -14.319 1.00 0.00 H new ATOM 0 HA ASN A 99 35.583 10.781 -11.768 1.00 0.00 H new ATOM 0 HB2 ASN A 99 35.078 11.760 -14.606 1.00 0.00 H new ATOM 0 HB3 ASN A 99 33.923 11.982 -13.307 1.00 0.00 H new ATOM 0 HD21 ASN A 99 36.639 14.812 -13.739 1.00 0.00 H new ATOM 0 HD22 ASN A 99 35.956 13.771 -14.993 1.00 0.00 H new ATOM 1492 N PHE A 100 34.963 8.181 -12.650 1.00 0.00 N ATOM 1493 CA PHE A 100 34.144 6.976 -12.823 1.00 0.00 C ATOM 1494 C PHE A 100 32.763 7.115 -12.152 1.00 0.00 C ATOM 1495 O PHE A 100 32.649 7.286 -10.937 1.00 0.00 O ATOM 1496 CB PHE A 100 34.899 5.732 -12.339 1.00 0.00 C ATOM 1497 CG PHE A 100 34.109 4.447 -12.516 1.00 0.00 C ATOM 1498 CD1 PHE A 100 33.569 4.115 -13.776 1.00 0.00 C ATOM 1499 CD2 PHE A 100 33.886 3.590 -11.421 1.00 0.00 C ATOM 1500 CE1 PHE A 100 32.810 2.945 -13.941 1.00 0.00 C ATOM 1501 CE2 PHE A 100 33.122 2.420 -11.584 1.00 0.00 C ATOM 1502 CZ PHE A 100 32.576 2.101 -12.839 1.00 0.00 C ATOM 0 H PHE A 100 35.883 7.998 -12.248 1.00 0.00 H new ATOM 0 HA PHE A 100 33.954 6.853 -13.889 1.00 0.00 H new ATOM 0 HB2 PHE A 100 35.840 5.651 -12.884 1.00 0.00 H new ATOM 0 HB3 PHE A 100 35.150 5.854 -11.285 1.00 0.00 H new ATOM 0 HD1 PHE A 100 33.741 4.766 -14.621 1.00 0.00 H new ATOM 0 HD2 PHE A 100 34.302 3.831 -10.454 1.00 0.00 H new ATOM 0 HE1 PHE A 100 32.407 2.693 -14.911 1.00 0.00 H new ATOM 0 HE2 PHE A 100 32.955 1.765 -10.742 1.00 0.00 H new ATOM 0 HZ PHE A 100 31.978 1.210 -12.958 1.00 0.00 H new ATOM 1512 N CYS A 101 31.718 7.074 -12.979 1.00 0.00 N ATOM 1513 CA CYS A 101 30.311 7.342 -12.668 1.00 0.00 C ATOM 1514 C CYS A 101 29.997 8.658 -11.926 1.00 0.00 C ATOM 1515 O CYS A 101 28.959 8.763 -11.268 1.00 0.00 O ATOM 1516 CB CYS A 101 29.698 6.109 -11.972 1.00 0.00 C ATOM 1517 SG CYS A 101 29.922 4.583 -12.927 1.00 0.00 S ATOM 0 H CYS A 101 31.842 6.833 -13.962 1.00 0.00 H new ATOM 0 HA CYS A 101 29.830 7.515 -13.631 1.00 0.00 H new ATOM 0 HB2 CYS A 101 30.153 5.988 -10.989 1.00 0.00 H new ATOM 0 HB3 CYS A 101 28.633 6.279 -11.811 1.00 0.00 H new ATOM 0 HG CYS A 101 31.191 4.368 -13.109 1.00 0.00 H new ATOM 1523 N ASN A 102 30.852 9.682 -12.019 1.00 0.00 N ATOM 1524 CA ASN A 102 30.669 10.929 -11.262 1.00 0.00 C ATOM 1525 C ASN A 102 29.360 11.679 -11.590 1.00 0.00 C ATOM 1526 O ASN A 102 28.818 12.353 -10.721 1.00 0.00 O ATOM 1527 CB ASN A 102 31.893 11.832 -11.442 1.00 0.00 C ATOM 1528 CG ASN A 102 31.910 12.976 -10.436 1.00 0.00 C ATOM 1529 OD1 ASN A 102 31.949 12.769 -9.232 1.00 0.00 O ATOM 1530 ND2 ASN A 102 31.885 14.208 -10.889 1.00 0.00 N ATOM 0 H ASN A 102 31.681 9.673 -12.613 1.00 0.00 H new ATOM 0 HA ASN A 102 30.575 10.647 -10.213 1.00 0.00 H new ATOM 0 HB2 ASN A 102 32.801 11.239 -11.332 1.00 0.00 H new ATOM 0 HB3 ASN A 102 31.898 12.238 -12.453 1.00 0.00 H new ATOM 0 HD21 ASN A 102 31.898 14.992 -10.236 1.00 0.00 H new ATOM 0 HD22 ASN A 102 31.852 14.381 -11.894 1.00 0.00 H new ATOM 1537 N GLY A 103 28.804 11.506 -12.795 1.00 0.00 N ATOM 1538 CA GLY A 103 27.516 12.094 -13.182 1.00 0.00 C ATOM 1539 C GLY A 103 26.341 11.611 -12.319 1.00 0.00 C ATOM 1540 O GLY A 103 25.423 12.385 -12.050 1.00 0.00 O ATOM 0 H GLY A 103 29.237 10.951 -13.533 1.00 0.00 H new ATOM 0 HA2 GLY A 103 27.585 13.180 -13.113 1.00 0.00 H new ATOM 0 HA3 GLY A 103 27.314 11.853 -14.226 1.00 0.00 H new ATOM 1544 N GLY A 104 26.406 10.378 -11.798 1.00 0.00 N ATOM 1545 CA GLY A 104 25.461 9.870 -10.794 1.00 0.00 C ATOM 1546 C GLY A 104 25.846 10.246 -9.358 1.00 0.00 C ATOM 1547 O GLY A 104 24.986 10.640 -8.576 1.00 0.00 O ATOM 0 H GLY A 104 27.121 9.700 -12.063 1.00 0.00 H new ATOM 0 HA2 GLY A 104 24.466 10.260 -11.011 1.00 0.00 H new ATOM 0 HA3 GLY A 104 25.403 8.785 -10.875 1.00 0.00 H new ATOM 1551 N LYS A 105 27.145 10.225 -9.016 1.00 0.00 N ATOM 1552 CA LYS A 105 27.644 10.638 -7.682 1.00 0.00 C ATOM 1553 C LYS A 105 27.320 12.093 -7.332 1.00 0.00 C ATOM 1554 O LYS A 105 26.982 12.374 -6.186 1.00 0.00 O ATOM 1555 CB LYS A 105 29.156 10.393 -7.562 1.00 0.00 C ATOM 1556 CG LYS A 105 29.504 8.896 -7.600 1.00 0.00 C ATOM 1557 CD LYS A 105 31.016 8.666 -7.748 1.00 0.00 C ATOM 1558 CE LYS A 105 31.334 7.163 -7.688 1.00 0.00 C ATOM 1559 NZ LYS A 105 32.754 6.893 -8.058 1.00 0.00 N1+ ATOM 0 H LYS A 105 27.883 9.922 -9.652 1.00 0.00 H new ATOM 0 HA LYS A 105 27.114 10.015 -6.961 1.00 0.00 H new ATOM 0 HB2 LYS A 105 29.671 10.905 -8.374 1.00 0.00 H new ATOM 0 HB3 LYS A 105 29.520 10.826 -6.630 1.00 0.00 H new ATOM 0 HG2 LYS A 105 29.151 8.417 -6.687 1.00 0.00 H new ATOM 0 HG3 LYS A 105 28.981 8.422 -8.431 1.00 0.00 H new ATOM 0 HD2 LYS A 105 31.363 9.081 -8.694 1.00 0.00 H new ATOM 0 HD3 LYS A 105 31.550 9.190 -6.955 1.00 0.00 H new ATOM 0 HE2 LYS A 105 31.141 6.788 -6.683 1.00 0.00 H new ATOM 0 HE3 LYS A 105 30.671 6.622 -8.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 33.010 5.927 -7.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 32.869 6.989 -9.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 33.374 7.575 -7.576 1.00 0.00 H new ATOM 1573 N GLN A 106 27.328 13.000 -8.311 1.00 0.00 N ATOM 1574 CA GLN A 106 26.844 14.379 -8.144 1.00 0.00 C ATOM 1575 C GLN A 106 25.365 14.435 -7.722 1.00 0.00 C ATOM 1576 O GLN A 106 24.999 15.247 -6.875 1.00 0.00 O ATOM 1577 CB GLN A 106 27.051 15.167 -9.447 1.00 0.00 C ATOM 1578 CG GLN A 106 28.525 15.542 -9.677 1.00 0.00 C ATOM 1579 CD GLN A 106 28.763 16.218 -11.030 1.00 0.00 C ATOM 1580 OE1 GLN A 106 28.129 15.926 -12.035 1.00 0.00 O ATOM 1581 NE2 GLN A 106 29.690 17.147 -11.116 1.00 0.00 N ATOM 0 H GLN A 106 27.672 12.800 -9.250 1.00 0.00 H new ATOM 0 HA GLN A 106 27.425 14.833 -7.341 1.00 0.00 H new ATOM 0 HB2 GLN A 106 26.694 14.573 -10.288 1.00 0.00 H new ATOM 0 HB3 GLN A 106 26.448 16.075 -9.419 1.00 0.00 H new ATOM 0 HG2 GLN A 106 28.854 16.209 -8.880 1.00 0.00 H new ATOM 0 HG3 GLN A 106 29.138 14.643 -9.613 1.00 0.00 H new ATOM 0 HE21 GLN A 106 30.230 17.406 -10.291 1.00 0.00 H new ATOM 0 HE22 GLN A 106 29.868 17.608 -12.008 1.00 0.00 H new ATOM 1590 N PHE A 107 24.513 13.546 -8.248 1.00 0.00 N ATOM 1591 CA PHE A 107 23.114 13.455 -7.823 1.00 0.00 C ATOM 1592 C PHE A 107 22.959 12.780 -6.443 1.00 0.00 C ATOM 1593 O PHE A 107 22.101 13.180 -5.663 1.00 0.00 O ATOM 1594 CB PHE A 107 22.279 12.772 -8.915 1.00 0.00 C ATOM 1595 CG PHE A 107 20.820 13.192 -8.887 1.00 0.00 C ATOM 1596 CD1 PHE A 107 19.946 12.652 -7.927 1.00 0.00 C ATOM 1597 CD2 PHE A 107 20.342 14.162 -9.789 1.00 0.00 C ATOM 1598 CE1 PHE A 107 18.600 13.045 -7.888 1.00 0.00 C ATOM 1599 CE2 PHE A 107 18.998 14.577 -9.735 1.00 0.00 C ATOM 1600 CZ PHE A 107 18.124 14.001 -8.797 1.00 0.00 C ATOM 0 H PHE A 107 24.772 12.877 -8.973 1.00 0.00 H new ATOM 0 HA PHE A 107 22.731 14.467 -7.690 1.00 0.00 H new ATOM 0 HB2 PHE A 107 22.702 13.009 -9.891 1.00 0.00 H new ATOM 0 HB3 PHE A 107 22.344 11.691 -8.793 1.00 0.00 H new ATOM 0 HD1 PHE A 107 20.314 11.929 -7.214 1.00 0.00 H new ATOM 0 HD2 PHE A 107 21.008 14.589 -10.524 1.00 0.00 H new ATOM 0 HE1 PHE A 107 17.931 12.612 -7.159 1.00 0.00 H new ATOM 0 HE2 PHE A 107 18.639 15.337 -10.413 1.00 0.00 H new ATOM 0 HZ PHE A 107 17.085 14.295 -8.776 1.00 0.00 H new ATOM 1610 N ASP A 108 23.802 11.811 -6.069 1.00 0.00 N ATOM 1611 CA ASP A 108 23.818 11.315 -4.680 1.00 0.00 C ATOM 1612 C ASP A 108 24.201 12.443 -3.696 1.00 0.00 C ATOM 1613 O ASP A 108 23.531 12.650 -2.682 1.00 0.00 O ATOM 1614 CB ASP A 108 24.765 10.117 -4.557 1.00 0.00 C ATOM 1615 CG ASP A 108 24.705 9.464 -3.165 1.00 0.00 C ATOM 1616 OD1 ASP A 108 23.608 9.037 -2.731 1.00 0.00 O1- ATOM 1617 OD2 ASP A 108 25.767 9.309 -2.520 1.00 0.00 O ATOM 0 H ASP A 108 24.472 11.359 -6.692 1.00 0.00 H new ATOM 0 HA ASP A 108 22.814 10.981 -4.416 1.00 0.00 H new ATOM 0 HB2 ASP A 108 24.510 9.376 -5.315 1.00 0.00 H new ATOM 0 HB3 ASP A 108 25.786 10.441 -4.760 1.00 0.00 H new ATOM 1622 N ALA A 109 25.219 13.244 -4.041 1.00 0.00 N ATOM 1623 CA ALA A 109 25.602 14.440 -3.291 1.00 0.00 C ATOM 1624 C ALA A 109 24.468 15.486 -3.166 1.00 0.00 C ATOM 1625 O ALA A 109 24.247 15.977 -2.059 1.00 0.00 O ATOM 1626 CB ALA A 109 26.867 15.046 -3.906 1.00 0.00 C ATOM 0 H ALA A 109 25.804 13.074 -4.859 1.00 0.00 H new ATOM 0 HA ALA A 109 25.809 14.128 -2.267 1.00 0.00 H new ATOM 0 HB1 ALA A 109 27.152 15.937 -3.347 1.00 0.00 H new ATOM 0 HB2 ALA A 109 27.677 14.317 -3.865 1.00 0.00 H new ATOM 0 HB3 ALA A 109 26.674 15.315 -4.944 1.00 0.00 H new ATOM 1632 N LEU A 110 23.716 15.779 -4.244 1.00 0.00 N ATOM 1633 CA LEU A 110 22.536 16.675 -4.252 1.00 0.00 C ATOM 1634 C LEU A 110 21.584 16.382 -3.085 1.00 0.00 C ATOM 1635 O LEU A 110 21.091 17.297 -2.422 1.00 0.00 O ATOM 1636 CB LEU A 110 21.776 16.486 -5.585 1.00 0.00 C ATOM 1637 CG LEU A 110 20.479 17.298 -5.786 1.00 0.00 C ATOM 1638 CD1 LEU A 110 20.782 18.750 -6.105 1.00 0.00 C ATOM 1639 CD2 LEU A 110 19.650 16.661 -6.908 1.00 0.00 C ATOM 0 H LEU A 110 23.917 15.388 -5.164 1.00 0.00 H new ATOM 0 HA LEU A 110 22.889 17.701 -4.145 1.00 0.00 H new ATOM 0 HB2 LEU A 110 22.457 16.733 -6.399 1.00 0.00 H new ATOM 0 HB3 LEU A 110 21.530 15.429 -5.685 1.00 0.00 H new ATOM 0 HG LEU A 110 19.908 17.280 -4.858 1.00 0.00 H new ATOM 0 HD11 LEU A 110 19.848 19.295 -6.241 1.00 0.00 H new ATOM 0 HD12 LEU A 110 21.345 19.193 -5.283 1.00 0.00 H new ATOM 0 HD13 LEU A 110 21.371 18.806 -7.020 1.00 0.00 H new ATOM 0 HD21 LEU A 110 18.733 17.232 -7.052 1.00 0.00 H new ATOM 0 HD22 LEU A 110 20.227 16.662 -7.832 1.00 0.00 H new ATOM 0 HD23 LEU A 110 19.399 15.635 -6.638 1.00 0.00 H new ATOM 1651 N LEU A 111 21.335 15.093 -2.847 1.00 0.00 N ATOM 1652 CA LEU A 111 20.416 14.589 -1.831 1.00 0.00 C ATOM 1653 C LEU A 111 21.004 14.674 -0.414 1.00 0.00 C ATOM 1654 O LEU A 111 20.256 14.900 0.538 1.00 0.00 O ATOM 1655 CB LEU A 111 19.959 13.176 -2.241 1.00 0.00 C ATOM 1656 CG LEU A 111 19.278 13.133 -3.629 1.00 0.00 C ATOM 1657 CD1 LEU A 111 18.907 11.700 -3.997 1.00 0.00 C ATOM 1658 CD2 LEU A 111 18.024 14.008 -3.687 1.00 0.00 C ATOM 0 H LEU A 111 21.785 14.347 -3.377 1.00 0.00 H new ATOM 0 HA LEU A 111 19.533 15.226 -1.782 1.00 0.00 H new ATOM 0 HB2 LEU A 111 20.822 12.510 -2.246 1.00 0.00 H new ATOM 0 HB3 LEU A 111 19.266 12.794 -1.492 1.00 0.00 H new ATOM 0 HG LEU A 111 19.999 13.527 -4.345 1.00 0.00 H new ATOM 0 HD11 LEU A 111 18.429 11.688 -4.976 1.00 0.00 H new ATOM 0 HD12 LEU A 111 19.808 11.087 -4.025 1.00 0.00 H new ATOM 0 HD13 LEU A 111 18.219 11.300 -3.252 1.00 0.00 H new ATOM 0 HD21 LEU A 111 17.582 13.945 -4.681 1.00 0.00 H new ATOM 0 HD22 LEU A 111 17.303 13.661 -2.947 1.00 0.00 H new ATOM 0 HD23 LEU A 111 18.292 15.043 -3.475 1.00 0.00 H new ATOM 1670 N GLN A 112 22.328 14.604 -0.250 1.00 0.00 N ATOM 1671 CA GLN A 112 22.964 14.914 1.037 1.00 0.00 C ATOM 1672 C GLN A 112 22.887 16.416 1.359 1.00 0.00 C ATOM 1673 O GLN A 112 22.751 16.769 2.529 1.00 0.00 O ATOM 1674 CB GLN A 112 24.414 14.408 1.095 1.00 0.00 C ATOM 1675 CG GLN A 112 24.504 13.071 1.843 1.00 0.00 C ATOM 1676 CD GLN A 112 23.967 11.900 1.021 1.00 0.00 C ATOM 1677 OE1 GLN A 112 24.670 11.317 0.208 1.00 0.00 O ATOM 1678 NE2 GLN A 112 22.726 11.500 1.203 1.00 0.00 N ATOM 0 H GLN A 112 22.979 14.337 -0.988 1.00 0.00 H new ATOM 0 HA GLN A 112 22.402 14.382 1.805 1.00 0.00 H new ATOM 0 HB2 GLN A 112 24.801 14.289 0.083 1.00 0.00 H new ATOM 0 HB3 GLN A 112 25.041 15.149 1.591 1.00 0.00 H new ATOM 0 HG2 GLN A 112 25.543 12.877 2.109 1.00 0.00 H new ATOM 0 HG3 GLN A 112 23.944 13.142 2.776 1.00 0.00 H new ATOM 0 HE21 GLN A 112 22.130 11.978 1.878 1.00 0.00 H new ATOM 0 HE22 GLN A 112 22.361 10.712 0.669 1.00 0.00 H new ATOM 1687 N GLU A 113 22.867 17.308 0.359 1.00 0.00 N ATOM 1688 CA GLU A 113 22.568 18.738 0.596 1.00 0.00 C ATOM 1689 C GLU A 113 21.117 18.943 1.071 1.00 0.00 C ATOM 1690 O GLU A 113 20.822 19.924 1.755 1.00 0.00 O ATOM 1691 CB GLU A 113 22.806 19.627 -0.639 1.00 0.00 C ATOM 1692 CG GLU A 113 24.013 19.227 -1.481 1.00 0.00 C ATOM 1693 CD GLU A 113 24.479 20.385 -2.381 1.00 0.00 C ATOM 1694 OE1 GLU A 113 23.919 20.563 -3.489 1.00 0.00 O1- ATOM 1695 OE2 GLU A 113 25.411 21.127 -1.983 1.00 0.00 O ATOM 0 H GLU A 113 23.052 17.073 -0.616 1.00 0.00 H new ATOM 0 HA GLU A 113 23.266 19.043 1.375 1.00 0.00 H new ATOM 0 HB2 GLU A 113 21.916 19.601 -1.267 1.00 0.00 H new ATOM 0 HB3 GLU A 113 22.934 20.658 -0.310 1.00 0.00 H new ATOM 0 HG2 GLU A 113 24.830 18.921 -0.827 1.00 0.00 H new ATOM 0 HG3 GLU A 113 23.759 18.365 -2.097 1.00 0.00 H new ATOM 1702 N GLN A 114 20.222 17.996 0.749 1.00 0.00 N ATOM 1703 CA GLN A 114 18.847 17.944 1.252 1.00 0.00 C ATOM 1704 C GLN A 114 18.749 17.174 2.587 1.00 0.00 C ATOM 1705 O GLN A 114 17.653 16.987 3.108 1.00 0.00 O ATOM 1706 CB GLN A 114 17.918 17.288 0.206 1.00 0.00 C ATOM 1707 CG GLN A 114 17.940 17.827 -1.233 1.00 0.00 C ATOM 1708 CD GLN A 114 18.203 19.323 -1.339 1.00 0.00 C ATOM 1709 OE1 GLN A 114 17.439 20.149 -0.869 1.00 0.00 O ATOM 1710 NE2 GLN A 114 19.304 19.717 -1.943 1.00 0.00 N ATOM 0 H GLN A 114 20.443 17.228 0.116 1.00 0.00 H new ATOM 0 HA GLN A 114 18.530 18.971 1.432 1.00 0.00 H new ATOM 0 HB2 GLN A 114 18.161 16.226 0.166 1.00 0.00 H new ATOM 0 HB3 GLN A 114 16.895 17.368 0.574 1.00 0.00 H new ATOM 0 HG2 GLN A 114 18.707 17.295 -1.796 1.00 0.00 H new ATOM 0 HG3 GLN A 114 16.984 17.604 -1.707 1.00 0.00 H new ATOM 0 HE21 GLN A 114 19.944 19.028 -2.337 1.00 0.00 H new ATOM 0 HE22 GLN A 114 19.517 20.712 -2.017 1.00 0.00 H new ATOM 1719 N SER A 115 19.861 16.691 3.147 1.00 0.00 N ATOM 1720 CA SER A 115 19.924 15.803 4.321 1.00 0.00 C ATOM 1721 C SER A 115 19.067 14.521 4.212 1.00 0.00 C ATOM 1722 O SER A 115 18.716 13.922 5.232 1.00 0.00 O ATOM 1723 CB SER A 115 19.640 16.590 5.611 1.00 0.00 C ATOM 1724 OG SER A 115 20.537 17.683 5.737 1.00 0.00 O ATOM 0 H SER A 115 20.786 16.916 2.781 1.00 0.00 H new ATOM 0 HA SER A 115 20.947 15.430 4.358 1.00 0.00 H new ATOM 0 HB2 SER A 115 18.613 16.955 5.602 1.00 0.00 H new ATOM 0 HB3 SER A 115 19.737 15.931 6.474 1.00 0.00 H new ATOM 0 HG SER A 115 20.341 18.174 6.562 1.00 0.00 H new ATOM 1730 N ALA A 116 18.739 14.081 2.990 1.00 0.00 N ATOM 1731 CA ALA A 116 18.048 12.814 2.741 1.00 0.00 C ATOM 1732 C ALA A 116 18.895 11.607 3.208 1.00 0.00 C ATOM 1733 O ALA A 116 20.129 11.674 3.251 1.00 0.00 O ATOM 1734 CB ALA A 116 17.695 12.736 1.249 1.00 0.00 C ATOM 0 H ALA A 116 18.949 14.602 2.139 1.00 0.00 H new ATOM 0 HA ALA A 116 17.128 12.774 3.324 1.00 0.00 H new ATOM 0 HB1 ALA A 116 17.179 11.798 1.046 1.00 0.00 H new ATOM 0 HB2 ALA A 116 17.046 13.571 0.984 1.00 0.00 H new ATOM 0 HB3 ALA A 116 18.608 12.784 0.656 1.00 0.00 H new ATOM 1740 N GLN A 117 18.235 10.482 3.499 1.00 0.00 N ATOM 1741 CA GLN A 117 18.805 9.311 4.161 1.00 0.00 C ATOM 1742 C GLN A 117 18.719 8.064 3.272 1.00 0.00 C ATOM 1743 O GLN A 117 17.743 7.316 3.305 1.00 0.00 O ATOM 1744 CB GLN A 117 18.112 9.107 5.522 1.00 0.00 C ATOM 1745 CG GLN A 117 18.273 10.304 6.474 1.00 0.00 C ATOM 1746 CD GLN A 117 17.643 10.023 7.838 1.00 0.00 C ATOM 1747 OE1 GLN A 117 18.166 9.274 8.654 1.00 0.00 O ATOM 1748 NE2 GLN A 117 16.506 10.608 8.147 1.00 0.00 N ATOM 0 H GLN A 117 17.249 10.360 3.269 1.00 0.00 H new ATOM 0 HA GLN A 117 19.867 9.481 4.338 1.00 0.00 H new ATOM 0 HB2 GLN A 117 17.050 8.924 5.357 1.00 0.00 H new ATOM 0 HB3 GLN A 117 18.519 8.215 5.999 1.00 0.00 H new ATOM 0 HG2 GLN A 117 19.332 10.530 6.601 1.00 0.00 H new ATOM 0 HG3 GLN A 117 17.809 11.186 6.033 1.00 0.00 H new ATOM 0 HE21 GLN A 117 16.057 11.235 7.479 1.00 0.00 H new ATOM 0 HE22 GLN A 117 16.074 10.435 9.054 1.00 0.00 H new ATOM 1757 N ARG A 118 19.729 7.856 2.423 1.00 0.00 N ATOM 1758 CA ARG A 118 19.809 6.665 1.561 1.00 0.00 C ATOM 1759 C ARG A 118 19.832 5.363 2.377 1.00 0.00 C ATOM 1760 O ARG A 118 20.542 5.252 3.376 1.00 0.00 O ATOM 1761 CB ARG A 118 21.001 6.811 0.590 1.00 0.00 C ATOM 1762 CG ARG A 118 21.465 5.516 -0.090 1.00 0.00 C ATOM 1763 CD ARG A 118 22.326 5.737 -1.349 1.00 0.00 C ATOM 1764 NE ARG A 118 23.465 6.661 -1.166 1.00 0.00 N ATOM 1765 CZ ARG A 118 24.574 6.478 -0.476 1.00 0.00 C ATOM 1766 NH1 ARG A 118 24.804 5.410 0.244 1.00 0.00 N1+ ATOM 1767 NH2 ARG A 118 25.497 7.390 -0.518 1.00 0.00 N ATOM 0 H ARG A 118 20.511 8.501 2.311 1.00 0.00 H new ATOM 0 HA ARG A 118 18.904 6.596 0.958 1.00 0.00 H new ATOM 0 HB2 ARG A 118 20.730 7.530 -0.184 1.00 0.00 H new ATOM 0 HB3 ARG A 118 21.843 7.234 1.138 1.00 0.00 H new ATOM 0 HG2 ARG A 118 22.035 4.926 0.628 1.00 0.00 H new ATOM 0 HG3 ARG A 118 20.589 4.927 -0.361 1.00 0.00 H new ATOM 0 HD2 ARG A 118 22.709 4.773 -1.684 1.00 0.00 H new ATOM 0 HD3 ARG A 118 21.689 6.121 -2.145 1.00 0.00 H new ATOM 0 HE ARG A 118 23.382 7.562 -1.637 1.00 0.00 H new ATOM 0 HH11 ARG A 118 24.107 4.667 0.291 1.00 0.00 H new ATOM 0 HH12 ARG A 118 25.680 5.321 0.758 1.00 0.00 H new ATOM 0 HH21 ARG A 118 25.358 8.231 -1.078 1.00 0.00 H new ATOM 0 HH22 ARG A 118 26.361 7.266 0.009 1.00 0.00 H new ATOM 1781 N VAL A 119 19.081 4.370 1.897 1.00 0.00 N ATOM 1782 CA VAL A 119 18.876 3.045 2.522 1.00 0.00 C ATOM 1783 C VAL A 119 19.548 1.951 1.669 1.00 0.00 C ATOM 1784 O VAL A 119 18.920 0.981 1.248 1.00 0.00 O ATOM 1785 CB VAL A 119 17.371 2.781 2.804 1.00 0.00 C ATOM 1786 CG1 VAL A 119 17.170 1.631 3.801 1.00 0.00 C ATOM 1787 CG2 VAL A 119 16.664 4.000 3.412 1.00 0.00 C ATOM 0 H VAL A 119 18.571 4.464 1.019 1.00 0.00 H new ATOM 0 HA VAL A 119 19.360 3.025 3.498 1.00 0.00 H new ATOM 0 HB VAL A 119 16.946 2.539 1.830 1.00 0.00 H new ATOM 0 HG11 VAL A 119 16.104 1.479 3.971 1.00 0.00 H new ATOM 0 HG12 VAL A 119 17.607 0.718 3.396 1.00 0.00 H new ATOM 0 HG13 VAL A 119 17.656 1.878 4.745 1.00 0.00 H new ATOM 0 HG21 VAL A 119 15.615 3.761 3.589 1.00 0.00 H new ATOM 0 HG22 VAL A 119 17.141 4.264 4.356 1.00 0.00 H new ATOM 0 HG23 VAL A 119 16.733 4.842 2.723 1.00 0.00 H new ATOM 1797 N GLY A 120 20.826 2.151 1.332 1.00 0.00 N ATOM 1798 CA GLY A 120 21.604 1.242 0.479 1.00 0.00 C ATOM 1799 C GLY A 120 22.971 1.796 0.057 1.00 0.00 C ATOM 1800 O GLY A 120 23.376 2.887 0.466 1.00 0.00 O ATOM 0 H GLY A 120 21.359 2.961 1.648 1.00 0.00 H new ATOM 0 HA2 GLY A 120 21.753 0.302 1.010 1.00 0.00 H new ATOM 0 HA3 GLY A 120 21.024 1.015 -0.416 1.00 0.00 H new ATOM 1804 N GLU A 121 23.673 1.058 -0.803 1.00 0.00 N ATOM 1805 CA GLU A 121 24.988 1.421 -1.359 1.00 0.00 C ATOM 1806 C GLU A 121 24.917 1.540 -2.891 1.00 0.00 C ATOM 1807 O GLU A 121 24.136 0.845 -3.546 1.00 0.00 O ATOM 1808 CB GLU A 121 26.044 0.381 -0.944 1.00 0.00 C ATOM 1809 CG GLU A 121 26.299 0.376 0.571 1.00 0.00 C ATOM 1810 CD GLU A 121 27.421 -0.613 0.934 1.00 0.00 C ATOM 1811 OE1 GLU A 121 28.613 -0.216 0.923 1.00 0.00 O1- ATOM 1812 OE2 GLU A 121 27.121 -1.794 1.242 1.00 0.00 O ATOM 0 H GLU A 121 23.335 0.159 -1.147 1.00 0.00 H new ATOM 0 HA GLU A 121 25.278 2.392 -0.958 1.00 0.00 H new ATOM 0 HB2 GLU A 121 25.716 -0.610 -1.258 1.00 0.00 H new ATOM 0 HB3 GLU A 121 26.978 0.588 -1.466 1.00 0.00 H new ATOM 0 HG2 GLU A 121 26.571 1.378 0.902 1.00 0.00 H new ATOM 0 HG3 GLU A 121 25.384 0.104 1.097 1.00 0.00 H new ATOM 1819 N MET A 122 25.713 2.448 -3.467 1.00 0.00 N ATOM 1820 CA MET A 122 25.613 2.831 -4.879 1.00 0.00 C ATOM 1821 C MET A 122 26.097 1.712 -5.810 1.00 0.00 C ATOM 1822 O MET A 122 27.199 1.186 -5.641 1.00 0.00 O ATOM 1823 CB MET A 122 26.412 4.122 -5.109 1.00 0.00 C ATOM 1824 CG MET A 122 26.129 4.722 -6.494 1.00 0.00 C ATOM 1825 SD MET A 122 26.995 6.273 -6.873 1.00 0.00 S ATOM 1826 CE MET A 122 26.622 7.261 -5.400 1.00 0.00 C ATOM 0 H MET A 122 26.450 2.941 -2.962 1.00 0.00 H new ATOM 0 HA MET A 122 24.564 3.005 -5.118 1.00 0.00 H new ATOM 0 HB2 MET A 122 26.159 4.850 -4.338 1.00 0.00 H new ATOM 0 HB3 MET A 122 27.478 3.913 -5.013 1.00 0.00 H new ATOM 0 HG2 MET A 122 26.396 3.984 -7.251 1.00 0.00 H new ATOM 0 HG3 MET A 122 25.056 4.895 -6.582 1.00 0.00 H new ATOM 0 HE1 MET A 122 26.918 8.296 -5.572 1.00 0.00 H new ATOM 0 HE2 MET A 122 25.552 7.219 -5.195 1.00 0.00 H new ATOM 0 HE3 MET A 122 27.171 6.863 -4.547 1.00 0.00 H new ATOM 1836 N LEU A 123 25.290 1.386 -6.822 1.00 0.00 N ATOM 1837 CA LEU A 123 25.691 0.480 -7.902 1.00 0.00 C ATOM 1838 C LEU A 123 26.500 1.268 -8.950 1.00 0.00 C ATOM 1839 O LEU A 123 26.094 2.371 -9.314 1.00 0.00 O ATOM 1840 CB LEU A 123 24.405 -0.161 -8.473 1.00 0.00 C ATOM 1841 CG LEU A 123 24.517 -1.523 -9.184 1.00 0.00 C ATOM 1842 CD1 LEU A 123 25.018 -1.403 -10.617 1.00 0.00 C ATOM 1843 CD2 LEU A 123 25.398 -2.531 -8.441 1.00 0.00 C ATOM 0 H LEU A 123 24.339 1.743 -6.916 1.00 0.00 H new ATOM 0 HA LEU A 123 26.341 -0.321 -7.552 1.00 0.00 H new ATOM 0 HB2 LEU A 123 23.697 -0.273 -7.652 1.00 0.00 H new ATOM 0 HB3 LEU A 123 23.967 0.546 -9.177 1.00 0.00 H new ATOM 0 HG LEU A 123 23.493 -1.898 -9.191 1.00 0.00 H new ATOM 0 HD11 LEU A 123 25.076 -2.394 -11.066 1.00 0.00 H new ATOM 0 HD12 LEU A 123 24.330 -0.784 -11.192 1.00 0.00 H new ATOM 0 HD13 LEU A 123 26.007 -0.945 -10.619 1.00 0.00 H new ATOM 0 HD21 LEU A 123 25.431 -3.467 -8.999 1.00 0.00 H new ATOM 0 HD22 LEU A 123 26.407 -2.130 -8.344 1.00 0.00 H new ATOM 0 HD23 LEU A 123 24.984 -2.715 -7.450 1.00 0.00 H new ATOM 1855 N LEU A 124 27.631 0.729 -9.423 1.00 0.00 N ATOM 1856 CA LEU A 124 28.613 1.441 -10.265 1.00 0.00 C ATOM 1857 C LEU A 124 28.898 0.667 -11.566 1.00 0.00 C ATOM 1858 O LEU A 124 29.736 -0.237 -11.611 1.00 0.00 O ATOM 1859 CB LEU A 124 29.905 1.699 -9.467 1.00 0.00 C ATOM 1860 CG LEU A 124 29.762 2.550 -8.190 1.00 0.00 C ATOM 1861 CD1 LEU A 124 31.116 2.650 -7.487 1.00 0.00 C ATOM 1862 CD2 LEU A 124 29.280 3.968 -8.480 1.00 0.00 C ATOM 0 H LEU A 124 27.899 -0.236 -9.229 1.00 0.00 H new ATOM 0 HA LEU A 124 28.190 2.404 -10.552 1.00 0.00 H new ATOM 0 HB2 LEU A 124 30.334 0.736 -9.190 1.00 0.00 H new ATOM 0 HB3 LEU A 124 30.622 2.189 -10.126 1.00 0.00 H new ATOM 0 HG LEU A 124 29.020 2.054 -7.564 1.00 0.00 H new ATOM 0 HD11 LEU A 124 31.014 3.252 -6.584 1.00 0.00 H new ATOM 0 HD12 LEU A 124 31.462 1.651 -7.220 1.00 0.00 H new ATOM 0 HD13 LEU A 124 31.839 3.118 -8.155 1.00 0.00 H new ATOM 0 HD21 LEU A 124 29.197 4.522 -7.545 1.00 0.00 H new ATOM 0 HD22 LEU A 124 29.993 4.467 -9.136 1.00 0.00 H new ATOM 0 HD23 LEU A 124 28.305 3.929 -8.966 1.00 0.00 H new ATOM 1874 N ILE A 125 28.143 0.996 -12.617 1.00 0.00 N ATOM 1875 CA ILE A 125 28.121 0.288 -13.909 1.00 0.00 C ATOM 1876 C ILE A 125 29.239 0.785 -14.849 1.00 0.00 C ATOM 1877 O ILE A 125 29.387 1.990 -15.057 1.00 0.00 O ATOM 1878 CB ILE A 125 26.736 0.485 -14.570 1.00 0.00 C ATOM 1879 CG1 ILE A 125 25.591 -0.008 -13.654 1.00 0.00 C ATOM 1880 CG2 ILE A 125 26.677 -0.240 -15.927 1.00 0.00 C ATOM 1881 CD1 ILE A 125 24.188 0.406 -14.104 1.00 0.00 C ATOM 0 H ILE A 125 27.505 1.792 -12.596 1.00 0.00 H new ATOM 0 HA ILE A 125 28.298 -0.772 -13.727 1.00 0.00 H new ATOM 0 HB ILE A 125 26.600 1.554 -14.731 1.00 0.00 H new ATOM 0 HG12 ILE A 125 25.633 -1.096 -13.596 1.00 0.00 H new ATOM 0 HG13 ILE A 125 25.761 0.371 -12.646 1.00 0.00 H new ATOM 0 HG21 ILE A 125 25.696 -0.090 -16.377 1.00 0.00 H new ATOM 0 HG22 ILE A 125 27.445 0.162 -16.588 1.00 0.00 H new ATOM 0 HG23 ILE A 125 26.849 -1.306 -15.778 1.00 0.00 H new ATOM 0 HD11 ILE A 125 23.451 0.016 -13.402 1.00 0.00 H new ATOM 0 HD12 ILE A 125 24.121 1.494 -14.133 1.00 0.00 H new ATOM 0 HD13 ILE A 125 23.991 0.004 -15.098 1.00 0.00 H new ATOM 1893 N ASP A 126 29.959 -0.144 -15.492 1.00 0.00 N ATOM 1894 CA ASP A 126 31.067 0.148 -16.415 1.00 0.00 C ATOM 1895 C ASP A 126 30.836 -0.426 -17.826 1.00 0.00 C ATOM 1896 O ASP A 126 30.931 -1.638 -18.054 1.00 0.00 O ATOM 1897 CB ASP A 126 32.379 -0.392 -15.827 1.00 0.00 C ATOM 1898 CG ASP A 126 33.578 -0.162 -16.764 1.00 0.00 C ATOM 1899 OD1 ASP A 126 33.514 0.731 -17.638 1.00 0.00 O1- ATOM 1900 OD2 ASP A 126 34.611 -0.847 -16.596 1.00 0.00 O ATOM 0 H ASP A 126 29.784 -1.143 -15.383 1.00 0.00 H new ATOM 0 HA ASP A 126 31.124 1.231 -16.526 1.00 0.00 H new ATOM 0 HB2 ASP A 126 32.571 0.092 -14.869 1.00 0.00 H new ATOM 0 HB3 ASP A 126 32.274 -1.459 -15.630 1.00 0.00 H new ATOM 1905 N ALA A 127 30.583 0.458 -18.795 1.00 0.00 N ATOM 1906 CA ALA A 127 30.447 0.118 -20.209 1.00 0.00 C ATOM 1907 C ALA A 127 31.681 -0.596 -20.820 1.00 0.00 C ATOM 1908 O ALA A 127 31.524 -1.334 -21.797 1.00 0.00 O ATOM 1909 CB ALA A 127 30.110 1.404 -20.974 1.00 0.00 C ATOM 0 H ALA A 127 30.465 1.454 -18.610 1.00 0.00 H new ATOM 0 HA ALA A 127 29.645 -0.614 -20.299 1.00 0.00 H new ATOM 0 HB1 ALA A 127 30.003 1.179 -22.035 1.00 0.00 H new ATOM 0 HB2 ALA A 127 29.176 1.819 -20.595 1.00 0.00 H new ATOM 0 HB3 ALA A 127 30.912 2.130 -20.837 1.00 0.00 H new ATOM 1915 N SER A 128 32.884 -0.439 -20.248 1.00 0.00 N ATOM 1916 CA SER A 128 34.104 -1.160 -20.660 1.00 0.00 C ATOM 1917 C SER A 128 34.238 -2.562 -20.040 1.00 0.00 C ATOM 1918 O SER A 128 35.207 -3.269 -20.334 1.00 0.00 O ATOM 1919 CB SER A 128 35.366 -0.330 -20.359 1.00 0.00 C ATOM 1920 OG SER A 128 35.563 0.642 -21.365 1.00 0.00 O ATOM 0 H SER A 128 33.042 0.204 -19.472 1.00 0.00 H new ATOM 0 HA SER A 128 34.006 -1.303 -21.736 1.00 0.00 H new ATOM 0 HB2 SER A 128 35.267 0.156 -19.388 1.00 0.00 H new ATOM 0 HB3 SER A 128 36.235 -0.985 -20.301 1.00 0.00 H new ATOM 0 HG SER A 128 34.769 1.213 -21.428 1.00 0.00 H new ATOM 1926 N GLU A 129 33.273 -3.005 -19.226 1.00 0.00 N ATOM 1927 CA GLU A 129 33.278 -4.322 -18.571 1.00 0.00 C ATOM 1928 C GLU A 129 31.968 -5.111 -18.771 1.00 0.00 C ATOM 1929 O GLU A 129 32.005 -6.344 -18.789 1.00 0.00 O ATOM 1930 CB GLU A 129 33.622 -4.134 -17.083 1.00 0.00 C ATOM 1931 CG GLU A 129 33.779 -5.454 -16.322 1.00 0.00 C ATOM 1932 CD GLU A 129 34.402 -5.224 -14.933 1.00 0.00 C ATOM 1933 OE1 GLU A 129 33.653 -4.965 -13.960 1.00 0.00 O1- ATOM 1934 OE2 GLU A 129 35.647 -5.328 -14.798 1.00 0.00 O ATOM 0 H GLU A 129 32.449 -2.448 -18.998 1.00 0.00 H new ATOM 0 HA GLU A 129 34.042 -4.936 -19.047 1.00 0.00 H new ATOM 0 HB2 GLU A 129 34.547 -3.564 -17.001 1.00 0.00 H new ATOM 0 HB3 GLU A 129 32.840 -3.541 -16.609 1.00 0.00 H new ATOM 0 HG2 GLU A 129 32.805 -5.932 -16.212 1.00 0.00 H new ATOM 0 HG3 GLU A 129 34.406 -6.136 -16.897 1.00 0.00 H new ATOM 1941 N ASN A 130 30.830 -4.437 -18.988 1.00 0.00 N ATOM 1942 CA ASN A 130 29.532 -5.087 -19.189 1.00 0.00 C ATOM 1943 C ASN A 130 28.616 -4.311 -20.170 1.00 0.00 C ATOM 1944 O ASN A 130 28.237 -3.172 -19.871 1.00 0.00 O ATOM 1945 CB ASN A 130 28.858 -5.237 -17.816 1.00 0.00 C ATOM 1946 CG ASN A 130 27.486 -5.878 -17.907 1.00 0.00 C ATOM 1947 OD1 ASN A 130 27.175 -6.634 -18.815 1.00 0.00 O ATOM 1948 ND2 ASN A 130 26.607 -5.570 -16.992 1.00 0.00 N ATOM 0 H ASN A 130 30.786 -3.419 -19.029 1.00 0.00 H new ATOM 0 HA ASN A 130 29.698 -6.062 -19.647 1.00 0.00 H new ATOM 0 HB2 ASN A 130 29.494 -5.839 -17.167 1.00 0.00 H new ATOM 0 HB3 ASN A 130 28.766 -4.255 -17.351 1.00 0.00 H new ATOM 0 HD21 ASN A 130 25.666 -5.960 -17.037 1.00 0.00 H new ATOM 0 HD22 ASN A 130 26.862 -4.939 -16.232 1.00 0.00 H new ATOM 1955 N PRO A 131 28.203 -4.913 -21.309 1.00 0.00 N ATOM 1956 CA PRO A 131 27.237 -4.324 -22.241 1.00 0.00 C ATOM 1957 C PRO A 131 25.758 -4.518 -21.829 1.00 0.00 C ATOM 1958 O PRO A 131 24.869 -3.985 -22.496 1.00 0.00 O ATOM 1959 CB PRO A 131 27.523 -5.021 -23.577 1.00 0.00 C ATOM 1960 CG PRO A 131 27.924 -6.428 -23.143 1.00 0.00 C ATOM 1961 CD PRO A 131 28.697 -6.178 -21.847 1.00 0.00 C ATOM 0 HA PRO A 131 27.359 -3.241 -22.275 1.00 0.00 H new ATOM 0 HB2 PRO A 131 26.646 -5.032 -24.224 1.00 0.00 H new ATOM 0 HB3 PRO A 131 28.321 -4.525 -24.130 1.00 0.00 H new ATOM 0 HG2 PRO A 131 27.054 -7.063 -22.978 1.00 0.00 H new ATOM 0 HG3 PRO A 131 28.542 -6.922 -23.893 1.00 0.00 H new ATOM 0 HD2 PRO A 131 28.538 -6.990 -21.137 1.00 0.00 H new ATOM 0 HD3 PRO A 131 29.769 -6.127 -22.038 1.00 0.00 H new ATOM 1969 N GLU A 132 25.475 -5.269 -20.756 1.00 0.00 N ATOM 1970 CA GLU A 132 24.124 -5.675 -20.326 1.00 0.00 C ATOM 1971 C GLU A 132 23.887 -5.337 -18.836 1.00 0.00 C ATOM 1972 O GLU A 132 23.913 -6.223 -17.971 1.00 0.00 O ATOM 1973 CB GLU A 132 23.915 -7.160 -20.676 1.00 0.00 C ATOM 1974 CG GLU A 132 22.450 -7.595 -20.550 1.00 0.00 C ATOM 1975 CD GLU A 132 22.241 -8.996 -21.155 1.00 0.00 C ATOM 1976 OE1 GLU A 132 22.548 -10.010 -20.484 1.00 0.00 O ATOM 1977 OE2 GLU A 132 21.769 -9.094 -22.315 1.00 0.00 O1- ATOM 0 H GLU A 132 26.205 -5.625 -20.139 1.00 0.00 H new ATOM 0 HA GLU A 132 23.366 -5.106 -20.864 1.00 0.00 H new ATOM 0 HB2 GLU A 132 24.258 -7.341 -21.695 1.00 0.00 H new ATOM 0 HB3 GLU A 132 24.530 -7.774 -20.019 1.00 0.00 H new ATOM 0 HG2 GLU A 132 22.156 -7.600 -19.500 1.00 0.00 H new ATOM 0 HG3 GLU A 132 21.807 -6.875 -21.057 1.00 0.00 H new ATOM 1984 N PRO A 133 23.689 -4.046 -18.493 1.00 0.00 N ATOM 1985 CA PRO A 133 23.664 -3.550 -17.107 1.00 0.00 C ATOM 1986 C PRO A 133 22.522 -4.097 -16.242 1.00 0.00 C ATOM 1987 O PRO A 133 22.603 -4.070 -15.012 1.00 0.00 O ATOM 1988 CB PRO A 133 23.624 -2.028 -17.233 1.00 0.00 C ATOM 1989 CG PRO A 133 22.970 -1.774 -18.587 1.00 0.00 C ATOM 1990 CD PRO A 133 23.506 -2.936 -19.420 1.00 0.00 C ATOM 0 HA PRO A 133 24.544 -3.903 -16.570 1.00 0.00 H new ATOM 0 HB2 PRO A 133 23.049 -1.578 -16.424 1.00 0.00 H new ATOM 0 HB3 PRO A 133 24.625 -1.600 -17.189 1.00 0.00 H new ATOM 0 HG2 PRO A 133 21.882 -1.785 -18.523 1.00 0.00 H new ATOM 0 HG3 PRO A 133 23.255 -0.808 -19.003 1.00 0.00 H new ATOM 0 HD2 PRO A 133 22.807 -3.202 -20.213 1.00 0.00 H new ATOM 0 HD3 PRO A 133 24.448 -2.670 -19.900 1.00 0.00 H new ATOM 1998 N GLU A 134 21.488 -4.661 -16.867 1.00 0.00 N ATOM 1999 CA GLU A 134 20.415 -5.428 -16.221 1.00 0.00 C ATOM 2000 C GLU A 134 20.988 -6.475 -15.251 1.00 0.00 C ATOM 2001 O GLU A 134 20.549 -6.587 -14.109 1.00 0.00 O ATOM 2002 CB GLU A 134 19.632 -6.116 -17.348 1.00 0.00 C ATOM 2003 CG GLU A 134 18.400 -6.897 -16.892 1.00 0.00 C ATOM 2004 CD GLU A 134 17.765 -7.656 -18.073 1.00 0.00 C ATOM 2005 OE1 GLU A 134 17.183 -7.012 -18.981 1.00 0.00 O1- ATOM 2006 OE2 GLU A 134 17.861 -8.907 -18.114 1.00 0.00 O ATOM 0 H GLU A 134 21.368 -4.595 -17.878 1.00 0.00 H new ATOM 0 HA GLU A 134 19.773 -4.772 -15.633 1.00 0.00 H new ATOM 0 HB2 GLU A 134 19.319 -5.359 -18.067 1.00 0.00 H new ATOM 0 HB3 GLU A 134 20.302 -6.797 -17.873 1.00 0.00 H new ATOM 0 HG2 GLU A 134 18.680 -7.602 -16.109 1.00 0.00 H new ATOM 0 HG3 GLU A 134 17.670 -6.213 -16.459 1.00 0.00 H new ATOM 2013 N THR A 135 22.032 -7.189 -15.682 1.00 0.00 N ATOM 2014 CA THR A 135 22.671 -8.279 -14.917 1.00 0.00 C ATOM 2015 C THR A 135 23.409 -7.826 -13.654 1.00 0.00 C ATOM 2016 O THR A 135 23.646 -8.634 -12.753 1.00 0.00 O ATOM 2017 CB THR A 135 23.647 -9.081 -15.791 1.00 0.00 C ATOM 2018 OG1 THR A 135 24.668 -8.267 -16.334 1.00 0.00 O ATOM 2019 CG2 THR A 135 22.902 -9.756 -16.938 1.00 0.00 C ATOM 0 H THR A 135 22.470 -7.027 -16.589 1.00 0.00 H new ATOM 0 HA THR A 135 21.836 -8.903 -14.597 1.00 0.00 H new ATOM 0 HB THR A 135 24.106 -9.829 -15.144 1.00 0.00 H new ATOM 0 HG1 THR A 135 24.283 -7.659 -16.999 1.00 0.00 H new ATOM 0 HG21 THR A 135 23.607 -10.320 -17.548 1.00 0.00 H new ATOM 0 HG22 THR A 135 22.149 -10.433 -16.534 1.00 0.00 H new ATOM 0 HG23 THR A 135 22.416 -8.998 -17.553 1.00 0.00 H new ATOM 2027 N GLU A 136 23.735 -6.535 -13.556 1.00 0.00 N ATOM 2028 CA GLU A 136 24.363 -5.928 -12.372 1.00 0.00 C ATOM 2029 C GLU A 136 23.357 -5.157 -11.506 1.00 0.00 C ATOM 2030 O GLU A 136 23.619 -4.912 -10.328 1.00 0.00 O ATOM 2031 CB GLU A 136 25.467 -4.956 -12.817 1.00 0.00 C ATOM 2032 CG GLU A 136 26.652 -5.659 -13.480 1.00 0.00 C ATOM 2033 CD GLU A 136 27.725 -4.629 -13.866 1.00 0.00 C ATOM 2034 OE1 GLU A 136 27.561 -3.969 -14.920 1.00 0.00 O ATOM 2035 OE2 GLU A 136 28.730 -4.489 -13.127 1.00 0.00 O1- ATOM 0 H GLU A 136 23.568 -5.867 -14.309 1.00 0.00 H new ATOM 0 HA GLU A 136 24.773 -6.742 -11.774 1.00 0.00 H new ATOM 0 HB2 GLU A 136 25.046 -4.231 -13.514 1.00 0.00 H new ATOM 0 HB3 GLU A 136 25.822 -4.397 -11.951 1.00 0.00 H new ATOM 0 HG2 GLU A 136 27.074 -6.398 -12.799 1.00 0.00 H new ATOM 0 HG3 GLU A 136 26.317 -6.197 -14.367 1.00 0.00 H new ATOM 2042 N SER A 137 22.191 -4.815 -12.065 1.00 0.00 N ATOM 2043 CA SER A 137 21.244 -3.885 -11.437 1.00 0.00 C ATOM 2044 C SER A 137 19.922 -4.519 -11.005 1.00 0.00 C ATOM 2045 O SER A 137 19.334 -4.074 -10.025 1.00 0.00 O ATOM 2046 CB SER A 137 20.953 -2.729 -12.391 1.00 0.00 C ATOM 2047 OG SER A 137 22.137 -2.228 -12.989 1.00 0.00 O ATOM 0 H SER A 137 21.876 -5.175 -12.966 1.00 0.00 H new ATOM 0 HA SER A 137 21.731 -3.540 -10.525 1.00 0.00 H new ATOM 0 HB2 SER A 137 20.267 -3.064 -13.169 1.00 0.00 H new ATOM 0 HB3 SER A 137 20.453 -1.927 -11.848 1.00 0.00 H new ATOM 0 HG SER A 137 22.402 -2.812 -13.730 1.00 0.00 H new ATOM 2053 N ASN A 138 19.455 -5.582 -11.661 1.00 0.00 N ATOM 2054 CA ASN A 138 18.229 -6.266 -11.247 1.00 0.00 C ATOM 2055 C ASN A 138 18.301 -6.828 -9.808 1.00 0.00 C ATOM 2056 O ASN A 138 17.443 -6.456 -9.003 1.00 0.00 O ATOM 2057 CB ASN A 138 17.874 -7.337 -12.283 1.00 0.00 C ATOM 2058 CG ASN A 138 17.210 -6.753 -13.528 1.00 0.00 C ATOM 2059 OD1 ASN A 138 17.391 -5.600 -13.895 1.00 0.00 O ATOM 2060 ND2 ASN A 138 16.372 -7.520 -14.187 1.00 0.00 N ATOM 0 H ASN A 138 19.907 -5.988 -12.481 1.00 0.00 H new ATOM 0 HA ASN A 138 17.424 -5.532 -11.212 1.00 0.00 H new ATOM 0 HB2 ASN A 138 18.779 -7.869 -12.575 1.00 0.00 H new ATOM 0 HB3 ASN A 138 17.206 -8.069 -11.829 1.00 0.00 H new ATOM 0 HD21 ASN A 138 15.876 -7.154 -15.000 1.00 0.00 H new ATOM 0 HD22 ASN A 138 16.217 -8.482 -13.886 1.00 0.00 H new ATOM 2067 N PRO A 139 19.324 -7.620 -9.412 1.00 0.00 N ATOM 2068 CA PRO A 139 19.434 -8.094 -8.028 1.00 0.00 C ATOM 2069 C PRO A 139 19.652 -6.951 -7.023 1.00 0.00 C ATOM 2070 O PRO A 139 19.195 -7.049 -5.886 1.00 0.00 O ATOM 2071 CB PRO A 139 20.588 -9.103 -8.019 1.00 0.00 C ATOM 2072 CG PRO A 139 21.451 -8.639 -9.188 1.00 0.00 C ATOM 2073 CD PRO A 139 20.420 -8.164 -10.206 1.00 0.00 C ATOM 0 HA PRO A 139 18.502 -8.558 -7.705 1.00 0.00 H new ATOM 0 HB2 PRO A 139 21.137 -9.082 -7.077 1.00 0.00 H new ATOM 0 HB3 PRO A 139 20.234 -10.124 -8.158 1.00 0.00 H new ATOM 0 HG2 PRO A 139 22.129 -7.837 -8.896 1.00 0.00 H new ATOM 0 HG3 PRO A 139 22.065 -9.448 -9.583 1.00 0.00 H new ATOM 0 HD2 PRO A 139 20.840 -7.407 -10.869 1.00 0.00 H new ATOM 0 HD3 PRO A 139 20.080 -8.986 -10.836 1.00 0.00 H new ATOM 2081 N TRP A 140 20.285 -5.842 -7.438 1.00 0.00 N ATOM 2082 CA TRP A 140 20.395 -4.627 -6.623 1.00 0.00 C ATOM 2083 C TRP A 140 19.015 -4.041 -6.290 1.00 0.00 C ATOM 2084 O TRP A 140 18.724 -3.814 -5.116 1.00 0.00 O ATOM 2085 CB TRP A 140 21.276 -3.593 -7.342 1.00 0.00 C ATOM 2086 CG TRP A 140 21.530 -2.336 -6.558 1.00 0.00 C ATOM 2087 CD1 TRP A 140 22.635 -2.077 -5.819 1.00 0.00 C ATOM 2088 CD2 TRP A 140 20.650 -1.180 -6.363 1.00 0.00 C ATOM 2089 NE1 TRP A 140 22.504 -0.841 -5.212 1.00 0.00 N ATOM 2090 CE2 TRP A 140 21.279 -0.273 -5.463 1.00 0.00 C ATOM 2091 CE3 TRP A 140 19.374 -0.811 -6.831 1.00 0.00 C ATOM 2092 CZ2 TRP A 140 20.661 0.902 -5.009 1.00 0.00 C ATOM 2093 CZ3 TRP A 140 18.731 0.357 -6.386 1.00 0.00 C ATOM 2094 CH2 TRP A 140 19.366 1.207 -5.465 1.00 0.00 C ATOM 0 H TRP A 140 20.735 -5.765 -8.350 1.00 0.00 H new ATOM 0 HA TRP A 140 20.865 -4.893 -5.676 1.00 0.00 H new ATOM 0 HB2 TRP A 140 22.233 -4.055 -7.583 1.00 0.00 H new ATOM 0 HB3 TRP A 140 20.804 -3.327 -8.288 1.00 0.00 H new ATOM 0 HD1 TRP A 140 23.487 -2.734 -5.719 1.00 0.00 H new ATOM 0 HE1 TRP A 140 23.231 -0.404 -4.645 1.00 0.00 H new ATOM 0 HE3 TRP A 140 18.876 -1.443 -7.552 1.00 0.00 H new ATOM 0 HZ2 TRP A 140 21.171 1.561 -4.321 1.00 0.00 H new ATOM 0 HZ3 TRP A 140 17.745 0.602 -6.753 1.00 0.00 H new ATOM 0 HH2 TRP A 140 18.861 2.092 -5.108 1.00 0.00 H new ATOM 2105 N VAL A 141 18.138 -3.849 -7.289 1.00 0.00 N ATOM 2106 CA VAL A 141 16.780 -3.321 -7.046 1.00 0.00 C ATOM 2107 C VAL A 141 15.945 -4.334 -6.261 1.00 0.00 C ATOM 2108 O VAL A 141 15.246 -3.944 -5.327 1.00 0.00 O ATOM 2109 CB VAL A 141 16.027 -2.935 -8.335 1.00 0.00 C ATOM 2110 CG1 VAL A 141 14.680 -2.280 -7.998 1.00 0.00 C ATOM 2111 CG2 VAL A 141 16.781 -1.919 -9.203 1.00 0.00 C ATOM 0 H VAL A 141 18.341 -4.049 -8.268 1.00 0.00 H new ATOM 0 HA VAL A 141 16.916 -2.407 -6.467 1.00 0.00 H new ATOM 0 HB VAL A 141 15.913 -3.871 -8.882 1.00 0.00 H new ATOM 0 HG11 VAL A 141 14.164 -2.015 -8.920 1.00 0.00 H new ATOM 0 HG12 VAL A 141 14.068 -2.979 -7.428 1.00 0.00 H new ATOM 0 HG13 VAL A 141 14.851 -1.381 -7.406 1.00 0.00 H new ATOM 0 HG21 VAL A 141 16.193 -1.693 -10.093 1.00 0.00 H new ATOM 0 HG22 VAL A 141 16.943 -1.004 -8.634 1.00 0.00 H new ATOM 0 HG23 VAL A 141 17.743 -2.337 -9.500 1.00 0.00 H new ATOM 2121 N GLU A 142 16.040 -5.629 -6.588 1.00 0.00 N ATOM 2122 CA GLU A 142 15.321 -6.678 -5.857 1.00 0.00 C ATOM 2123 C GLU A 142 15.717 -6.718 -4.368 1.00 0.00 C ATOM 2124 O GLU A 142 14.846 -6.874 -3.511 1.00 0.00 O ATOM 2125 CB GLU A 142 15.534 -8.054 -6.510 1.00 0.00 C ATOM 2126 CG GLU A 142 14.773 -8.217 -7.835 1.00 0.00 C ATOM 2127 CD GLU A 142 15.063 -9.587 -8.474 1.00 0.00 C ATOM 2128 OE1 GLU A 142 14.482 -10.601 -8.016 1.00 0.00 O1- ATOM 2129 OE2 GLU A 142 15.859 -9.664 -9.443 1.00 0.00 O ATOM 0 H GLU A 142 16.611 -5.976 -7.359 1.00 0.00 H new ATOM 0 HA GLU A 142 14.260 -6.432 -5.909 1.00 0.00 H new ATOM 0 HB2 GLU A 142 16.599 -8.204 -6.689 1.00 0.00 H new ATOM 0 HB3 GLU A 142 15.215 -8.832 -5.816 1.00 0.00 H new ATOM 0 HG2 GLU A 142 13.702 -8.114 -7.658 1.00 0.00 H new ATOM 0 HG3 GLU A 142 15.061 -7.423 -8.524 1.00 0.00 H new ATOM 2136 N HIS A 143 17.004 -6.528 -4.044 1.00 0.00 N ATOM 2137 CA HIS A 143 17.486 -6.374 -2.669 1.00 0.00 C ATOM 2138 C HIS A 143 16.996 -5.075 -2.017 1.00 0.00 C ATOM 2139 O HIS A 143 16.345 -5.136 -0.973 1.00 0.00 O ATOM 2140 CB HIS A 143 19.020 -6.441 -2.655 1.00 0.00 C ATOM 2141 CG HIS A 143 19.608 -6.188 -1.287 1.00 0.00 C ATOM 2142 ND1 HIS A 143 19.812 -7.155 -0.298 1.00 0.00 N ATOM 2143 CD2 HIS A 143 19.999 -4.972 -0.806 1.00 0.00 C ATOM 2144 CE1 HIS A 143 20.327 -6.498 0.756 1.00 0.00 C ATOM 2145 NE2 HIS A 143 20.449 -5.188 0.480 1.00 0.00 N ATOM 0 H HIS A 143 17.747 -6.477 -4.741 1.00 0.00 H new ATOM 0 HA HIS A 143 17.075 -7.192 -2.078 1.00 0.00 H new ATOM 0 HB2 HIS A 143 19.339 -7.423 -3.006 1.00 0.00 H new ATOM 0 HB3 HIS A 143 19.417 -5.707 -3.357 1.00 0.00 H new ATOM 0 HD2 HIS A 143 19.963 -4.028 -1.329 1.00 0.00 H new ATOM 0 HE1 HIS A 143 20.604 -6.958 1.693 1.00 0.00 H new ATOM 0 HE2 HIS A 143 20.812 -4.476 1.113 1.00 0.00 H new ATOM 2153 N TRP A 144 17.268 -3.911 -2.624 1.00 0.00 N ATOM 2154 CA TRP A 144 16.894 -2.590 -2.095 1.00 0.00 C ATOM 2155 C TRP A 144 15.398 -2.519 -1.776 1.00 0.00 C ATOM 2156 O TRP A 144 15.034 -2.156 -0.660 1.00 0.00 O ATOM 2157 CB TRP A 144 17.330 -1.494 -3.085 1.00 0.00 C ATOM 2158 CG TRP A 144 17.000 -0.078 -2.703 1.00 0.00 C ATOM 2159 CD1 TRP A 144 17.703 0.705 -1.851 1.00 0.00 C ATOM 2160 CD2 TRP A 144 15.891 0.753 -3.170 1.00 0.00 C ATOM 2161 NE1 TRP A 144 17.099 1.939 -1.730 1.00 0.00 N ATOM 2162 CE2 TRP A 144 15.968 2.020 -2.511 1.00 0.00 C ATOM 2163 CE3 TRP A 144 14.822 0.568 -4.074 1.00 0.00 C ATOM 2164 CZ2 TRP A 144 15.025 3.034 -2.715 1.00 0.00 C ATOM 2165 CZ3 TRP A 144 13.877 1.590 -4.299 1.00 0.00 C ATOM 2166 CH2 TRP A 144 13.976 2.817 -3.617 1.00 0.00 C ATOM 0 H TRP A 144 17.764 -3.860 -3.514 1.00 0.00 H new ATOM 0 HA TRP A 144 17.416 -2.424 -1.152 1.00 0.00 H new ATOM 0 HB2 TRP A 144 18.409 -1.568 -3.223 1.00 0.00 H new ATOM 0 HB3 TRP A 144 16.870 -1.703 -4.051 1.00 0.00 H new ATOM 0 HD1 TRP A 144 18.606 0.406 -1.340 1.00 0.00 H new ATOM 0 HE1 TRP A 144 17.445 2.694 -1.138 1.00 0.00 H new ATOM 0 HE3 TRP A 144 14.727 -0.370 -4.601 1.00 0.00 H new ATOM 0 HZ2 TRP A 144 15.105 3.971 -2.184 1.00 0.00 H new ATOM 0 HZ3 TRP A 144 13.071 1.430 -5.000 1.00 0.00 H new ATOM 0 HH2 TRP A 144 13.243 3.591 -3.789 1.00 0.00 H new ATOM 2177 N GLY A 145 14.547 -2.993 -2.695 1.00 0.00 N ATOM 2178 CA GLY A 145 13.098 -3.131 -2.547 1.00 0.00 C ATOM 2179 C GLY A 145 12.603 -3.853 -1.283 1.00 0.00 C ATOM 2180 O GLY A 145 11.477 -3.597 -0.856 1.00 0.00 O ATOM 0 H GLY A 145 14.871 -3.307 -3.610 1.00 0.00 H new ATOM 0 HA2 GLY A 145 12.657 -2.134 -2.565 1.00 0.00 H new ATOM 0 HA3 GLY A 145 12.716 -3.665 -3.417 1.00 0.00 H new ATOM 2184 N THR A 146 13.408 -4.711 -0.641 1.00 0.00 N ATOM 2185 CA THR A 146 13.049 -5.354 0.645 1.00 0.00 C ATOM 2186 C THR A 146 13.088 -4.403 1.855 1.00 0.00 C ATOM 2187 O THR A 146 12.500 -4.705 2.896 1.00 0.00 O ATOM 2188 CB THR A 146 13.946 -6.565 0.974 1.00 0.00 C ATOM 2189 OG1 THR A 146 15.279 -6.180 1.229 1.00 0.00 O ATOM 2190 CG2 THR A 146 13.969 -7.623 -0.128 1.00 0.00 C ATOM 0 H THR A 146 14.326 -4.983 -0.992 1.00 0.00 H new ATOM 0 HA THR A 146 12.020 -5.677 0.486 1.00 0.00 H new ATOM 0 HB THR A 146 13.497 -6.998 1.868 1.00 0.00 H new ATOM 0 HG1 THR A 146 15.597 -5.603 0.504 1.00 0.00 H new ATOM 0 HG21 THR A 146 14.619 -8.445 0.171 1.00 0.00 H new ATOM 0 HG22 THR A 146 12.959 -8.000 -0.292 1.00 0.00 H new ATOM 0 HG23 THR A 146 14.345 -7.180 -1.050 1.00 0.00 H new ATOM 2198 N LEU A 147 13.775 -3.262 1.731 1.00 0.00 N ATOM 2199 CA LEU A 147 14.078 -2.324 2.824 1.00 0.00 C ATOM 2200 C LEU A 147 13.040 -1.186 2.952 1.00 0.00 C ATOM 2201 O LEU A 147 12.989 -0.493 3.972 1.00 0.00 O ATOM 2202 CB LEU A 147 15.486 -1.745 2.581 1.00 0.00 C ATOM 2203 CG LEU A 147 16.593 -2.798 2.345 1.00 0.00 C ATOM 2204 CD1 LEU A 147 17.923 -2.118 2.039 1.00 0.00 C ATOM 2205 CD2 LEU A 147 16.794 -3.713 3.554 1.00 0.00 C ATOM 0 H LEU A 147 14.150 -2.953 0.834 1.00 0.00 H new ATOM 0 HA LEU A 147 14.037 -2.871 3.766 1.00 0.00 H new ATOM 0 HB2 LEU A 147 15.446 -1.082 1.717 1.00 0.00 H new ATOM 0 HB3 LEU A 147 15.764 -1.133 3.439 1.00 0.00 H new ATOM 0 HG LEU A 147 16.265 -3.401 1.498 1.00 0.00 H new ATOM 0 HD11 LEU A 147 18.690 -2.875 1.876 1.00 0.00 H new ATOM 0 HD12 LEU A 147 17.821 -1.506 1.143 1.00 0.00 H new ATOM 0 HD13 LEU A 147 18.210 -1.486 2.879 1.00 0.00 H new ATOM 0 HD21 LEU A 147 17.582 -4.434 3.337 1.00 0.00 H new ATOM 0 HD22 LEU A 147 17.078 -3.115 4.420 1.00 0.00 H new ATOM 0 HD23 LEU A 147 15.866 -4.243 3.768 1.00 0.00 H new ATOM 2217 N LEU A 148 12.224 -1.005 1.912 1.00 0.00 N ATOM 2218 CA LEU A 148 11.141 -0.020 1.785 1.00 0.00 C ATOM 2219 C LEU A 148 10.004 -0.231 2.811 1.00 0.00 C ATOM 2220 O LEU A 148 9.797 -1.341 3.311 1.00 0.00 O ATOM 2221 CB LEU A 148 10.602 -0.104 0.341 1.00 0.00 C ATOM 2222 CG LEU A 148 11.454 0.562 -0.764 1.00 0.00 C ATOM 2223 CD1 LEU A 148 11.416 2.077 -0.646 1.00 0.00 C ATOM 2224 CD2 LEU A 148 12.917 0.154 -0.766 1.00 0.00 C ATOM 0 H LEU A 148 12.306 -1.583 1.075 1.00 0.00 H new ATOM 0 HA LEU A 148 11.541 0.971 1.998 1.00 0.00 H new ATOM 0 HB2 LEU A 148 10.478 -1.156 0.086 1.00 0.00 H new ATOM 0 HB3 LEU A 148 9.610 0.347 0.323 1.00 0.00 H new ATOM 0 HG LEU A 148 11.000 0.213 -1.692 1.00 0.00 H new ATOM 0 HD11 LEU A 148 12.024 2.519 -1.436 1.00 0.00 H new ATOM 0 HD12 LEU A 148 10.387 2.424 -0.743 1.00 0.00 H new ATOM 0 HD13 LEU A 148 11.810 2.376 0.325 1.00 0.00 H new ATOM 0 HD21 LEU A 148 13.437 0.669 -1.573 1.00 0.00 H new ATOM 0 HD22 LEU A 148 13.371 0.423 0.188 1.00 0.00 H new ATOM 0 HD23 LEU A 148 12.994 -0.923 -0.914 1.00 0.00 H new ATOM 2236 N SER A 149 9.254 0.858 3.062 1.00 0.00 N ATOM 2237 CA SER A 149 8.179 1.018 4.073 1.00 0.00 C ATOM 2238 C SER A 149 8.401 0.227 5.379 1.00 0.00 C ATOM 2239 O SER A 149 7.811 -0.868 5.550 1.00 0.00 O ATOM 2240 CB SER A 149 6.799 0.770 3.452 1.00 0.00 C ATOM 2241 OG SER A 149 6.703 -0.604 3.165 1.00 0.00 O ATOM 2242 OXT SER A 149 9.139 0.743 6.250 1.00 0.00 O1- ATOM 0 H SER A 149 9.389 1.716 2.527 1.00 0.00 H new ATOM 0 HA SER A 149 8.221 2.059 4.392 1.00 0.00 H new ATOM 0 HB2 SER A 149 6.009 1.074 4.139 1.00 0.00 H new ATOM 0 HB3 SER A 149 6.676 1.360 2.544 1.00 0.00 H new ATOM 0 HG SER A 149 7.050 -1.121 3.922 1.00 0.00 H new