USER MOD reduce.3.24.130724 H: found=0, std=0, add=945, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 785 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 31 TYR OH : rot 180:sc= -0.795 USER MOD Set 1.2: A 60 MET CE :methyl -127:sc= 0 (180deg=0) USER MOD Set 1.3: A 97 THR OG1 : rot -140:sc= -0.0101 USER MOD Set 2.1: A 96 LYS NZ :NH3+ -124:sc= 0.62 (180deg=-0.345) USER MOD Set 2.2: A 100 GLN : amide:sc= 0.355 K(o=0.98,f=-7.4!) USER MOD Single : A 1 GLY N :NH3+ -135:sc= 0.00547 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.0456 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc=-0.00269 K(o=-0.0027,f=-1.4!) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.378 USER MOD Single : A 27 HIS : no HD1:sc= -0.353 X(o=-0.35,f=-0.089) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -2.72! C(o=-2.7!,f=-5.5!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc=-0.00862 X(o=-0.0086,f=0) USER MOD Single : A 48 ASN : amide:sc= -0.0528 X(o=-0.053,f=-0.3) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.0579 K(o=-0.058,f=-0.6) USER MOD Single : A 55 ASN : amide:sc= -0.216 K(o=-0.22,f=-1.8!) USER MOD Single : A 62 THR OG1 : rot -19:sc= -0.069! USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 CYS SG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 35:sc= 0.0748 USER MOD Single : A 87 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.26) USER MOD Single : A 89 ASN : amide:sc= -0.267 K(o=-0.27,f=-5.5!) USER MOD Single : A 92 SER OG : rot 180:sc= 0.0996 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= -0.33 K(o=-0.33,f=-3!) USER MOD Single : A 107 ASN : amide:sc= 0.155 X(o=0.16,f=-0.016) USER MOD Single : A 108 SER OG : rot 75:sc= -0.216 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 63:sc= 0.0586 USER MOD Single : A 115 SER OG : rot -54:sc= -0.762 USER MOD Single : A 117 MET CE :methyl 173:sc= -2.55! (180deg=-2.66!) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.284 -29.230 15.667 1.00 0.00 N ATOM 2 CA GLY A 1 -8.117 -28.103 15.284 1.00 0.00 C ATOM 3 C GLY A 1 -7.278 -26.993 14.648 1.00 0.00 C ATOM 4 O GLY A 1 -6.408 -27.263 13.822 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.742 -30.116 15.372 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.356 -29.149 15.204 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.157 -29.233 16.699 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.882 -28.434 14.581 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.636 -27.715 16.161 1.00 0.00 H new ATOM 8 N SER A 2 -7.570 -25.767 15.057 1.00 0.00 N ATOM 9 CA SER A 2 -6.854 -24.615 14.536 1.00 0.00 C ATOM 10 C SER A 2 -7.041 -24.522 13.021 1.00 0.00 C ATOM 11 O SER A 2 -7.411 -25.502 12.377 1.00 0.00 O ATOM 12 CB SER A 2 -5.365 -24.688 14.884 1.00 0.00 C ATOM 13 OG SER A 2 -5.151 -24.841 16.285 1.00 0.00 O ATOM 0 H SER A 2 -8.292 -25.546 15.743 1.00 0.00 H new ATOM 0 HA SER A 2 -7.265 -23.719 15.001 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.909 -25.525 14.354 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.867 -23.782 14.538 1.00 0.00 H new ATOM 0 HG SER A 2 -4.189 -24.885 16.466 1.00 0.00 H new ATOM 18 N SER A 3 -6.776 -23.335 12.495 1.00 0.00 N ATOM 19 CA SER A 3 -6.912 -23.103 11.068 1.00 0.00 C ATOM 20 C SER A 3 -6.430 -21.692 10.719 1.00 0.00 C ATOM 21 O SER A 3 -6.386 -20.816 11.583 1.00 0.00 O ATOM 22 CB SER A 3 -8.358 -23.296 10.611 1.00 0.00 C ATOM 23 OG SER A 3 -9.233 -22.327 11.183 1.00 0.00 O ATOM 0 H SER A 3 -6.468 -22.524 13.032 1.00 0.00 H new ATOM 0 HA SER A 3 -6.295 -23.833 10.544 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.406 -23.231 9.524 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.695 -24.296 10.886 1.00 0.00 H new ATOM 0 HG SER A 3 -10.147 -22.483 10.865 1.00 0.00 H new ATOM 28 N GLY A 4 -6.081 -21.515 9.453 1.00 0.00 N ATOM 29 CA GLY A 4 -5.605 -20.226 8.981 1.00 0.00 C ATOM 30 C GLY A 4 -6.773 -19.333 8.557 1.00 0.00 C ATOM 31 O GLY A 4 -6.747 -18.744 7.476 1.00 0.00 O ATOM 0 H GLY A 4 -6.118 -22.243 8.740 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.034 -19.734 9.769 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.928 -20.370 8.139 1.00 0.00 H new ATOM 35 N SER A 5 -7.768 -19.259 9.429 1.00 0.00 N ATOM 36 CA SER A 5 -8.942 -18.446 9.158 1.00 0.00 C ATOM 37 C SER A 5 -9.717 -19.026 7.972 1.00 0.00 C ATOM 38 O SER A 5 -9.264 -18.948 6.832 1.00 0.00 O ATOM 39 CB SER A 5 -8.554 -16.993 8.878 1.00 0.00 C ATOM 40 OG SER A 5 -8.999 -16.115 9.908 1.00 0.00 O ATOM 0 H SER A 5 -7.785 -19.749 10.324 1.00 0.00 H new ATOM 0 HA SER A 5 -9.579 -18.459 10.043 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.471 -16.919 8.781 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.981 -16.681 7.925 1.00 0.00 H new ATOM 0 HG SER A 5 -8.731 -15.197 9.694 1.00 0.00 H new ATOM 45 N SER A 6 -10.872 -19.597 8.284 1.00 0.00 N ATOM 46 CA SER A 6 -11.714 -20.190 7.259 1.00 0.00 C ATOM 47 C SER A 6 -12.859 -19.237 6.907 1.00 0.00 C ATOM 48 O SER A 6 -13.971 -19.387 7.412 1.00 0.00 O ATOM 49 CB SER A 6 -12.267 -21.541 7.715 1.00 0.00 C ATOM 50 OG SER A 6 -11.896 -22.595 6.830 1.00 0.00 O ATOM 0 H SER A 6 -11.244 -19.661 9.232 1.00 0.00 H new ATOM 0 HA SER A 6 -11.105 -20.359 6.371 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.901 -21.763 8.717 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.354 -21.486 7.778 1.00 0.00 H new ATOM 0 HG SER A 6 -12.267 -23.442 7.156 1.00 0.00 H new ATOM 55 N GLY A 7 -12.548 -18.281 6.045 1.00 0.00 N ATOM 56 CA GLY A 7 -13.538 -17.306 5.620 1.00 0.00 C ATOM 57 C GLY A 7 -13.526 -16.079 6.534 1.00 0.00 C ATOM 58 O GLY A 7 -13.481 -16.211 7.756 1.00 0.00 O ATOM 0 H GLY A 7 -11.624 -18.160 5.629 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.336 -17.001 4.593 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.529 -17.761 5.629 1.00 0.00 H new ATOM 62 N GLY A 8 -13.566 -14.914 5.906 1.00 0.00 N ATOM 63 CA GLY A 8 -13.560 -13.664 6.648 1.00 0.00 C ATOM 64 C GLY A 8 -12.313 -12.840 6.324 1.00 0.00 C ATOM 65 O GLY A 8 -11.298 -13.386 5.897 1.00 0.00 O ATOM 0 H GLY A 8 -13.603 -14.808 4.892 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -14.453 -13.089 6.405 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -13.595 -13.872 7.717 1.00 0.00 H new ATOM 69 N PRO A 9 -12.432 -11.503 6.547 1.00 0.00 N ATOM 70 CA PRO A 9 -11.327 -10.599 6.283 1.00 0.00 C ATOM 71 C PRO A 9 -10.252 -10.717 7.365 1.00 0.00 C ATOM 72 O PRO A 9 -10.568 -10.851 8.545 1.00 0.00 O ATOM 73 CB PRO A 9 -11.956 -9.216 6.218 1.00 0.00 C ATOM 74 CG PRO A 9 -13.307 -9.340 6.905 1.00 0.00 C ATOM 75 CD PRO A 9 -13.620 -10.821 7.051 1.00 0.00 C ATOM 0 HA PRO A 9 -10.808 -10.829 5.353 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -11.329 -8.478 6.719 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -12.072 -8.888 5.185 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -13.285 -8.856 7.881 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -14.080 -8.842 6.320 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -13.816 -11.084 8.091 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -14.507 -11.096 6.480 1.00 0.00 H new ATOM 80 N LYS A 10 -9.004 -10.659 6.923 1.00 0.00 N ATOM 81 CA LYS A 10 -7.881 -10.758 7.840 1.00 0.00 C ATOM 82 C LYS A 10 -7.528 -9.364 8.358 1.00 0.00 C ATOM 83 O LYS A 10 -7.622 -8.381 7.624 1.00 0.00 O ATOM 84 CB LYS A 10 -6.708 -11.482 7.174 1.00 0.00 C ATOM 85 CG LYS A 10 -5.408 -11.241 7.942 1.00 0.00 C ATOM 86 CD LYS A 10 -5.369 -12.069 9.228 1.00 0.00 C ATOM 87 CE LYS A 10 -3.981 -12.672 9.450 1.00 0.00 C ATOM 88 NZ LYS A 10 -4.036 -13.738 10.475 1.00 0.00 N ATOM 0 H LYS A 10 -8.746 -10.545 5.943 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.148 -11.363 8.707 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.915 -12.551 7.128 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.597 -11.135 6.147 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.556 -11.500 7.313 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.315 -10.182 8.184 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.636 -11.441 10.078 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.111 -12.866 9.175 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.601 -13.080 8.513 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.286 -11.893 9.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -3.085 -14.136 10.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.378 -13.339 11.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.683 -14.489 10.161 1.00 0.00 H new ATOM 98 N THR A 11 -7.128 -9.320 9.621 1.00 0.00 N ATOM 99 CA THR A 11 -6.761 -8.061 10.246 1.00 0.00 C ATOM 100 C THR A 11 -5.442 -8.210 11.009 1.00 0.00 C ATOM 101 O THR A 11 -5.218 -9.218 11.678 1.00 0.00 O ATOM 102 CB THR A 11 -7.927 -7.613 11.130 1.00 0.00 C ATOM 103 OG1 THR A 11 -9.033 -7.542 10.236 1.00 0.00 O ATOM 104 CG2 THR A 11 -7.760 -6.180 11.636 1.00 0.00 C ATOM 0 H THR A 11 -7.050 -10.136 10.228 1.00 0.00 H new ATOM 0 HA THR A 11 -6.584 -7.286 9.500 1.00 0.00 H new ATOM 0 HB THR A 11 -8.019 -8.288 11.981 1.00 0.00 H new ATOM 0 HG1 THR A 11 -9.833 -7.260 10.727 1.00 0.00 H new ATOM 0 HG21 THR A 11 -8.614 -5.912 12.258 1.00 0.00 H new ATOM 0 HG22 THR A 11 -6.845 -6.106 12.224 1.00 0.00 H new ATOM 0 HG23 THR A 11 -7.702 -5.499 10.787 1.00 0.00 H new ATOM 112 N VAL A 12 -4.604 -7.191 10.883 1.00 0.00 N ATOM 113 CA VAL A 12 -3.314 -7.196 11.552 1.00 0.00 C ATOM 114 C VAL A 12 -3.040 -5.807 12.133 1.00 0.00 C ATOM 115 O VAL A 12 -3.162 -4.802 11.430 1.00 0.00 O ATOM 116 CB VAL A 12 -2.225 -7.667 10.586 1.00 0.00 C ATOM 117 CG1 VAL A 12 -2.051 -9.184 10.653 1.00 0.00 C ATOM 118 CG2 VAL A 12 -2.527 -7.212 9.157 1.00 0.00 C ATOM 0 H VAL A 12 -4.793 -6.357 10.328 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.318 -7.901 12.384 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.284 -7.209 10.892 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.271 -9.492 9.957 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.769 -9.473 11.665 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.989 -9.670 10.385 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.738 -7.560 8.490 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.482 -7.628 8.837 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.576 -6.124 9.124 1.00 0.00 H new ATOM 128 N THR A 13 -2.675 -5.793 13.405 1.00 0.00 N ATOM 129 CA THR A 13 -2.383 -4.544 14.086 1.00 0.00 C ATOM 130 C THR A 13 -0.871 -4.354 14.227 1.00 0.00 C ATOM 131 O THR A 13 -0.143 -5.312 14.478 1.00 0.00 O ATOM 132 CB THR A 13 -3.122 -4.552 15.427 1.00 0.00 C ATOM 133 OG1 THR A 13 -4.466 -4.872 15.080 1.00 0.00 O ATOM 134 CG2 THR A 13 -3.219 -3.158 16.050 1.00 0.00 C ATOM 0 H THR A 13 -2.575 -6.627 13.983 1.00 0.00 H new ATOM 0 HA THR A 13 -2.734 -3.688 13.510 1.00 0.00 H new ATOM 0 HB THR A 13 -2.613 -5.224 16.118 1.00 0.00 H new ATOM 0 HG1 THR A 13 -5.015 -4.900 15.891 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.752 -3.220 16.999 1.00 0.00 H new ATOM 0 HG22 THR A 13 -2.217 -2.766 16.222 1.00 0.00 H new ATOM 0 HG23 THR A 13 -3.758 -2.494 15.374 1.00 0.00 H new ATOM 142 N LEU A 14 -0.445 -3.110 14.061 1.00 0.00 N ATOM 143 CA LEU A 14 0.967 -2.783 14.165 1.00 0.00 C ATOM 144 C LEU A 14 1.139 -1.580 15.096 1.00 0.00 C ATOM 145 O LEU A 14 0.254 -0.731 15.187 1.00 0.00 O ATOM 146 CB LEU A 14 1.574 -2.578 12.777 1.00 0.00 C ATOM 147 CG LEU A 14 1.499 -3.776 11.828 1.00 0.00 C ATOM 148 CD1 LEU A 14 0.140 -3.838 11.129 1.00 0.00 C ATOM 149 CD2 LEU A 14 2.658 -3.758 10.829 1.00 0.00 C ATOM 0 H LEU A 14 -1.053 -2.317 13.855 1.00 0.00 H new ATOM 0 HA LEU A 14 1.519 -3.612 14.608 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.073 -1.733 12.304 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.621 -2.300 12.898 1.00 0.00 H new ATOM 0 HG LEU A 14 1.598 -4.686 12.419 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.114 -4.699 10.460 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.649 -3.934 11.875 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.015 -2.926 10.553 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.581 -4.620 10.167 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.616 -2.842 10.239 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.604 -3.799 11.369 1.00 0.00 H new ATOM 160 N LYS A 15 2.284 -1.547 15.762 1.00 0.00 N ATOM 161 CA LYS A 15 2.583 -0.462 16.681 1.00 0.00 C ATOM 162 C LYS A 15 3.698 0.404 16.095 1.00 0.00 C ATOM 163 O LYS A 15 4.708 -0.113 15.621 1.00 0.00 O ATOM 164 CB LYS A 15 2.900 -1.012 18.074 1.00 0.00 C ATOM 165 CG LYS A 15 1.772 -1.918 18.575 1.00 0.00 C ATOM 166 CD LYS A 15 1.273 -1.464 19.948 1.00 0.00 C ATOM 167 CE LYS A 15 0.576 -2.609 20.685 1.00 0.00 C ATOM 168 NZ LYS A 15 0.866 -2.545 22.134 1.00 0.00 N ATOM 0 H LYS A 15 3.015 -2.254 15.684 1.00 0.00 H new ATOM 0 HA LYS A 15 1.712 0.181 16.807 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.835 -1.572 18.044 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.045 -0.186 18.771 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.947 -1.906 17.862 1.00 0.00 H new ATOM 0 HG3 LYS A 15 2.127 -2.947 18.635 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.112 -1.102 20.542 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.582 -0.629 19.830 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -0.500 -2.553 20.521 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.911 -3.565 20.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 0.385 -3.329 22.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 1.892 -2.620 22.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 0.525 -1.640 22.517 1.00 0.00 H new ATOM 178 N ARG A 16 3.479 1.711 16.146 1.00 0.00 N ATOM 179 CA ARG A 16 4.453 2.654 15.626 1.00 0.00 C ATOM 180 C ARG A 16 5.816 2.426 16.282 1.00 0.00 C ATOM 181 O ARG A 16 5.982 2.663 17.477 1.00 0.00 O ATOM 182 CB ARG A 16 4.010 4.097 15.875 1.00 0.00 C ATOM 183 CG ARG A 16 4.966 5.087 15.205 1.00 0.00 C ATOM 184 CD ARG A 16 4.198 6.091 14.342 1.00 0.00 C ATOM 185 NE ARG A 16 5.028 7.292 14.103 1.00 0.00 N ATOM 186 CZ ARG A 16 4.546 8.466 13.672 1.00 0.00 C ATOM 187 NH1 ARG A 16 3.234 8.602 13.427 1.00 0.00 N ATOM 188 NH2 ARG A 16 5.373 9.503 13.483 1.00 0.00 N ATOM 0 H ARG A 16 2.641 2.138 16.540 1.00 0.00 H new ATOM 0 HA ARG A 16 4.531 2.490 14.551 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.001 4.243 15.490 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.973 4.290 16.947 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.537 5.618 15.966 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.683 4.545 14.588 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.925 5.632 13.392 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.269 6.373 14.838 1.00 0.00 H new ATOM 0 HE ARG A 16 6.031 7.222 14.277 1.00 0.00 H new ATOM 0 HH11 ARG A 16 2.604 7.812 13.569 1.00 0.00 H new ATOM 0 HH12 ARG A 16 2.866 9.495 13.099 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.371 9.400 13.667 1.00 0.00 H new ATOM 0 HH22 ARG A 16 5.005 10.396 13.155 1.00 0.00 H new ATOM 199 N THR A 17 6.759 1.968 15.470 1.00 0.00 N ATOM 200 CA THR A 17 8.102 1.706 15.956 1.00 0.00 C ATOM 201 C THR A 17 9.141 2.187 14.942 1.00 0.00 C ATOM 202 O THR A 17 9.162 1.727 13.802 1.00 0.00 O ATOM 203 CB THR A 17 8.208 0.212 16.271 1.00 0.00 C ATOM 204 OG1 THR A 17 9.338 0.118 17.134 1.00 0.00 O ATOM 205 CG2 THR A 17 8.603 -0.617 15.047 1.00 0.00 C ATOM 0 H THR A 17 6.618 1.772 14.479 1.00 0.00 H new ATOM 0 HA THR A 17 8.306 2.262 16.871 1.00 0.00 H new ATOM 0 HB THR A 17 7.254 -0.146 16.660 1.00 0.00 H new ATOM 0 HG1 THR A 17 9.478 -0.818 17.389 1.00 0.00 H new ATOM 0 HG21 THR A 17 8.664 -1.669 15.325 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.854 -0.491 14.265 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.572 -0.282 14.678 1.00 0.00 H new ATOM 213 N SER A 18 9.978 3.111 15.394 1.00 0.00 N ATOM 214 CA SER A 18 11.017 3.661 14.539 1.00 0.00 C ATOM 215 C SER A 18 10.417 4.099 13.201 1.00 0.00 C ATOM 216 O SER A 18 10.933 3.747 12.142 1.00 0.00 O ATOM 217 CB SER A 18 12.137 2.644 14.310 1.00 0.00 C ATOM 218 OG SER A 18 12.517 1.988 15.518 1.00 0.00 O ATOM 0 H SER A 18 9.958 3.492 16.340 1.00 0.00 H new ATOM 0 HA SER A 18 11.447 4.529 15.039 1.00 0.00 H new ATOM 0 HB2 SER A 18 11.810 1.902 13.582 1.00 0.00 H new ATOM 0 HB3 SER A 18 13.004 3.149 13.883 1.00 0.00 H new ATOM 0 HG SER A 18 13.233 1.346 15.330 1.00 0.00 H new ATOM 223 N GLN A 19 9.336 4.859 13.295 1.00 0.00 N ATOM 224 CA GLN A 19 8.660 5.348 12.104 1.00 0.00 C ATOM 225 C GLN A 19 8.030 4.185 11.336 1.00 0.00 C ATOM 226 O GLN A 19 6.808 4.043 11.309 1.00 0.00 O ATOM 227 CB GLN A 19 9.622 6.136 11.214 1.00 0.00 C ATOM 228 CG GLN A 19 10.175 7.358 11.950 1.00 0.00 C ATOM 229 CD GLN A 19 11.700 7.418 11.843 1.00 0.00 C ATOM 230 OE1 GLN A 19 12.408 6.479 12.165 1.00 0.00 O ATOM 231 NE2 GLN A 19 12.164 8.574 11.375 1.00 0.00 N ATOM 0 H GLN A 19 8.911 5.148 14.176 1.00 0.00 H new ATOM 0 HA GLN A 19 7.865 6.026 12.413 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.444 5.492 10.902 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.106 6.455 10.308 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.741 8.266 11.531 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.882 7.319 12.999 1.00 0.00 H new ATOM 0 HE21 GLN A 19 11.515 9.320 11.124 1.00 0.00 H new ATOM 0 HE22 GLN A 19 13.169 8.714 11.267 1.00 0.00 H new ATOM 238 N GLY A 20 8.891 3.381 10.730 1.00 0.00 N ATOM 239 CA GLY A 20 8.434 2.235 9.964 1.00 0.00 C ATOM 240 C GLY A 20 7.640 1.267 10.844 1.00 0.00 C ATOM 241 O GLY A 20 7.538 1.465 12.054 1.00 0.00 O ATOM 0 H GLY A 20 9.904 3.501 10.754 1.00 0.00 H new ATOM 0 HA2 GLY A 20 7.812 2.572 9.135 1.00 0.00 H new ATOM 0 HA3 GLY A 20 9.290 1.718 9.530 1.00 0.00 H new ATOM 245 N PHE A 21 7.098 0.243 10.201 1.00 0.00 N ATOM 246 CA PHE A 21 6.317 -0.756 10.912 1.00 0.00 C ATOM 247 C PHE A 21 6.780 -2.170 10.553 1.00 0.00 C ATOM 248 O PHE A 21 5.962 -3.079 10.421 1.00 0.00 O ATOM 249 CB PHE A 21 4.861 -0.581 10.472 1.00 0.00 C ATOM 250 CG PHE A 21 4.193 0.679 11.023 1.00 0.00 C ATOM 251 CD1 PHE A 21 4.550 1.902 10.545 1.00 0.00 C ATOM 252 CD2 PHE A 21 3.241 0.577 11.988 1.00 0.00 C ATOM 253 CE1 PHE A 21 3.929 3.073 11.057 1.00 0.00 C ATOM 254 CE2 PHE A 21 2.619 1.747 12.500 1.00 0.00 C ATOM 255 CZ PHE A 21 2.977 2.970 12.023 1.00 0.00 C ATOM 0 H PHE A 21 7.184 0.083 9.197 1.00 0.00 H new ATOM 0 HA PHE A 21 6.435 -0.626 11.988 1.00 0.00 H new ATOM 0 HB2 PHE A 21 4.822 -0.554 9.383 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.289 -1.452 10.790 1.00 0.00 H new ATOM 0 HD1 PHE A 21 5.305 1.983 9.777 1.00 0.00 H new ATOM 0 HD2 PHE A 21 2.957 -0.394 12.366 1.00 0.00 H new ATOM 0 HE1 PHE A 21 4.213 4.044 10.679 1.00 0.00 H new ATOM 0 HE2 PHE A 21 1.863 1.666 13.267 1.00 0.00 H new ATOM 0 HZ PHE A 21 2.505 3.860 12.412 1.00 0.00 H new ATOM 264 N GLY A 22 8.089 -2.310 10.408 1.00 0.00 N ATOM 265 CA GLY A 22 8.670 -3.598 10.068 1.00 0.00 C ATOM 266 C GLY A 22 8.565 -3.867 8.565 1.00 0.00 C ATOM 267 O GLY A 22 9.551 -3.750 7.839 1.00 0.00 O ATOM 0 H GLY A 22 8.764 -1.553 10.520 1.00 0.00 H new ATOM 0 HA2 GLY A 22 9.716 -3.621 10.373 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.160 -4.388 10.619 1.00 0.00 H new ATOM 271 N PHE A 23 7.360 -4.222 8.143 1.00 0.00 N ATOM 272 CA PHE A 23 7.114 -4.508 6.740 1.00 0.00 C ATOM 273 C PHE A 23 7.265 -3.248 5.887 1.00 0.00 C ATOM 274 O PHE A 23 7.586 -2.179 6.405 1.00 0.00 O ATOM 275 CB PHE A 23 5.672 -5.011 6.633 1.00 0.00 C ATOM 276 CG PHE A 23 4.633 -3.897 6.490 1.00 0.00 C ATOM 277 CD1 PHE A 23 4.397 -3.051 7.528 1.00 0.00 C ATOM 278 CD2 PHE A 23 3.946 -3.754 5.325 1.00 0.00 C ATOM 279 CE1 PHE A 23 3.432 -2.017 7.395 1.00 0.00 C ATOM 280 CE2 PHE A 23 2.982 -2.719 5.192 1.00 0.00 C ATOM 281 CZ PHE A 23 2.746 -1.872 6.230 1.00 0.00 C ATOM 0 H PHE A 23 6.544 -4.318 8.748 1.00 0.00 H new ATOM 0 HA PHE A 23 7.832 -5.245 6.380 1.00 0.00 H new ATOM 0 HB2 PHE A 23 5.594 -5.679 5.775 1.00 0.00 H new ATOM 0 HB3 PHE A 23 5.437 -5.601 7.519 1.00 0.00 H new ATOM 0 HD1 PHE A 23 4.943 -3.165 8.453 1.00 0.00 H new ATOM 0 HD2 PHE A 23 4.133 -4.427 4.501 1.00 0.00 H new ATOM 0 HE1 PHE A 23 3.243 -1.346 8.220 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.437 -2.605 4.267 1.00 0.00 H new ATOM 0 HZ PHE A 23 2.014 -1.085 6.129 1.00 0.00 H new ATOM 290 N THR A 24 7.029 -3.413 4.594 1.00 0.00 N ATOM 291 CA THR A 24 7.136 -2.302 3.665 1.00 0.00 C ATOM 292 C THR A 24 6.316 -2.580 2.403 1.00 0.00 C ATOM 293 O THR A 24 5.918 -3.719 2.156 1.00 0.00 O ATOM 294 CB THR A 24 8.620 -2.061 3.384 1.00 0.00 C ATOM 295 OG1 THR A 24 8.623 -1.058 2.370 1.00 0.00 O ATOM 296 CG2 THR A 24 9.293 -3.264 2.722 1.00 0.00 C ATOM 0 H THR A 24 6.764 -4.301 4.168 1.00 0.00 H new ATOM 0 HA THR A 24 6.719 -1.390 4.091 1.00 0.00 H new ATOM 0 HB THR A 24 9.133 -1.827 4.317 1.00 0.00 H new ATOM 0 HG1 THR A 24 9.547 -0.840 2.128 1.00 0.00 H new ATOM 0 HG21 THR A 24 10.345 -3.040 2.544 1.00 0.00 H new ATOM 0 HG22 THR A 24 9.212 -4.132 3.376 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.802 -3.479 1.773 1.00 0.00 H new ATOM 304 N LEU A 25 6.089 -1.523 1.638 1.00 0.00 N ATOM 305 CA LEU A 25 5.324 -1.639 0.408 1.00 0.00 C ATOM 306 C LEU A 25 6.265 -1.493 -0.789 1.00 0.00 C ATOM 307 O LEU A 25 7.471 -1.315 -0.617 1.00 0.00 O ATOM 308 CB LEU A 25 4.163 -0.643 0.403 1.00 0.00 C ATOM 309 CG LEU A 25 3.083 -0.866 1.463 1.00 0.00 C ATOM 310 CD1 LEU A 25 2.895 -2.357 1.749 1.00 0.00 C ATOM 311 CD2 LEU A 25 3.388 -0.072 2.734 1.00 0.00 C ATOM 0 H LEU A 25 6.422 -0.581 1.846 1.00 0.00 H new ATOM 0 HA LEU A 25 4.867 -2.626 0.336 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.570 0.360 0.533 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.691 -0.670 -0.579 1.00 0.00 H new ATOM 0 HG LEU A 25 2.138 -0.492 1.070 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.122 -2.488 2.506 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.597 -2.868 0.834 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.832 -2.779 2.111 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.604 -0.249 3.470 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.347 -0.391 3.141 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.430 0.991 2.498 1.00 0.00 H new ATOM 322 N ARG A 26 5.681 -1.576 -1.975 1.00 0.00 N ATOM 323 CA ARG A 26 6.453 -1.455 -3.199 1.00 0.00 C ATOM 324 C ARG A 26 6.096 -0.156 -3.926 1.00 0.00 C ATOM 325 O ARG A 26 4.920 0.171 -4.078 1.00 0.00 O ATOM 326 CB ARG A 26 6.196 -2.640 -4.131 1.00 0.00 C ATOM 327 CG ARG A 26 7.376 -3.614 -4.119 1.00 0.00 C ATOM 328 CD ARG A 26 8.142 -3.566 -5.442 1.00 0.00 C ATOM 329 NE ARG A 26 7.594 -4.573 -6.380 1.00 0.00 N ATOM 330 CZ ARG A 26 7.750 -5.895 -6.237 1.00 0.00 C ATOM 331 NH1 ARG A 26 8.437 -6.381 -5.194 1.00 0.00 N ATOM 332 NH2 ARG A 26 7.219 -6.734 -7.138 1.00 0.00 N ATOM 0 H ARG A 26 4.682 -1.726 -2.114 1.00 0.00 H new ATOM 0 HA ARG A 26 7.508 -1.444 -2.926 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.288 -3.159 -3.823 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.028 -2.279 -5.146 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.048 -3.367 -3.297 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.014 -4.627 -3.941 1.00 0.00 H new ATOM 0 HD2 ARG A 26 8.067 -2.570 -5.879 1.00 0.00 H new ATOM 0 HD3 ARG A 26 9.200 -3.758 -5.266 1.00 0.00 H new ATOM 0 HE ARG A 26 7.065 -4.238 -7.185 1.00 0.00 H new ATOM 0 HH11 ARG A 26 8.842 -5.744 -4.508 1.00 0.00 H new ATOM 0 HH12 ARG A 26 8.555 -7.388 -5.086 1.00 0.00 H new ATOM 0 HH21 ARG A 26 6.696 -6.365 -7.932 1.00 0.00 H new ATOM 0 HH22 ARG A 26 7.338 -7.741 -7.029 1.00 0.00 H new ATOM 343 N HIS A 27 7.133 0.546 -4.358 1.00 0.00 N ATOM 344 CA HIS A 27 6.942 1.802 -5.065 1.00 0.00 C ATOM 345 C HIS A 27 5.746 1.682 -6.012 1.00 0.00 C ATOM 346 O HIS A 27 5.550 0.644 -6.641 1.00 0.00 O ATOM 347 CB HIS A 27 8.227 2.221 -5.783 1.00 0.00 C ATOM 348 CG HIS A 27 9.100 3.158 -4.985 1.00 0.00 C ATOM 349 ND1 HIS A 27 10.483 3.103 -5.013 1.00 0.00 N ATOM 350 CD2 HIS A 27 8.772 4.177 -4.138 1.00 0.00 C ATOM 351 CE1 HIS A 27 10.955 4.048 -4.213 1.00 0.00 C ATOM 352 NE2 HIS A 27 9.893 4.713 -3.672 1.00 0.00 N ATOM 0 H HIS A 27 8.107 0.270 -4.233 1.00 0.00 H new ATOM 0 HA HIS A 27 6.717 2.595 -4.351 1.00 0.00 H new ATOM 0 HB2 HIS A 27 8.801 1.328 -6.029 1.00 0.00 H new ATOM 0 HB3 HIS A 27 7.964 2.701 -6.726 1.00 0.00 H new ATOM 0 HD2 HIS A 27 7.770 4.493 -3.889 1.00 0.00 H new ATOM 0 HE1 HIS A 27 11.998 4.256 -4.022 1.00 0.00 H new ATOM 0 HE2 HIS A 27 9.951 5.493 -3.018 1.00 0.00 H new ATOM 359 N PHE A 28 4.978 2.759 -6.082 1.00 0.00 N ATOM 360 CA PHE A 28 3.807 2.788 -6.940 1.00 0.00 C ATOM 361 C PHE A 28 4.205 2.710 -8.414 1.00 0.00 C ATOM 362 O PHE A 28 5.149 3.374 -8.844 1.00 0.00 O ATOM 363 CB PHE A 28 3.098 4.120 -6.686 1.00 0.00 C ATOM 364 CG PHE A 28 4.019 5.339 -6.763 1.00 0.00 C ATOM 365 CD1 PHE A 28 4.272 5.927 -7.963 1.00 0.00 C ATOM 366 CD2 PHE A 28 4.583 5.836 -5.630 1.00 0.00 C ATOM 367 CE1 PHE A 28 5.126 7.057 -8.034 1.00 0.00 C ATOM 368 CE2 PHE A 28 5.438 6.968 -5.700 1.00 0.00 C ATOM 369 CZ PHE A 28 5.691 7.555 -6.901 1.00 0.00 C ATOM 0 H PHE A 28 5.144 3.618 -5.558 1.00 0.00 H new ATOM 0 HA PHE A 28 3.164 1.936 -6.719 1.00 0.00 H new ATOM 0 HB2 PHE A 28 2.295 4.237 -7.414 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.633 4.090 -5.701 1.00 0.00 H new ATOM 0 HD1 PHE A 28 3.822 5.533 -8.862 1.00 0.00 H new ATOM 0 HD2 PHE A 28 4.381 5.370 -4.677 1.00 0.00 H new ATOM 0 HE1 PHE A 28 5.328 7.522 -8.988 1.00 0.00 H new ATOM 0 HE2 PHE A 28 5.887 7.363 -4.800 1.00 0.00 H new ATOM 0 HZ PHE A 28 6.340 8.416 -6.955 1.00 0.00 H new ATOM 378 N ILE A 29 3.468 1.892 -9.153 1.00 0.00 N ATOM 379 CA ILE A 29 3.732 1.718 -10.570 1.00 0.00 C ATOM 380 C ILE A 29 3.789 3.090 -11.247 1.00 0.00 C ATOM 381 O ILE A 29 2.753 3.670 -11.567 1.00 0.00 O ATOM 382 CB ILE A 29 2.709 0.767 -11.194 1.00 0.00 C ATOM 383 CG1 ILE A 29 2.802 -0.625 -10.568 1.00 0.00 C ATOM 384 CG2 ILE A 29 2.859 0.722 -12.715 1.00 0.00 C ATOM 385 CD1 ILE A 29 1.504 -1.407 -10.775 1.00 0.00 C ATOM 0 H ILE A 29 2.687 1.342 -8.795 1.00 0.00 H new ATOM 0 HA ILE A 29 4.703 1.247 -10.720 1.00 0.00 H new ATOM 0 HB ILE A 29 1.711 1.150 -10.980 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.635 -1.172 -11.011 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.010 -0.535 -9.502 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.120 0.039 -13.133 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.704 1.720 -13.126 1.00 0.00 H new ATOM 0 HG23 ILE A 29 3.860 0.375 -12.972 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.597 -2.393 -10.320 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.677 -0.870 -10.310 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.311 -1.516 -11.842 1.00 0.00 H new ATOM 396 N VAL A 30 5.009 3.570 -11.441 1.00 0.00 N ATOM 397 CA VAL A 30 5.213 4.862 -12.073 1.00 0.00 C ATOM 398 C VAL A 30 4.215 5.027 -13.221 1.00 0.00 C ATOM 399 O VAL A 30 3.845 4.052 -13.873 1.00 0.00 O ATOM 400 CB VAL A 30 6.668 5.000 -12.522 1.00 0.00 C ATOM 401 CG1 VAL A 30 6.942 6.400 -13.075 1.00 0.00 C ATOM 402 CG2 VAL A 30 7.629 4.665 -11.379 1.00 0.00 C ATOM 0 H VAL A 30 5.866 3.087 -11.171 1.00 0.00 H new ATOM 0 HA VAL A 30 5.028 5.668 -11.363 1.00 0.00 H new ATOM 0 HB VAL A 30 6.839 4.283 -13.325 1.00 0.00 H new ATOM 0 HG11 VAL A 30 7.984 6.470 -13.387 1.00 0.00 H new ATOM 0 HG12 VAL A 30 6.294 6.586 -13.931 1.00 0.00 H new ATOM 0 HG13 VAL A 30 6.744 7.142 -12.301 1.00 0.00 H new ATOM 0 HG21 VAL A 30 8.657 4.771 -11.725 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.455 5.346 -10.546 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.461 3.639 -11.051 1.00 0.00 H new ATOM 412 N TYR A 31 3.809 6.270 -13.434 1.00 0.00 N ATOM 413 CA TYR A 31 2.861 6.576 -14.493 1.00 0.00 C ATOM 414 C TYR A 31 3.349 7.749 -15.345 1.00 0.00 C ATOM 415 O TYR A 31 2.700 8.793 -15.400 1.00 0.00 O ATOM 416 CB TYR A 31 1.561 6.976 -13.792 1.00 0.00 C ATOM 417 CG TYR A 31 1.305 6.228 -12.482 1.00 0.00 C ATOM 418 CD1 TYR A 31 1.815 6.718 -11.297 1.00 0.00 C ATOM 419 CD2 TYR A 31 0.564 5.064 -12.485 1.00 0.00 C ATOM 420 CE1 TYR A 31 1.574 6.015 -10.064 1.00 0.00 C ATOM 421 CE2 TYR A 31 0.323 4.362 -11.252 1.00 0.00 C ATOM 422 CZ TYR A 31 0.840 4.870 -10.102 1.00 0.00 C ATOM 423 OH TYR A 31 0.612 4.206 -8.937 1.00 0.00 O ATOM 0 H TYR A 31 4.119 7.077 -12.892 1.00 0.00 H new ATOM 0 HA TYR A 31 2.734 5.718 -15.153 1.00 0.00 H new ATOM 0 HB2 TYR A 31 1.584 8.047 -13.589 1.00 0.00 H new ATOM 0 HB3 TYR A 31 0.726 6.798 -14.469 1.00 0.00 H new ATOM 0 HD1 TYR A 31 2.395 7.629 -11.295 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.165 4.680 -13.412 1.00 0.00 H new ATOM 0 HE1 TYR A 31 1.967 6.388 -9.130 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -0.256 3.451 -11.241 1.00 0.00 H new ATOM 0 HH TYR A 31 0.073 3.407 -9.116 1.00 0.00 H new ATOM 432 N PRO A 32 4.520 7.533 -16.003 1.00 0.00 N ATOM 433 CA PRO A 32 5.102 8.561 -16.849 1.00 0.00 C ATOM 434 C PRO A 32 4.341 8.680 -18.171 1.00 0.00 C ATOM 435 O PRO A 32 3.723 7.719 -18.623 1.00 0.00 O ATOM 436 CB PRO A 32 6.552 8.142 -17.034 1.00 0.00 C ATOM 437 CG PRO A 32 6.608 6.665 -16.677 1.00 0.00 C ATOM 438 CD PRO A 32 5.316 6.310 -15.960 1.00 0.00 C ATOM 0 HA PRO A 32 5.041 9.555 -16.406 1.00 0.00 H new ATOM 0 HB2 PRO A 32 6.879 8.308 -18.061 1.00 0.00 H new ATOM 0 HB3 PRO A 32 7.212 8.724 -16.391 1.00 0.00 H new ATOM 0 HG2 PRO A 32 6.725 6.059 -17.576 1.00 0.00 H new ATOM 0 HG3 PRO A 32 7.468 6.459 -16.039 1.00 0.00 H new ATOM 0 HD2 PRO A 32 4.802 5.486 -16.455 1.00 0.00 H new ATOM 0 HD3 PRO A 32 5.506 5.997 -14.933 1.00 0.00 H new ATOM 443 N PRO A 33 4.411 9.902 -18.765 1.00 0.00 N ATOM 444 CA PRO A 33 3.736 10.161 -20.025 1.00 0.00 C ATOM 445 C PRO A 33 4.482 9.510 -21.192 1.00 0.00 C ATOM 446 O PRO A 33 5.712 9.511 -21.224 1.00 0.00 O ATOM 447 CB PRO A 33 3.669 11.675 -20.133 1.00 0.00 C ATOM 448 CG PRO A 33 4.714 12.208 -19.165 1.00 0.00 C ATOM 449 CD PRO A 33 5.133 11.064 -18.257 1.00 0.00 C ATOM 0 HA PRO A 33 2.736 9.728 -20.062 1.00 0.00 H new ATOM 0 HB2 PRO A 33 3.876 12.004 -21.151 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.675 12.041 -19.876 1.00 0.00 H new ATOM 0 HG2 PRO A 33 5.574 12.599 -19.709 1.00 0.00 H new ATOM 0 HG3 PRO A 33 4.307 13.032 -18.579 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.211 10.906 -18.291 1.00 0.00 H new ATOM 0 HD3 PRO A 33 4.874 11.268 -17.218 1.00 0.00 H new ATOM 454 N GLU A 34 3.709 8.970 -22.121 1.00 0.00 N ATOM 455 CA GLU A 34 4.283 8.318 -23.287 1.00 0.00 C ATOM 456 C GLU A 34 5.229 9.272 -24.017 1.00 0.00 C ATOM 457 O GLU A 34 6.430 9.020 -24.099 1.00 0.00 O ATOM 458 CB GLU A 34 3.186 7.809 -24.224 1.00 0.00 C ATOM 459 CG GLU A 34 3.535 6.424 -24.775 1.00 0.00 C ATOM 460 CD GLU A 34 4.689 6.508 -25.776 1.00 0.00 C ATOM 461 OE1 GLU A 34 4.458 7.085 -26.862 1.00 0.00 O ATOM 462 OE2 GLU A 34 5.775 5.993 -25.435 1.00 0.00 O ATOM 0 H GLU A 34 2.689 8.970 -22.091 1.00 0.00 H new ATOM 0 HA GLU A 34 4.858 7.455 -22.951 1.00 0.00 H new ATOM 0 HB2 GLU A 34 2.238 7.763 -23.689 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.053 8.509 -25.048 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.808 5.760 -23.955 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.660 5.990 -25.259 1.00 0.00 H new ATOM 467 N SER A 35 4.652 10.350 -24.529 1.00 0.00 N ATOM 468 CA SER A 35 5.429 11.344 -25.250 1.00 0.00 C ATOM 469 C SER A 35 5.244 12.720 -24.608 1.00 0.00 C ATOM 470 O SER A 35 4.122 13.217 -24.509 1.00 0.00 O ATOM 471 CB SER A 35 5.032 11.389 -26.726 1.00 0.00 C ATOM 472 OG SER A 35 5.957 12.144 -27.505 1.00 0.00 O ATOM 0 H SER A 35 3.656 10.556 -24.459 1.00 0.00 H new ATOM 0 HA SER A 35 6.481 11.063 -25.193 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.973 10.373 -27.117 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.037 11.825 -26.821 1.00 0.00 H new ATOM 0 HG SER A 35 5.669 12.147 -28.442 1.00 0.00 H new ATOM 477 N ALA A 36 6.360 13.298 -24.187 1.00 0.00 N ATOM 478 CA ALA A 36 6.334 14.607 -23.558 1.00 0.00 C ATOM 479 C ALA A 36 7.766 15.048 -23.250 1.00 0.00 C ATOM 480 O ALA A 36 8.527 15.376 -24.159 1.00 0.00 O ATOM 481 CB ALA A 36 5.459 14.553 -22.304 1.00 0.00 C ATOM 0 H ALA A 36 7.288 12.883 -24.270 1.00 0.00 H new ATOM 0 HA ALA A 36 5.898 15.347 -24.229 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.439 15.535 -21.832 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.445 14.263 -22.580 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.868 13.823 -21.606 1.00 0.00 H new ATOM 487 N ILE A 37 8.091 15.043 -21.966 1.00 0.00 N ATOM 488 CA ILE A 37 9.418 15.440 -21.528 1.00 0.00 C ATOM 489 C ILE A 37 9.688 16.880 -21.970 1.00 0.00 C ATOM 490 O ILE A 37 10.353 17.108 -22.978 1.00 0.00 O ATOM 491 CB ILE A 37 10.465 14.439 -22.019 1.00 0.00 C ATOM 492 CG1 ILE A 37 10.125 13.019 -21.560 1.00 0.00 C ATOM 493 CG2 ILE A 37 11.871 14.860 -21.587 1.00 0.00 C ATOM 494 CD1 ILE A 37 10.473 11.995 -22.643 1.00 0.00 C ATOM 0 H ILE A 37 7.458 14.770 -21.214 1.00 0.00 H new ATOM 0 HA ILE A 37 9.481 15.424 -20.440 1.00 0.00 H new ATOM 0 HB ILE A 37 10.450 14.437 -23.109 1.00 0.00 H new ATOM 0 HG12 ILE A 37 10.672 12.787 -20.646 1.00 0.00 H new ATOM 0 HG13 ILE A 37 9.063 12.954 -21.321 1.00 0.00 H new ATOM 0 HG21 ILE A 37 12.596 14.131 -21.949 1.00 0.00 H new ATOM 0 HG22 ILE A 37 12.102 15.840 -22.005 1.00 0.00 H new ATOM 0 HG23 ILE A 37 11.918 14.909 -20.499 1.00 0.00 H new ATOM 0 HD11 ILE A 37 10.222 10.994 -22.292 1.00 0.00 H new ATOM 0 HD12 ILE A 37 9.906 12.215 -23.548 1.00 0.00 H new ATOM 0 HD13 ILE A 37 11.540 12.045 -22.862 1.00 0.00 H new ATOM 505 N GLN A 38 9.157 17.813 -21.193 1.00 0.00 N ATOM 506 CA GLN A 38 9.332 19.223 -21.492 1.00 0.00 C ATOM 507 C GLN A 38 8.925 20.075 -20.288 1.00 0.00 C ATOM 508 O GLN A 38 8.305 21.126 -20.448 1.00 0.00 O ATOM 509 CB GLN A 38 8.540 19.622 -22.739 1.00 0.00 C ATOM 510 CG GLN A 38 7.036 19.591 -22.468 1.00 0.00 C ATOM 511 CD GLN A 38 6.414 18.285 -22.963 1.00 0.00 C ATOM 512 OE1 GLN A 38 5.731 17.579 -22.240 1.00 0.00 O ATOM 513 NE2 GLN A 38 6.690 18.003 -24.233 1.00 0.00 N ATOM 0 H GLN A 38 8.606 17.619 -20.357 1.00 0.00 H new ATOM 0 HA GLN A 38 10.387 19.402 -21.700 1.00 0.00 H new ATOM 0 HB2 GLN A 38 8.835 20.622 -23.057 1.00 0.00 H new ATOM 0 HB3 GLN A 38 8.779 18.944 -23.558 1.00 0.00 H new ATOM 0 HG2 GLN A 38 6.854 19.702 -21.399 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.557 20.436 -22.963 1.00 0.00 H new ATOM 0 HE21 GLN A 38 7.269 18.638 -24.782 1.00 0.00 H new ATOM 0 HE22 GLN A 38 6.323 17.151 -24.658 1.00 0.00 H new ATOM 520 N PHE A 39 9.288 19.591 -19.110 1.00 0.00 N ATOM 521 CA PHE A 39 8.967 20.295 -17.880 1.00 0.00 C ATOM 522 C PHE A 39 10.089 20.140 -16.852 1.00 0.00 C ATOM 523 O PHE A 39 10.188 19.111 -16.185 1.00 0.00 O ATOM 524 CB PHE A 39 7.690 19.662 -17.323 1.00 0.00 C ATOM 525 CG PHE A 39 6.808 20.634 -16.534 1.00 0.00 C ATOM 526 CD1 PHE A 39 6.102 21.594 -17.187 1.00 0.00 C ATOM 527 CD2 PHE A 39 6.731 20.534 -15.180 1.00 0.00 C ATOM 528 CE1 PHE A 39 5.284 22.495 -16.456 1.00 0.00 C ATOM 529 CE2 PHE A 39 5.913 21.436 -14.448 1.00 0.00 C ATOM 530 CZ PHE A 39 5.207 22.397 -15.101 1.00 0.00 C ATOM 0 H PHE A 39 9.802 18.719 -18.981 1.00 0.00 H new ATOM 0 HA PHE A 39 8.839 21.359 -18.082 1.00 0.00 H new ATOM 0 HB2 PHE A 39 7.110 19.250 -18.149 1.00 0.00 H new ATOM 0 HB3 PHE A 39 7.962 18.827 -16.677 1.00 0.00 H new ATOM 0 HD1 PHE A 39 6.163 21.672 -18.262 1.00 0.00 H new ATOM 0 HD2 PHE A 39 7.291 19.770 -14.662 1.00 0.00 H new ATOM 0 HE1 PHE A 39 4.723 23.258 -16.975 1.00 0.00 H new ATOM 0 HE2 PHE A 39 5.852 21.358 -13.373 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.585 23.082 -14.544 1.00 0.00 H new ATOM 539 N SER A 40 10.907 21.178 -16.754 1.00 0.00 N ATOM 540 CA SER A 40 12.019 21.170 -15.820 1.00 0.00 C ATOM 541 C SER A 40 12.925 19.969 -16.094 1.00 0.00 C ATOM 542 O SER A 40 12.674 19.195 -17.015 1.00 0.00 O ATOM 543 CB SER A 40 11.520 21.139 -14.373 1.00 0.00 C ATOM 544 OG SER A 40 11.147 22.435 -13.909 1.00 0.00 O ATOM 0 H SER A 40 10.821 22.031 -17.307 1.00 0.00 H new ATOM 0 HA SER A 40 12.591 22.087 -15.961 1.00 0.00 H new ATOM 0 HB2 SER A 40 10.665 20.467 -14.299 1.00 0.00 H new ATOM 0 HB3 SER A 40 12.300 20.734 -13.729 1.00 0.00 H new ATOM 0 HG SER A 40 10.833 22.373 -12.983 1.00 0.00 H new ATOM 549 N TYR A 41 13.961 19.851 -15.275 1.00 0.00 N ATOM 550 CA TYR A 41 14.906 18.757 -15.418 1.00 0.00 C ATOM 551 C TYR A 41 14.985 17.928 -14.134 1.00 0.00 C ATOM 552 O TYR A 41 15.049 16.700 -14.187 1.00 0.00 O ATOM 553 CB TYR A 41 16.268 19.408 -15.675 1.00 0.00 C ATOM 554 CG TYR A 41 16.425 20.791 -15.042 1.00 0.00 C ATOM 555 CD1 TYR A 41 15.699 21.859 -15.528 1.00 0.00 C ATOM 556 CD2 TYR A 41 17.294 20.971 -13.984 1.00 0.00 C ATOM 557 CE1 TYR A 41 15.848 23.162 -14.932 1.00 0.00 C ATOM 558 CE2 TYR A 41 17.443 22.274 -13.389 1.00 0.00 C ATOM 559 CZ TYR A 41 16.711 23.304 -13.893 1.00 0.00 C ATOM 560 OH TYR A 41 16.853 24.536 -13.330 1.00 0.00 O ATOM 0 H TYR A 41 14.166 20.495 -14.511 1.00 0.00 H new ATOM 0 HA TYR A 41 14.602 18.090 -16.225 1.00 0.00 H new ATOM 0 HB2 TYR A 41 17.050 18.753 -15.292 1.00 0.00 H new ATOM 0 HB3 TYR A 41 16.422 19.492 -16.751 1.00 0.00 H new ATOM 0 HD1 TYR A 41 15.019 21.718 -16.355 1.00 0.00 H new ATOM 0 HD2 TYR A 41 17.862 20.135 -13.603 1.00 0.00 H new ATOM 0 HE1 TYR A 41 15.286 24.007 -15.303 1.00 0.00 H new ATOM 0 HE2 TYR A 41 18.120 22.430 -12.562 1.00 0.00 H new ATOM 0 HH TYR A 41 17.502 24.488 -12.597 1.00 0.00 H new ATOM 569 N LYS A 42 14.975 18.633 -13.012 1.00 0.00 N ATOM 570 CA LYS A 42 15.044 17.977 -11.717 1.00 0.00 C ATOM 571 C LYS A 42 14.167 18.736 -10.719 1.00 0.00 C ATOM 572 O LYS A 42 14.647 19.626 -10.018 1.00 0.00 O ATOM 573 CB LYS A 42 16.499 17.827 -11.268 1.00 0.00 C ATOM 574 CG LYS A 42 17.080 16.489 -11.727 1.00 0.00 C ATOM 575 CD LYS A 42 16.769 15.382 -10.717 1.00 0.00 C ATOM 576 CE LYS A 42 16.199 14.146 -11.416 1.00 0.00 C ATOM 577 NZ LYS A 42 17.200 13.057 -11.443 1.00 0.00 N ATOM 0 H LYS A 42 14.920 19.651 -12.973 1.00 0.00 H new ATOM 0 HA LYS A 42 14.650 16.963 -11.782 1.00 0.00 H new ATOM 0 HB2 LYS A 42 17.095 18.644 -11.674 1.00 0.00 H new ATOM 0 HB3 LYS A 42 16.557 17.899 -10.182 1.00 0.00 H new ATOM 0 HG2 LYS A 42 16.668 16.224 -12.701 1.00 0.00 H new ATOM 0 HG3 LYS A 42 18.159 16.580 -11.851 1.00 0.00 H new ATOM 0 HD2 LYS A 42 17.676 15.112 -10.177 1.00 0.00 H new ATOM 0 HD3 LYS A 42 16.055 15.748 -9.979 1.00 0.00 H new ATOM 0 HE2 LYS A 42 15.301 13.810 -10.898 1.00 0.00 H new ATOM 0 HE3 LYS A 42 15.903 14.401 -12.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 16.796 12.226 -11.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 18.046 13.376 -11.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 17.463 12.803 -10.469 1.00 0.00 H new ATOM 587 N ASP A 43 12.899 18.357 -10.686 1.00 0.00 N ATOM 588 CA ASP A 43 11.950 18.991 -9.785 1.00 0.00 C ATOM 589 C ASP A 43 10.621 18.234 -9.835 1.00 0.00 C ATOM 590 O ASP A 43 10.365 17.485 -10.775 1.00 0.00 O ATOM 591 CB ASP A 43 11.685 20.441 -10.197 1.00 0.00 C ATOM 592 CG ASP A 43 11.842 21.470 -9.077 1.00 0.00 C ATOM 593 OD1 ASP A 43 12.795 21.309 -8.287 1.00 0.00 O ATOM 594 OD2 ASP A 43 11.004 22.397 -9.037 1.00 0.00 O ATOM 0 H ASP A 43 12.505 17.618 -11.269 1.00 0.00 H new ATOM 0 HA ASP A 43 12.374 18.973 -8.781 1.00 0.00 H new ATOM 0 HB2 ASP A 43 12.365 20.702 -11.008 1.00 0.00 H new ATOM 0 HB3 ASP A 43 10.673 20.511 -10.595 1.00 0.00 H new ATOM 598 N GLU A 44 9.813 18.457 -8.810 1.00 0.00 N ATOM 599 CA GLU A 44 8.516 17.805 -8.724 1.00 0.00 C ATOM 600 C GLU A 44 7.725 18.025 -10.015 1.00 0.00 C ATOM 601 O GLU A 44 8.151 18.782 -10.886 1.00 0.00 O ATOM 602 CB GLU A 44 7.732 18.302 -7.508 1.00 0.00 C ATOM 603 CG GLU A 44 8.179 17.579 -6.235 1.00 0.00 C ATOM 604 CD GLU A 44 8.848 18.549 -5.259 1.00 0.00 C ATOM 605 OE1 GLU A 44 9.654 19.374 -5.743 1.00 0.00 O ATOM 606 OE2 GLU A 44 8.537 18.446 -4.052 1.00 0.00 O ATOM 0 H GLU A 44 10.030 19.080 -8.032 1.00 0.00 H new ATOM 0 HA GLU A 44 8.677 16.734 -8.598 1.00 0.00 H new ATOM 0 HB2 GLU A 44 7.878 19.376 -7.391 1.00 0.00 H new ATOM 0 HB3 GLU A 44 6.666 18.140 -7.667 1.00 0.00 H new ATOM 0 HG2 GLU A 44 7.318 17.112 -5.756 1.00 0.00 H new ATOM 0 HG3 GLU A 44 8.874 16.779 -6.492 1.00 0.00 H new ATOM 611 N GLU A 45 6.588 17.352 -10.095 1.00 0.00 N ATOM 612 CA GLU A 45 5.733 17.464 -11.266 1.00 0.00 C ATOM 613 C GLU A 45 4.261 17.446 -10.851 1.00 0.00 C ATOM 614 O GLU A 45 3.866 16.667 -9.984 1.00 0.00 O ATOM 615 CB GLU A 45 6.034 16.354 -12.273 1.00 0.00 C ATOM 616 CG GLU A 45 5.653 14.984 -11.710 1.00 0.00 C ATOM 617 CD GLU A 45 5.961 13.872 -12.714 1.00 0.00 C ATOM 618 OE1 GLU A 45 5.236 13.809 -13.730 1.00 0.00 O ATOM 619 OE2 GLU A 45 6.914 13.110 -12.443 1.00 0.00 O ATOM 0 H GLU A 45 6.238 16.727 -9.369 1.00 0.00 H new ATOM 0 HA GLU A 45 5.940 18.416 -11.754 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.484 16.537 -13.196 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.094 16.365 -12.526 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.198 14.803 -10.784 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.592 14.971 -11.463 1.00 0.00 H new ATOM 624 N ASN A 46 3.487 18.312 -11.488 1.00 0.00 N ATOM 625 CA ASN A 46 2.067 18.404 -11.197 1.00 0.00 C ATOM 626 C ASN A 46 1.430 17.021 -11.344 1.00 0.00 C ATOM 627 O ASN A 46 1.722 16.298 -12.294 1.00 0.00 O ATOM 628 CB ASN A 46 1.366 19.354 -12.169 1.00 0.00 C ATOM 629 CG ASN A 46 1.016 20.679 -11.487 1.00 0.00 C ATOM 630 OD1 ASN A 46 1.874 21.488 -11.171 1.00 0.00 O ATOM 631 ND2 ASN A 46 -0.285 20.854 -11.279 1.00 0.00 N ATOM 0 H ASN A 46 3.817 18.957 -12.206 1.00 0.00 H new ATOM 0 HA ASN A 46 1.955 18.782 -10.181 1.00 0.00 H new ATOM 0 HB2 ASN A 46 2.011 19.542 -13.027 1.00 0.00 H new ATOM 0 HB3 ASN A 46 0.458 18.886 -12.549 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -0.620 21.706 -10.830 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -0.949 20.136 -11.569 1.00 0.00 H new ATOM 637 N GLY A 47 0.571 16.697 -10.389 1.00 0.00 N ATOM 638 CA GLY A 47 -0.111 15.414 -10.401 1.00 0.00 C ATOM 639 C GLY A 47 -1.630 15.597 -10.371 1.00 0.00 C ATOM 640 O GLY A 47 -2.317 15.283 -11.342 1.00 0.00 O ATOM 0 H GLY A 47 0.332 17.300 -9.602 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.174 14.856 -11.293 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.204 14.823 -9.541 1.00 0.00 H new ATOM 644 N ASN A 48 -2.110 16.109 -9.246 1.00 0.00 N ATOM 645 CA ASN A 48 -3.533 16.340 -9.077 1.00 0.00 C ATOM 646 C ASN A 48 -4.028 17.279 -10.178 1.00 0.00 C ATOM 647 O ASN A 48 -3.243 18.023 -10.764 1.00 0.00 O ATOM 648 CB ASN A 48 -3.829 16.997 -7.727 1.00 0.00 C ATOM 649 CG ASN A 48 -4.400 15.981 -6.736 1.00 0.00 C ATOM 650 OD1 ASN A 48 -5.299 15.215 -7.041 1.00 0.00 O ATOM 651 ND2 ASN A 48 -3.830 16.017 -5.536 1.00 0.00 N ATOM 0 H ASN A 48 -1.537 16.370 -8.443 1.00 0.00 H new ATOM 0 HA ASN A 48 -4.038 15.376 -9.127 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -2.915 17.431 -7.322 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.537 17.814 -7.864 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -4.141 15.378 -4.804 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.082 16.684 -5.347 1.00 0.00 H new ATOM 657 N ARG A 49 -5.328 17.217 -10.427 1.00 0.00 N ATOM 658 CA ARG A 49 -5.937 18.054 -11.447 1.00 0.00 C ATOM 659 C ARG A 49 -5.315 17.759 -12.814 1.00 0.00 C ATOM 660 O ARG A 49 -4.259 17.135 -12.898 1.00 0.00 O ATOM 661 CB ARG A 49 -5.757 19.538 -11.121 1.00 0.00 C ATOM 662 CG ARG A 49 -7.097 20.188 -10.772 1.00 0.00 C ATOM 663 CD ARG A 49 -7.083 21.683 -11.100 1.00 0.00 C ATOM 664 NE ARG A 49 -8.344 22.064 -11.776 1.00 0.00 N ATOM 665 CZ ARG A 49 -8.639 21.755 -13.047 1.00 0.00 C ATOM 666 NH1 ARG A 49 -7.766 21.058 -13.786 1.00 0.00 N ATOM 667 NH2 ARG A 49 -9.807 22.142 -13.575 1.00 0.00 N ATOM 0 H ARG A 49 -5.977 16.599 -9.939 1.00 0.00 H new ATOM 0 HA ARG A 49 -7.003 17.827 -11.472 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.066 19.649 -10.285 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -5.311 20.050 -11.974 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -7.898 19.698 -11.325 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -7.309 20.046 -9.712 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -6.961 22.263 -10.185 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -6.232 21.915 -11.741 1.00 0.00 H new ATOM 0 HE ARG A 49 -9.031 22.595 -11.241 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -6.877 20.763 -13.382 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -7.990 20.823 -14.753 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -10.471 22.671 -13.010 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -10.032 21.907 -14.542 1.00 0.00 H new ATOM 678 N GLY A 50 -5.997 18.224 -13.850 1.00 0.00 N ATOM 679 CA GLY A 50 -5.525 18.020 -15.210 1.00 0.00 C ATOM 680 C GLY A 50 -6.633 18.307 -16.224 1.00 0.00 C ATOM 681 O GLY A 50 -6.661 19.376 -16.833 1.00 0.00 O ATOM 0 H GLY A 50 -6.873 18.741 -13.776 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -4.672 18.671 -15.404 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.176 16.994 -15.328 1.00 0.00 H new ATOM 685 N GLY A 51 -7.522 17.336 -16.375 1.00 0.00 N ATOM 686 CA GLY A 51 -8.630 17.473 -17.304 1.00 0.00 C ATOM 687 C GLY A 51 -9.483 16.202 -17.330 1.00 0.00 C ATOM 688 O GLY A 51 -9.013 15.144 -17.747 1.00 0.00 O ATOM 0 H GLY A 51 -7.497 16.451 -15.869 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.247 18.324 -17.017 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.248 17.680 -18.304 1.00 0.00 H new ATOM 692 N LYS A 52 -10.720 16.350 -16.880 1.00 0.00 N ATOM 693 CA LYS A 52 -11.643 15.228 -16.848 1.00 0.00 C ATOM 694 C LYS A 52 -12.251 15.032 -18.237 1.00 0.00 C ATOM 695 O LYS A 52 -13.455 15.202 -18.421 1.00 0.00 O ATOM 696 CB LYS A 52 -12.683 15.422 -15.742 1.00 0.00 C ATOM 697 CG LYS A 52 -13.607 16.601 -16.061 1.00 0.00 C ATOM 698 CD LYS A 52 -13.719 17.547 -14.864 1.00 0.00 C ATOM 699 CE LYS A 52 -14.839 18.568 -15.077 1.00 0.00 C ATOM 700 NZ LYS A 52 -14.724 19.674 -14.100 1.00 0.00 N ATOM 0 H LYS A 52 -11.105 17.229 -16.535 1.00 0.00 H new ATOM 0 HA LYS A 52 -11.115 14.307 -16.600 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -13.273 14.513 -15.629 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -12.180 15.596 -14.791 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -13.224 17.145 -16.925 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -14.596 16.230 -16.330 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -13.913 16.972 -13.958 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -12.772 18.066 -14.716 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -14.790 18.964 -16.091 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -15.808 18.081 -14.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -15.491 20.358 -14.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -14.793 19.293 -13.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -13.807 20.149 -14.220 1.00 0.00 H new ATOM 710 N GLN A 53 -11.391 14.676 -19.181 1.00 0.00 N ATOM 711 CA GLN A 53 -11.829 14.456 -20.548 1.00 0.00 C ATOM 712 C GLN A 53 -11.438 13.050 -21.010 1.00 0.00 C ATOM 713 O GLN A 53 -12.300 12.248 -21.365 1.00 0.00 O ATOM 714 CB GLN A 53 -11.255 15.519 -21.486 1.00 0.00 C ATOM 715 CG GLN A 53 -12.360 16.161 -22.328 1.00 0.00 C ATOM 716 CD GLN A 53 -11.985 17.589 -22.727 1.00 0.00 C ATOM 717 OE1 GLN A 53 -11.490 18.374 -21.936 1.00 0.00 O ATOM 718 NE2 GLN A 53 -12.249 17.883 -23.998 1.00 0.00 N ATOM 0 H GLN A 53 -10.393 14.535 -19.025 1.00 0.00 H new ATOM 0 HA GLN A 53 -12.915 14.540 -20.579 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -10.745 16.286 -20.903 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -10.510 15.067 -22.141 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -12.534 15.563 -23.223 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -13.293 16.170 -21.764 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -12.664 17.179 -24.609 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -12.036 18.812 -24.361 1.00 0.00 H new ATOM 725 N ARG A 54 -10.138 12.796 -20.991 1.00 0.00 N ATOM 726 CA ARG A 54 -9.622 11.501 -21.403 1.00 0.00 C ATOM 727 C ARG A 54 -9.262 10.658 -20.177 1.00 0.00 C ATOM 728 O ARG A 54 -9.835 9.591 -19.963 1.00 0.00 O ATOM 729 CB ARG A 54 -8.384 11.658 -22.289 1.00 0.00 C ATOM 730 CG ARG A 54 -8.244 10.474 -23.248 1.00 0.00 C ATOM 731 CD ARG A 54 -8.006 10.953 -24.680 1.00 0.00 C ATOM 732 NE ARG A 54 -6.579 10.801 -25.036 1.00 0.00 N ATOM 733 CZ ARG A 54 -5.995 11.409 -26.078 1.00 0.00 C ATOM 734 NH1 ARG A 54 -6.713 12.213 -26.873 1.00 0.00 N ATOM 735 NH2 ARG A 54 -4.692 11.212 -26.324 1.00 0.00 N ATOM 0 H ARG A 54 -9.426 13.465 -20.697 1.00 0.00 H new ATOM 0 HA ARG A 54 -10.402 11.000 -21.975 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -8.454 12.585 -22.858 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -7.493 11.733 -21.666 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -7.416 9.840 -22.930 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -9.146 9.863 -23.211 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -8.624 10.380 -25.371 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -8.304 11.997 -24.777 1.00 0.00 H new ATOM 0 HE ARG A 54 -6.003 10.195 -24.452 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -7.704 12.363 -26.685 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -6.268 12.676 -27.666 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -4.146 10.600 -25.718 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -4.247 11.674 -27.117 1.00 0.00 H new ATOM 746 N ASN A 55 -8.314 11.169 -19.407 1.00 0.00 N ATOM 747 CA ASN A 55 -7.870 10.478 -18.209 1.00 0.00 C ATOM 748 C ASN A 55 -7.122 9.203 -18.608 1.00 0.00 C ATOM 749 O ASN A 55 -7.720 8.269 -19.141 1.00 0.00 O ATOM 750 CB ASN A 55 -9.059 10.072 -17.333 1.00 0.00 C ATOM 751 CG ASN A 55 -8.667 10.049 -15.855 1.00 0.00 C ATOM 752 OD1 ASN A 55 -7.778 10.757 -15.409 1.00 0.00 O ATOM 753 ND2 ASN A 55 -9.377 9.197 -15.121 1.00 0.00 N ATOM 0 H ASN A 55 -7.841 12.054 -19.589 1.00 0.00 H new ATOM 0 HA ASN A 55 -7.224 11.155 -17.650 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.882 10.771 -17.484 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -9.417 9.087 -17.633 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -9.191 9.107 -14.122 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -10.107 8.634 -15.557 1.00 0.00 H new ATOM 759 N ARG A 56 -5.825 9.207 -18.336 1.00 0.00 N ATOM 760 CA ARG A 56 -4.990 8.062 -18.661 1.00 0.00 C ATOM 761 C ARG A 56 -5.439 6.835 -17.868 1.00 0.00 C ATOM 762 O ARG A 56 -5.856 6.955 -16.716 1.00 0.00 O ATOM 763 CB ARG A 56 -3.519 8.350 -18.353 1.00 0.00 C ATOM 764 CG ARG A 56 -2.642 8.100 -19.581 1.00 0.00 C ATOM 765 CD ARG A 56 -2.903 6.711 -20.167 1.00 0.00 C ATOM 766 NE ARG A 56 -1.819 6.346 -21.105 1.00 0.00 N ATOM 767 CZ ARG A 56 -1.875 5.305 -21.948 1.00 0.00 C ATOM 768 NH1 ARG A 56 -2.961 4.522 -21.976 1.00 0.00 N ATOM 769 NH2 ARG A 56 -0.842 5.048 -22.765 1.00 0.00 N ATOM 0 H ARG A 56 -5.332 9.984 -17.895 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.095 7.866 -19.728 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.408 9.384 -18.027 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.186 7.719 -17.529 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.842 8.861 -20.336 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -1.591 8.191 -19.307 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.965 5.975 -19.366 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.862 6.700 -20.685 1.00 0.00 H new ATOM 0 HE ARG A 56 -0.977 6.922 -21.111 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.747 4.717 -21.356 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.003 3.730 -22.618 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -0.015 5.644 -22.744 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -0.884 4.256 -23.407 1.00 0.00 H new ATOM 780 N LEU A 57 -5.340 5.682 -18.514 1.00 0.00 N ATOM 781 CA LEU A 57 -5.730 4.434 -17.883 1.00 0.00 C ATOM 782 C LEU A 57 -4.604 3.957 -16.964 1.00 0.00 C ATOM 783 O LEU A 57 -3.782 3.133 -17.362 1.00 0.00 O ATOM 784 CB LEU A 57 -6.141 3.406 -18.938 1.00 0.00 C ATOM 785 CG LEU A 57 -7.639 3.315 -19.240 1.00 0.00 C ATOM 786 CD1 LEU A 57 -8.398 2.694 -18.065 1.00 0.00 C ATOM 787 CD2 LEU A 57 -8.203 4.682 -19.630 1.00 0.00 C ATOM 0 H LEU A 57 -4.995 5.587 -19.469 1.00 0.00 H new ATOM 0 HA LEU A 57 -6.610 4.583 -17.257 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.617 3.638 -19.865 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.796 2.424 -18.614 1.00 0.00 H new ATOM 0 HG LEU A 57 -7.776 2.655 -20.096 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -9.460 2.641 -18.305 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -8.018 1.690 -17.876 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -8.257 3.308 -17.176 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -9.269 4.590 -19.839 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -8.054 5.385 -18.810 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -7.689 5.048 -20.519 1.00 0.00 H new ATOM 798 N GLU A 58 -4.602 4.495 -15.754 1.00 0.00 N ATOM 799 CA GLU A 58 -3.589 4.135 -14.776 1.00 0.00 C ATOM 800 C GLU A 58 -3.816 2.705 -14.279 1.00 0.00 C ATOM 801 O GLU A 58 -4.929 2.186 -14.358 1.00 0.00 O ATOM 802 CB GLU A 58 -3.576 5.125 -13.610 1.00 0.00 C ATOM 803 CG GLU A 58 -3.488 6.566 -14.116 1.00 0.00 C ATOM 804 CD GLU A 58 -3.590 7.561 -12.958 1.00 0.00 C ATOM 805 OE1 GLU A 58 -4.568 7.439 -12.189 1.00 0.00 O ATOM 806 OE2 GLU A 58 -2.686 8.420 -12.867 1.00 0.00 O ATOM 0 H GLU A 58 -5.286 5.178 -15.428 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.613 4.181 -15.259 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -4.479 5.000 -13.012 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.729 4.913 -12.957 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -2.546 6.713 -14.644 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -4.288 6.753 -14.832 1.00 0.00 H new ATOM 811 N PRO A 59 -2.716 2.094 -13.764 1.00 0.00 N ATOM 812 CA PRO A 59 -2.786 0.736 -13.254 1.00 0.00 C ATOM 813 C PRO A 59 -3.486 0.695 -11.896 1.00 0.00 C ATOM 814 O PRO A 59 -4.686 0.433 -11.819 1.00 0.00 O ATOM 815 CB PRO A 59 -1.341 0.266 -13.192 1.00 0.00 C ATOM 816 CG PRO A 59 -0.490 1.525 -13.226 1.00 0.00 C ATOM 817 CD PRO A 59 -1.383 2.679 -13.654 1.00 0.00 C ATOM 0 HA PRO A 59 -3.379 0.078 -13.889 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -1.155 -0.306 -12.283 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -1.106 -0.387 -14.033 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -0.058 1.720 -12.245 1.00 0.00 H new ATOM 0 HG3 PRO A 59 0.340 1.406 -13.922 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -1.364 3.487 -12.923 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -1.056 3.102 -14.604 1.00 0.00 H new ATOM 822 N MET A 60 -2.707 0.957 -10.856 1.00 0.00 N ATOM 823 CA MET A 60 -3.239 0.952 -9.504 1.00 0.00 C ATOM 824 C MET A 60 -4.133 -0.267 -9.268 1.00 0.00 C ATOM 825 O MET A 60 -5.358 -0.150 -9.257 1.00 0.00 O ATOM 826 CB MET A 60 -4.046 2.231 -9.268 1.00 0.00 C ATOM 827 CG MET A 60 -3.132 3.456 -9.215 1.00 0.00 C ATOM 828 SD MET A 60 -4.065 4.932 -9.584 1.00 0.00 S ATOM 829 CE MET A 60 -2.920 6.174 -9.008 1.00 0.00 C ATOM 0 H MET A 60 -1.713 1.174 -10.923 1.00 0.00 H new ATOM 0 HA MET A 60 -2.403 0.905 -8.806 1.00 0.00 H new ATOM 0 HB2 MET A 60 -4.779 2.355 -10.065 1.00 0.00 H new ATOM 0 HB3 MET A 60 -4.602 2.147 -8.334 1.00 0.00 H new ATOM 0 HG2 MET A 60 -2.680 3.540 -8.227 1.00 0.00 H new ATOM 0 HG3 MET A 60 -2.317 3.343 -9.930 1.00 0.00 H new ATOM 0 HE1 MET A 60 -3.427 6.841 -8.310 1.00 0.00 H new ATOM 0 HE2 MET A 60 -2.082 5.691 -8.505 1.00 0.00 H new ATOM 0 HE3 MET A 60 -2.551 6.750 -9.857 1.00 0.00 H new ATOM 837 N ASP A 61 -3.486 -1.408 -9.088 1.00 0.00 N ATOM 838 CA ASP A 61 -4.207 -2.649 -8.854 1.00 0.00 C ATOM 839 C ASP A 61 -4.319 -2.893 -7.348 1.00 0.00 C ATOM 840 O ASP A 61 -5.416 -2.881 -6.793 1.00 0.00 O ATOM 841 CB ASP A 61 -3.470 -3.838 -9.473 1.00 0.00 C ATOM 842 CG ASP A 61 -4.371 -4.980 -9.948 1.00 0.00 C ATOM 843 OD1 ASP A 61 -5.495 -4.667 -10.394 1.00 0.00 O ATOM 844 OD2 ASP A 61 -3.915 -6.139 -9.852 1.00 0.00 O ATOM 0 H ASP A 61 -2.470 -1.500 -9.099 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.193 -2.558 -9.311 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.883 -3.482 -10.320 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -2.766 -4.231 -8.740 1.00 0.00 H new ATOM 848 N THR A 62 -3.167 -3.106 -6.728 1.00 0.00 N ATOM 849 CA THR A 62 -3.122 -3.352 -5.297 1.00 0.00 C ATOM 850 C THR A 62 -1.812 -2.827 -4.707 1.00 0.00 C ATOM 851 O THR A 62 -0.916 -2.417 -5.443 1.00 0.00 O ATOM 852 CB THR A 62 -3.335 -4.850 -5.068 1.00 0.00 C ATOM 853 OG1 THR A 62 -4.607 -5.113 -5.655 1.00 0.00 O ATOM 854 CG2 THR A 62 -3.528 -5.194 -3.589 1.00 0.00 C ATOM 0 H THR A 62 -2.258 -3.113 -7.191 1.00 0.00 H new ATOM 0 HA THR A 62 -3.915 -2.813 -4.778 1.00 0.00 H new ATOM 0 HB THR A 62 -2.482 -5.403 -5.461 1.00 0.00 H new ATOM 0 HG1 THR A 62 -5.100 -4.272 -5.757 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.675 -6.269 -3.482 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.645 -4.891 -3.027 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.402 -4.668 -3.204 1.00 0.00 H new ATOM 862 N ILE A 63 -1.742 -2.859 -3.384 1.00 0.00 N ATOM 863 CA ILE A 63 -0.556 -2.391 -2.686 1.00 0.00 C ATOM 864 C ILE A 63 0.489 -3.509 -2.658 1.00 0.00 C ATOM 865 O ILE A 63 1.618 -3.321 -3.107 1.00 0.00 O ATOM 866 CB ILE A 63 -0.923 -1.859 -1.300 1.00 0.00 C ATOM 867 CG1 ILE A 63 -1.422 -0.414 -1.382 1.00 0.00 C ATOM 868 CG2 ILE A 63 0.247 -2.007 -0.326 1.00 0.00 C ATOM 869 CD1 ILE A 63 -2.877 -0.310 -0.920 1.00 0.00 C ATOM 0 H ILE A 63 -2.487 -3.202 -2.777 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.110 -1.550 -3.217 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.743 -2.462 -0.910 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.794 0.227 -0.764 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.335 -0.053 -2.407 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.042 -1.621 0.651 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.514 -3.060 -0.236 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.104 -1.446 -0.699 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.207 0.727 -0.988 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.506 -0.934 -1.555 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -2.956 -0.649 0.113 1.00 0.00 H new ATOM 880 N PHE A 64 0.073 -4.650 -2.126 1.00 0.00 N ATOM 881 CA PHE A 64 0.958 -5.798 -2.033 1.00 0.00 C ATOM 882 C PHE A 64 2.179 -5.482 -1.167 1.00 0.00 C ATOM 883 O PHE A 64 2.795 -4.428 -1.317 1.00 0.00 O ATOM 884 CB PHE A 64 1.426 -6.118 -3.455 1.00 0.00 C ATOM 885 CG PHE A 64 0.825 -7.400 -4.034 1.00 0.00 C ATOM 886 CD1 PHE A 64 -0.393 -7.369 -4.638 1.00 0.00 C ATOM 887 CD2 PHE A 64 1.509 -8.572 -3.945 1.00 0.00 C ATOM 888 CE1 PHE A 64 -0.951 -8.559 -5.177 1.00 0.00 C ATOM 889 CE2 PHE A 64 0.952 -9.763 -4.483 1.00 0.00 C ATOM 890 CZ PHE A 64 -0.266 -9.730 -5.087 1.00 0.00 C ATOM 0 H PHE A 64 -0.865 -4.803 -1.755 1.00 0.00 H new ATOM 0 HA PHE A 64 0.431 -6.637 -1.578 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.171 -5.283 -4.107 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.513 -6.205 -3.458 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.937 -6.439 -4.708 1.00 0.00 H new ATOM 0 HD2 PHE A 64 2.476 -8.597 -3.465 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.918 -8.534 -5.658 1.00 0.00 H new ATOM 0 HE2 PHE A 64 1.495 -10.694 -4.412 1.00 0.00 H new ATOM 0 HZ PHE A 64 -0.690 -10.635 -5.496 1.00 0.00 H new ATOM 899 N VAL A 65 2.490 -6.414 -0.278 1.00 0.00 N ATOM 900 CA VAL A 65 3.625 -6.248 0.614 1.00 0.00 C ATOM 901 C VAL A 65 4.910 -6.621 -0.129 1.00 0.00 C ATOM 902 O VAL A 65 4.861 -7.277 -1.169 1.00 0.00 O ATOM 903 CB VAL A 65 3.413 -7.066 1.889 1.00 0.00 C ATOM 904 CG1 VAL A 65 4.712 -7.183 2.687 1.00 0.00 C ATOM 905 CG2 VAL A 65 2.297 -6.464 2.745 1.00 0.00 C ATOM 0 H VAL A 65 1.976 -7.286 -0.156 1.00 0.00 H new ATOM 0 HA VAL A 65 3.718 -5.207 0.924 1.00 0.00 H new ATOM 0 HB VAL A 65 3.108 -8.071 1.597 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.534 -7.769 3.588 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.470 -7.675 2.078 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.060 -6.188 2.964 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.166 -7.064 3.646 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.562 -5.444 3.024 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.367 -6.455 2.176 1.00 0.00 H new ATOM 915 N LYS A 66 6.028 -6.189 0.433 1.00 0.00 N ATOM 916 CA LYS A 66 7.323 -6.471 -0.163 1.00 0.00 C ATOM 917 C LYS A 66 8.108 -7.412 0.754 1.00 0.00 C ATOM 918 O LYS A 66 8.438 -8.531 0.364 1.00 0.00 O ATOM 919 CB LYS A 66 8.061 -5.169 -0.481 1.00 0.00 C ATOM 920 CG LYS A 66 9.416 -5.450 -1.135 1.00 0.00 C ATOM 921 CD LYS A 66 10.522 -4.622 -0.480 1.00 0.00 C ATOM 922 CE LYS A 66 11.897 -5.243 -0.739 1.00 0.00 C ATOM 923 NZ LYS A 66 12.564 -4.569 -1.875 1.00 0.00 N ATOM 0 H LYS A 66 6.065 -5.645 1.295 1.00 0.00 H new ATOM 0 HA LYS A 66 7.199 -6.983 -1.117 1.00 0.00 H new ATOM 0 HB2 LYS A 66 7.453 -4.556 -1.146 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.207 -4.597 0.435 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.652 -6.511 -1.050 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.365 -5.219 -2.199 1.00 0.00 H new ATOM 0 HD2 LYS A 66 10.499 -3.604 -0.870 1.00 0.00 H new ATOM 0 HD3 LYS A 66 10.345 -4.556 0.593 1.00 0.00 H new ATOM 0 HE2 LYS A 66 12.515 -5.159 0.155 1.00 0.00 H new ATOM 0 HE3 LYS A 66 11.788 -6.306 -0.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 13.495 -5.002 -2.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 11.981 -4.671 -2.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 12.685 -3.559 -1.657 1.00 0.00 H new ATOM 933 N GLN A 67 8.383 -6.924 1.956 1.00 0.00 N ATOM 934 CA GLN A 67 9.123 -7.707 2.930 1.00 0.00 C ATOM 935 C GLN A 67 8.554 -7.483 4.332 1.00 0.00 C ATOM 936 O GLN A 67 7.717 -6.605 4.534 1.00 0.00 O ATOM 937 CB GLN A 67 10.616 -7.373 2.884 1.00 0.00 C ATOM 938 CG GLN A 67 11.348 -8.280 1.892 1.00 0.00 C ATOM 939 CD GLN A 67 12.651 -8.812 2.496 1.00 0.00 C ATOM 940 OE1 GLN A 67 12.678 -9.811 3.196 1.00 0.00 O ATOM 941 NE2 GLN A 67 13.724 -8.089 2.189 1.00 0.00 N ATOM 0 H GLN A 67 8.106 -5.996 2.276 1.00 0.00 H new ATOM 0 HA GLN A 67 9.013 -8.762 2.678 1.00 0.00 H new ATOM 0 HB2 GLN A 67 10.751 -6.330 2.597 1.00 0.00 H new ATOM 0 HB3 GLN A 67 11.050 -7.489 3.877 1.00 0.00 H new ATOM 0 HG2 GLN A 67 10.705 -9.114 1.613 1.00 0.00 H new ATOM 0 HG3 GLN A 67 11.565 -7.726 0.979 1.00 0.00 H new ATOM 0 HE21 GLN A 67 13.630 -7.263 1.597 1.00 0.00 H new ATOM 0 HE22 GLN A 67 14.641 -8.360 2.545 1.00 0.00 H new ATOM 948 N VAL A 68 9.032 -8.292 5.267 1.00 0.00 N ATOM 949 CA VAL A 68 8.581 -8.193 6.645 1.00 0.00 C ATOM 950 C VAL A 68 9.787 -8.302 7.580 1.00 0.00 C ATOM 951 O VAL A 68 10.404 -9.362 7.682 1.00 0.00 O ATOM 952 CB VAL A 68 7.511 -9.250 6.923 1.00 0.00 C ATOM 953 CG1 VAL A 68 7.237 -9.371 8.423 1.00 0.00 C ATOM 954 CG2 VAL A 68 6.224 -8.944 6.154 1.00 0.00 C ATOM 0 H VAL A 68 9.727 -9.019 5.097 1.00 0.00 H new ATOM 0 HA VAL A 68 8.115 -7.224 6.826 1.00 0.00 H new ATOM 0 HB VAL A 68 7.890 -10.210 6.573 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.473 -10.129 8.593 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.154 -9.658 8.938 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.889 -8.412 8.808 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.480 -9.711 6.370 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.840 -7.970 6.459 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.433 -8.932 5.084 1.00 0.00 H new ATOM 964 N LYS A 69 10.087 -7.193 8.240 1.00 0.00 N ATOM 965 CA LYS A 69 11.208 -7.152 9.163 1.00 0.00 C ATOM 966 C LYS A 69 11.182 -8.400 10.047 1.00 0.00 C ATOM 967 O LYS A 69 10.150 -9.058 10.167 1.00 0.00 O ATOM 968 CB LYS A 69 11.205 -5.840 9.951 1.00 0.00 C ATOM 969 CG LYS A 69 12.632 -5.386 10.267 1.00 0.00 C ATOM 970 CD LYS A 69 12.659 -3.918 10.693 1.00 0.00 C ATOM 971 CE LYS A 69 14.095 -3.416 10.843 1.00 0.00 C ATOM 972 NZ LYS A 69 14.661 -3.058 9.523 1.00 0.00 N ATOM 0 H LYS A 69 9.573 -6.316 8.154 1.00 0.00 H new ATOM 0 HA LYS A 69 12.151 -7.168 8.617 1.00 0.00 H new ATOM 0 HB2 LYS A 69 10.693 -5.068 9.377 1.00 0.00 H new ATOM 0 HB3 LYS A 69 10.647 -5.970 10.878 1.00 0.00 H new ATOM 0 HG2 LYS A 69 13.047 -6.006 11.061 1.00 0.00 H new ATOM 0 HG3 LYS A 69 13.264 -5.525 9.390 1.00 0.00 H new ATOM 0 HD2 LYS A 69 12.134 -3.312 9.955 1.00 0.00 H new ATOM 0 HD3 LYS A 69 12.129 -3.800 11.638 1.00 0.00 H new ATOM 0 HE2 LYS A 69 14.116 -2.548 11.501 1.00 0.00 H new ATOM 0 HE3 LYS A 69 14.708 -4.186 11.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 15.637 -2.719 9.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 14.659 -3.895 8.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 14.085 -2.308 9.090 1.00 0.00 H new ATOM 982 N GLU A 70 12.330 -8.686 10.644 1.00 0.00 N ATOM 983 CA GLU A 70 12.450 -9.845 11.514 1.00 0.00 C ATOM 984 C GLU A 70 12.553 -9.403 12.974 1.00 0.00 C ATOM 985 O GLU A 70 13.648 -9.163 13.481 1.00 0.00 O ATOM 986 CB GLU A 70 13.652 -10.705 11.117 1.00 0.00 C ATOM 987 CG GLU A 70 13.281 -12.189 11.096 1.00 0.00 C ATOM 988 CD GLU A 70 14.421 -13.048 11.646 1.00 0.00 C ATOM 989 OE1 GLU A 70 15.559 -12.853 11.167 1.00 0.00 O ATOM 990 OE2 GLU A 70 14.129 -13.879 12.533 1.00 0.00 O ATOM 0 H GLU A 70 13.184 -8.137 10.543 1.00 0.00 H new ATOM 0 HA GLU A 70 11.554 -10.455 11.401 1.00 0.00 H new ATOM 0 HB2 GLU A 70 14.011 -10.402 10.133 1.00 0.00 H new ATOM 0 HB3 GLU A 70 14.469 -10.541 11.819 1.00 0.00 H new ATOM 0 HG2 GLU A 70 12.381 -12.351 11.689 1.00 0.00 H new ATOM 0 HG3 GLU A 70 13.050 -12.495 10.076 1.00 0.00 H new ATOM 995 N GLY A 71 11.395 -9.308 13.613 1.00 0.00 N ATOM 996 CA GLY A 71 11.339 -8.899 15.006 1.00 0.00 C ATOM 997 C GLY A 71 10.685 -7.523 15.148 1.00 0.00 C ATOM 998 O GLY A 71 10.990 -6.781 16.080 1.00 0.00 O ATOM 0 H GLY A 71 10.488 -9.508 13.191 1.00 0.00 H new ATOM 0 HA2 GLY A 71 10.777 -9.634 15.582 1.00 0.00 H new ATOM 0 HA3 GLY A 71 12.346 -8.871 15.421 1.00 0.00 H new ATOM 1002 N GLY A 72 9.801 -7.223 14.209 1.00 0.00 N ATOM 1003 CA GLY A 72 9.102 -5.950 14.217 1.00 0.00 C ATOM 1004 C GLY A 72 7.625 -6.137 14.569 1.00 0.00 C ATOM 1005 O GLY A 72 7.241 -7.166 15.125 1.00 0.00 O ATOM 0 H GLY A 72 9.552 -7.841 13.436 1.00 0.00 H new ATOM 0 HA2 GLY A 72 9.569 -5.279 14.938 1.00 0.00 H new ATOM 0 HA3 GLY A 72 9.189 -5.477 13.239 1.00 0.00 H new ATOM 1009 N PRO A 73 6.815 -5.101 14.223 1.00 0.00 N ATOM 1010 CA PRO A 73 5.388 -5.142 14.497 1.00 0.00 C ATOM 1011 C PRO A 73 4.670 -6.074 13.521 1.00 0.00 C ATOM 1012 O PRO A 73 4.091 -7.080 13.929 1.00 0.00 O ATOM 1013 CB PRO A 73 4.927 -3.697 14.388 1.00 0.00 C ATOM 1014 CG PRO A 73 6.009 -2.971 13.607 1.00 0.00 C ATOM 1015 CD PRO A 73 7.235 -3.867 13.565 1.00 0.00 C ATOM 0 HA PRO A 73 5.159 -5.547 15.483 1.00 0.00 H new ATOM 0 HB2 PRO A 73 3.966 -3.631 13.877 1.00 0.00 H new ATOM 0 HB3 PRO A 73 4.794 -3.254 15.375 1.00 0.00 H new ATOM 0 HG2 PRO A 73 5.665 -2.747 12.597 1.00 0.00 H new ATOM 0 HG3 PRO A 73 6.248 -2.019 14.081 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.554 -4.054 12.540 1.00 0.00 H new ATOM 0 HD3 PRO A 73 8.078 -3.409 14.083 1.00 0.00 H new ATOM 1020 N ALA A 74 4.730 -5.707 12.249 1.00 0.00 N ATOM 1021 CA ALA A 74 4.092 -6.499 11.211 1.00 0.00 C ATOM 1022 C ALA A 74 4.410 -7.978 11.436 1.00 0.00 C ATOM 1023 O ALA A 74 3.505 -8.809 11.502 1.00 0.00 O ATOM 1024 CB ALA A 74 4.550 -6.006 9.838 1.00 0.00 C ATOM 0 H ALA A 74 5.210 -4.872 11.914 1.00 0.00 H new ATOM 0 HA ALA A 74 3.009 -6.385 11.253 1.00 0.00 H new ATOM 0 HB1 ALA A 74 4.071 -6.600 9.060 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.273 -4.959 9.717 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.632 -6.107 9.758 1.00 0.00 H new ATOM 1030 N PHE A 75 5.699 -8.263 11.544 1.00 0.00 N ATOM 1031 CA PHE A 75 6.150 -9.628 11.760 1.00 0.00 C ATOM 1032 C PHE A 75 5.298 -10.324 12.825 1.00 0.00 C ATOM 1033 O PHE A 75 4.893 -11.472 12.648 1.00 0.00 O ATOM 1034 CB PHE A 75 7.596 -9.551 12.251 1.00 0.00 C ATOM 1035 CG PHE A 75 8.062 -10.792 13.012 1.00 0.00 C ATOM 1036 CD1 PHE A 75 8.155 -11.989 12.370 1.00 0.00 C ATOM 1037 CD2 PHE A 75 8.386 -10.700 14.331 1.00 0.00 C ATOM 1038 CE1 PHE A 75 8.588 -13.142 13.077 1.00 0.00 C ATOM 1039 CE2 PHE A 75 8.819 -11.854 15.037 1.00 0.00 C ATOM 1040 CZ PHE A 75 8.911 -13.049 14.395 1.00 0.00 C ATOM 0 H PHE A 75 6.447 -7.572 11.486 1.00 0.00 H new ATOM 0 HA PHE A 75 6.066 -10.198 10.835 1.00 0.00 H new ATOM 0 HB2 PHE A 75 8.252 -9.395 11.394 1.00 0.00 H new ATOM 0 HB3 PHE A 75 7.703 -8.680 12.897 1.00 0.00 H new ATOM 0 HD1 PHE A 75 7.900 -12.062 11.323 1.00 0.00 H new ATOM 0 HD2 PHE A 75 8.314 -9.750 14.840 1.00 0.00 H new ATOM 0 HE1 PHE A 75 8.661 -14.092 12.569 1.00 0.00 H new ATOM 0 HE2 PHE A 75 9.075 -11.782 16.084 1.00 0.00 H new ATOM 0 HZ PHE A 75 9.241 -13.926 14.932 1.00 0.00 H new ATOM 1049 N GLU A 76 5.054 -9.600 13.907 1.00 0.00 N ATOM 1050 CA GLU A 76 4.260 -10.133 15.000 1.00 0.00 C ATOM 1051 C GLU A 76 2.788 -10.227 14.591 1.00 0.00 C ATOM 1052 O GLU A 76 2.177 -11.291 14.696 1.00 0.00 O ATOM 1053 CB GLU A 76 4.424 -9.285 16.264 1.00 0.00 C ATOM 1054 CG GLU A 76 5.897 -9.163 16.655 1.00 0.00 C ATOM 1055 CD GLU A 76 6.195 -9.966 17.922 1.00 0.00 C ATOM 1056 OE1 GLU A 76 6.496 -11.170 17.775 1.00 0.00 O ATOM 1057 OE2 GLU A 76 6.116 -9.357 19.011 1.00 0.00 O ATOM 0 H GLU A 76 5.392 -8.648 14.050 1.00 0.00 H new ATOM 0 HA GLU A 76 4.619 -11.137 15.227 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.005 -8.293 16.097 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.863 -9.735 17.083 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.525 -9.519 15.838 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.149 -8.115 16.817 1.00 0.00 H new ATOM 1062 N ALA A 77 2.261 -9.102 14.133 1.00 0.00 N ATOM 1063 CA ALA A 77 0.873 -9.043 13.706 1.00 0.00 C ATOM 1064 C ALA A 77 0.520 -10.329 12.955 1.00 0.00 C ATOM 1065 O ALA A 77 -0.624 -10.777 12.986 1.00 0.00 O ATOM 1066 CB ALA A 77 0.652 -7.792 12.855 1.00 0.00 C ATOM 0 H ALA A 77 2.771 -8.222 14.048 1.00 0.00 H new ATOM 0 HA ALA A 77 0.210 -8.971 14.568 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.389 -7.749 12.535 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.888 -6.905 13.443 1.00 0.00 H new ATOM 0 HB3 ALA A 77 1.299 -7.829 11.979 1.00 0.00 H new ATOM 1072 N GLY A 78 1.528 -10.889 12.298 1.00 0.00 N ATOM 1073 CA GLY A 78 1.339 -12.113 11.541 1.00 0.00 C ATOM 1074 C GLY A 78 1.422 -11.846 10.037 1.00 0.00 C ATOM 1075 O GLY A 78 0.964 -12.658 9.233 1.00 0.00 O ATOM 0 H GLY A 78 2.477 -10.516 12.276 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.097 -12.842 11.827 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.370 -12.549 11.784 1.00 0.00 H new ATOM 1079 N LEU A 79 2.008 -10.707 9.703 1.00 0.00 N ATOM 1080 CA LEU A 79 2.156 -10.323 8.309 1.00 0.00 C ATOM 1081 C LEU A 79 3.206 -11.217 7.646 1.00 0.00 C ATOM 1082 O LEU A 79 3.825 -12.050 8.308 1.00 0.00 O ATOM 1083 CB LEU A 79 2.462 -8.828 8.195 1.00 0.00 C ATOM 1084 CG LEU A 79 1.717 -8.072 7.093 1.00 0.00 C ATOM 1085 CD1 LEU A 79 0.257 -7.833 7.484 1.00 0.00 C ATOM 1086 CD2 LEU A 79 2.436 -6.769 6.738 1.00 0.00 C ATOM 0 H LEU A 79 2.386 -10.037 10.373 1.00 0.00 H new ATOM 0 HA LEU A 79 1.221 -10.476 7.771 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.232 -8.357 9.151 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.533 -8.708 8.030 1.00 0.00 H new ATOM 0 HG LEU A 79 1.714 -8.691 6.196 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.250 -7.294 6.684 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.238 -8.791 7.647 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.217 -7.244 8.400 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.885 -6.252 5.952 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.492 -6.132 7.621 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.443 -6.993 6.387 1.00 0.00 H new ATOM 1097 N CYS A 80 3.374 -11.016 6.348 1.00 0.00 N ATOM 1098 CA CYS A 80 4.337 -11.795 5.588 1.00 0.00 C ATOM 1099 C CYS A 80 4.566 -11.100 4.245 1.00 0.00 C ATOM 1100 O CYS A 80 4.214 -9.932 4.078 1.00 0.00 O ATOM 1101 CB CYS A 80 3.880 -13.244 5.411 1.00 0.00 C ATOM 1102 SG CYS A 80 5.149 -14.387 6.071 1.00 0.00 S ATOM 0 H CYS A 80 2.859 -10.325 5.803 1.00 0.00 H new ATOM 0 HA CYS A 80 5.279 -11.845 6.134 1.00 0.00 H new ATOM 0 HB2 CYS A 80 2.933 -13.401 5.928 1.00 0.00 H new ATOM 0 HB3 CYS A 80 3.705 -13.452 4.355 1.00 0.00 H new ATOM 0 HG CYS A 80 4.749 -15.614 5.918 1.00 0.00 H new ATOM 1107 N THR A 81 5.153 -11.846 3.320 1.00 0.00 N ATOM 1108 CA THR A 81 5.431 -11.315 1.997 1.00 0.00 C ATOM 1109 C THR A 81 4.414 -11.846 0.985 1.00 0.00 C ATOM 1110 O THR A 81 4.135 -13.043 0.949 1.00 0.00 O ATOM 1111 CB THR A 81 6.879 -11.664 1.643 1.00 0.00 C ATOM 1112 OG1 THR A 81 6.941 -13.080 1.790 1.00 0.00 O ATOM 1113 CG2 THR A 81 7.877 -11.137 2.677 1.00 0.00 C ATOM 0 H THR A 81 5.443 -12.814 3.461 1.00 0.00 H new ATOM 0 HA THR A 81 5.328 -10.230 1.976 1.00 0.00 H new ATOM 0 HB THR A 81 7.122 -11.255 0.662 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.085 -13.475 1.521 1.00 0.00 H new ATOM 0 HG21 THR A 81 8.889 -11.411 2.379 1.00 0.00 H new ATOM 0 HG22 THR A 81 7.798 -10.052 2.738 1.00 0.00 H new ATOM 0 HG23 THR A 81 7.655 -11.572 3.651 1.00 0.00 H new ATOM 1121 N GLY A 82 3.889 -10.929 0.185 1.00 0.00 N ATOM 1122 CA GLY A 82 2.908 -11.289 -0.824 1.00 0.00 C ATOM 1123 C GLY A 82 1.501 -10.871 -0.395 1.00 0.00 C ATOM 1124 O GLY A 82 0.622 -10.683 -1.236 1.00 0.00 O ATOM 0 H GLY A 82 4.125 -9.937 0.216 1.00 0.00 H new ATOM 0 HA2 GLY A 82 3.161 -10.810 -1.770 1.00 0.00 H new ATOM 0 HA3 GLY A 82 2.935 -12.365 -0.995 1.00 0.00 H new ATOM 1128 N ASP A 83 1.329 -10.737 0.911 1.00 0.00 N ATOM 1129 CA ASP A 83 0.044 -10.343 1.461 1.00 0.00 C ATOM 1130 C ASP A 83 -0.381 -9.007 0.851 1.00 0.00 C ATOM 1131 O ASP A 83 0.376 -8.037 0.886 1.00 0.00 O ATOM 1132 CB ASP A 83 0.124 -10.167 2.979 1.00 0.00 C ATOM 1133 CG ASP A 83 0.355 -11.458 3.768 1.00 0.00 C ATOM 1134 OD1 ASP A 83 0.174 -12.536 3.161 1.00 0.00 O ATOM 1135 OD2 ASP A 83 0.704 -11.338 4.963 1.00 0.00 O ATOM 0 H ASP A 83 2.059 -10.895 1.605 1.00 0.00 H new ATOM 0 HA ASP A 83 -0.676 -11.127 1.227 1.00 0.00 H new ATOM 0 HB2 ASP A 83 0.931 -9.470 3.207 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -0.802 -9.708 3.326 1.00 0.00 H new ATOM 1139 N ARG A 84 -1.588 -8.996 0.308 1.00 0.00 N ATOM 1140 CA ARG A 84 -2.122 -7.794 -0.309 1.00 0.00 C ATOM 1141 C ARG A 84 -2.953 -7.002 0.703 1.00 0.00 C ATOM 1142 O ARG A 84 -3.661 -7.586 1.522 1.00 0.00 O ATOM 1143 CB ARG A 84 -2.993 -8.134 -1.519 1.00 0.00 C ATOM 1144 CG ARG A 84 -2.348 -9.230 -2.368 1.00 0.00 C ATOM 1145 CD ARG A 84 -3.344 -9.798 -3.382 1.00 0.00 C ATOM 1146 NE ARG A 84 -3.138 -11.256 -3.533 1.00 0.00 N ATOM 1147 CZ ARG A 84 -4.067 -12.101 -4.000 1.00 0.00 C ATOM 1148 NH1 ARG A 84 -5.270 -11.638 -4.366 1.00 0.00 N ATOM 1149 NH2 ARG A 84 -3.792 -13.408 -4.103 1.00 0.00 N ATOM 0 H ARG A 84 -2.213 -9.802 0.282 1.00 0.00 H new ATOM 0 HA ARG A 84 -1.278 -7.191 -0.643 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.977 -8.461 -1.183 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -3.144 -7.241 -2.125 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -1.481 -8.826 -2.892 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -1.986 -10.030 -1.722 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -4.364 -9.599 -3.053 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -3.217 -9.303 -4.345 1.00 0.00 H new ATOM 0 HE ARG A 84 -2.232 -11.641 -3.265 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -5.478 -10.642 -4.289 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -5.977 -12.281 -4.722 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -2.876 -13.760 -3.826 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -4.499 -14.051 -4.458 1.00 0.00 H new ATOM 1160 N ILE A 85 -2.840 -5.685 0.614 1.00 0.00 N ATOM 1161 CA ILE A 85 -3.572 -4.808 1.511 1.00 0.00 C ATOM 1162 C ILE A 85 -4.985 -4.593 0.965 1.00 0.00 C ATOM 1163 O ILE A 85 -5.163 -4.338 -0.225 1.00 0.00 O ATOM 1164 CB ILE A 85 -2.797 -3.509 1.742 1.00 0.00 C ATOM 1165 CG1 ILE A 85 -1.321 -3.794 2.029 1.00 0.00 C ATOM 1166 CG2 ILE A 85 -3.446 -2.672 2.846 1.00 0.00 C ATOM 1167 CD1 ILE A 85 -1.167 -4.674 3.272 1.00 0.00 C ATOM 0 H ILE A 85 -2.252 -5.204 -0.066 1.00 0.00 H new ATOM 0 HA ILE A 85 -3.676 -5.268 2.494 1.00 0.00 H new ATOM 0 HB ILE A 85 -2.838 -2.919 0.826 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.868 -4.289 1.170 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.787 -2.855 2.175 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -2.875 -1.754 2.990 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.468 -2.423 2.560 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.458 -3.242 3.775 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -0.109 -4.863 3.455 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -1.600 -4.166 4.134 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.682 -5.621 3.113 1.00 0.00 H new ATOM 1178 N ILE A 86 -5.954 -4.703 1.863 1.00 0.00 N ATOM 1179 CA ILE A 86 -7.347 -4.523 1.486 1.00 0.00 C ATOM 1180 C ILE A 86 -7.934 -3.349 2.271 1.00 0.00 C ATOM 1181 O ILE A 86 -8.708 -2.560 1.729 1.00 0.00 O ATOM 1182 CB ILE A 86 -8.122 -5.830 1.661 1.00 0.00 C ATOM 1183 CG1 ILE A 86 -8.221 -6.215 3.139 1.00 0.00 C ATOM 1184 CG2 ILE A 86 -7.507 -6.949 0.819 1.00 0.00 C ATOM 1185 CD1 ILE A 86 -9.030 -7.502 3.318 1.00 0.00 C ATOM 0 H ILE A 86 -5.803 -4.914 2.849 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.427 -4.272 0.428 1.00 0.00 H new ATOM 0 HB ILE A 86 -9.138 -5.675 1.299 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -7.221 -6.350 3.551 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -8.690 -5.406 3.699 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -8.077 -7.867 0.962 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -7.531 -6.667 -0.234 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.474 -7.111 1.128 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -9.085 -7.753 4.377 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -10.037 -7.356 2.927 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -8.545 -8.315 2.777 1.00 0.00 H new ATOM 1196 N LYS A 87 -7.548 -3.272 3.537 1.00 0.00 N ATOM 1197 CA LYS A 87 -8.028 -2.207 4.402 1.00 0.00 C ATOM 1198 C LYS A 87 -6.853 -1.634 5.197 1.00 0.00 C ATOM 1199 O LYS A 87 -5.812 -2.276 5.322 1.00 0.00 O ATOM 1200 CB LYS A 87 -9.178 -2.706 5.277 1.00 0.00 C ATOM 1201 CG LYS A 87 -10.379 -3.117 4.421 1.00 0.00 C ATOM 1202 CD LYS A 87 -10.870 -4.516 4.804 1.00 0.00 C ATOM 1203 CE LYS A 87 -11.488 -5.229 3.599 1.00 0.00 C ATOM 1204 NZ LYS A 87 -12.402 -6.304 4.045 1.00 0.00 N ATOM 0 H LYS A 87 -6.909 -3.929 3.984 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.441 -1.391 3.809 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -8.844 -3.555 5.873 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -9.475 -1.923 5.975 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -11.186 -2.396 4.550 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -10.102 -3.100 3.367 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -10.038 -5.104 5.192 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -11.607 -4.441 5.604 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -12.033 -4.512 2.985 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -10.700 -5.650 2.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -12.479 -7.026 3.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -12.028 -6.740 4.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -13.342 -5.903 4.237 1.00 0.00 H new ATOM 1214 N VAL A 88 -7.061 -0.433 5.717 1.00 0.00 N ATOM 1215 CA VAL A 88 -6.033 0.233 6.498 1.00 0.00 C ATOM 1216 C VAL A 88 -6.695 1.152 7.527 1.00 0.00 C ATOM 1217 O VAL A 88 -7.515 1.998 7.171 1.00 0.00 O ATOM 1218 CB VAL A 88 -5.068 0.973 5.569 1.00 0.00 C ATOM 1219 CG1 VAL A 88 -4.096 1.843 6.368 1.00 0.00 C ATOM 1220 CG2 VAL A 88 -4.313 -0.008 4.670 1.00 0.00 C ATOM 0 H VAL A 88 -7.927 0.096 5.612 1.00 0.00 H new ATOM 0 HA VAL A 88 -5.439 -0.496 7.049 1.00 0.00 H new ATOM 0 HB VAL A 88 -5.657 1.630 4.929 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.422 2.358 5.684 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -4.656 2.578 6.946 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.517 1.214 7.044 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.634 0.543 4.020 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.742 -0.701 5.287 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -5.025 -0.566 4.062 1.00 0.00 H new ATOM 1230 N ASN A 89 -6.314 0.956 8.780 1.00 0.00 N ATOM 1231 CA ASN A 89 -6.859 1.756 9.862 1.00 0.00 C ATOM 1232 C ASN A 89 -8.387 1.767 9.762 1.00 0.00 C ATOM 1233 O ASN A 89 -9.000 2.830 9.683 1.00 0.00 O ATOM 1234 CB ASN A 89 -6.371 3.205 9.777 1.00 0.00 C ATOM 1235 CG ASN A 89 -4.941 3.331 10.307 1.00 0.00 C ATOM 1236 OD1 ASN A 89 -4.437 2.480 11.021 1.00 0.00 O ATOM 1237 ND2 ASN A 89 -4.317 4.439 9.917 1.00 0.00 N ATOM 0 H ASN A 89 -5.633 0.254 9.070 1.00 0.00 H new ATOM 0 HA ASN A 89 -6.529 1.318 10.804 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -6.411 3.547 8.743 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -7.035 3.851 10.352 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -3.358 4.617 10.216 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -4.797 5.111 9.318 1.00 0.00 H new ATOM 1243 N GLY A 90 -8.955 0.570 9.773 1.00 0.00 N ATOM 1244 CA GLY A 90 -10.400 0.428 9.684 1.00 0.00 C ATOM 1245 C GLY A 90 -10.982 1.381 8.639 1.00 0.00 C ATOM 1246 O GLY A 90 -12.141 1.780 8.735 1.00 0.00 O ATOM 0 H GLY A 90 -8.443 -0.309 9.842 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -10.652 -0.600 9.424 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -10.849 0.631 10.656 1.00 0.00 H new ATOM 1250 N GLU A 91 -10.150 1.719 7.664 1.00 0.00 N ATOM 1251 CA GLU A 91 -10.568 2.618 6.602 1.00 0.00 C ATOM 1252 C GLU A 91 -10.639 1.869 5.269 1.00 0.00 C ATOM 1253 O GLU A 91 -9.708 1.151 4.907 1.00 0.00 O ATOM 1254 CB GLU A 91 -9.631 3.823 6.503 1.00 0.00 C ATOM 1255 CG GLU A 91 -10.401 5.133 6.681 1.00 0.00 C ATOM 1256 CD GLU A 91 -11.665 5.147 5.818 1.00 0.00 C ATOM 1257 OE1 GLU A 91 -11.517 5.375 4.598 1.00 0.00 O ATOM 1258 OE2 GLU A 91 -12.749 4.928 6.398 1.00 0.00 O ATOM 0 H GLU A 91 -9.189 1.386 7.588 1.00 0.00 H new ATOM 0 HA GLU A 91 -11.564 2.992 6.841 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.854 3.747 7.264 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.130 3.820 5.535 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -10.671 5.261 7.729 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -9.762 5.974 6.411 1.00 0.00 H new ATOM 1263 N SER A 92 -11.752 2.061 4.579 1.00 0.00 N ATOM 1264 CA SER A 92 -11.957 1.411 3.294 1.00 0.00 C ATOM 1265 C SER A 92 -11.055 2.048 2.237 1.00 0.00 C ATOM 1266 O SER A 92 -11.293 3.177 1.812 1.00 0.00 O ATOM 1267 CB SER A 92 -13.423 1.495 2.863 1.00 0.00 C ATOM 1268 OG SER A 92 -14.184 2.345 3.717 1.00 0.00 O ATOM 0 H SER A 92 -12.522 2.657 4.884 1.00 0.00 H new ATOM 0 HA SER A 92 -11.697 0.358 3.397 1.00 0.00 H new ATOM 0 HB2 SER A 92 -13.479 1.866 1.840 1.00 0.00 H new ATOM 0 HB3 SER A 92 -13.859 0.496 2.864 1.00 0.00 H new ATOM 0 HG SER A 92 -15.113 2.373 3.407 1.00 0.00 H new ATOM 1273 N VAL A 93 -10.038 1.296 1.840 1.00 0.00 N ATOM 1274 CA VAL A 93 -9.099 1.774 0.839 1.00 0.00 C ATOM 1275 C VAL A 93 -9.295 0.982 -0.455 1.00 0.00 C ATOM 1276 O VAL A 93 -8.326 0.527 -1.061 1.00 0.00 O ATOM 1277 CB VAL A 93 -7.672 1.690 1.381 1.00 0.00 C ATOM 1278 CG1 VAL A 93 -7.501 2.577 2.616 1.00 0.00 C ATOM 1279 CG2 VAL A 93 -7.284 0.244 1.688 1.00 0.00 C ATOM 0 H VAL A 93 -9.844 0.359 2.194 1.00 0.00 H new ATOM 0 HA VAL A 93 -9.284 2.823 0.609 1.00 0.00 H new ATOM 0 HB VAL A 93 -6.999 2.059 0.607 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.477 2.499 2.981 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -7.714 3.613 2.352 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -8.190 2.252 3.396 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -6.264 0.215 2.072 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -7.965 -0.165 2.435 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -7.346 -0.351 0.777 1.00 0.00 H new ATOM 1289 N ILE A 94 -10.554 0.841 -0.841 1.00 0.00 N ATOM 1290 CA ILE A 94 -10.889 0.112 -2.052 1.00 0.00 C ATOM 1291 C ILE A 94 -10.610 0.998 -3.269 1.00 0.00 C ATOM 1292 O ILE A 94 -9.867 0.607 -4.168 1.00 0.00 O ATOM 1293 CB ILE A 94 -12.327 -0.406 -1.986 1.00 0.00 C ATOM 1294 CG1 ILE A 94 -12.488 -1.437 -0.868 1.00 0.00 C ATOM 1295 CG2 ILE A 94 -12.774 -0.956 -3.342 1.00 0.00 C ATOM 1296 CD1 ILE A 94 -11.724 -2.723 -1.193 1.00 0.00 C ATOM 0 H ILE A 94 -11.355 1.220 -0.336 1.00 0.00 H new ATOM 0 HA ILE A 94 -10.260 -0.773 -2.150 1.00 0.00 H new ATOM 0 HB ILE A 94 -12.981 0.432 -1.747 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -12.123 -1.020 0.071 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -13.545 -1.663 -0.727 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -13.800 -1.318 -3.268 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -12.721 -0.165 -4.091 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -12.120 -1.777 -3.635 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -11.855 -3.439 -0.382 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -12.108 -3.150 -2.120 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -10.664 -2.497 -1.309 1.00 0.00 H new ATOM 1307 N GLY A 95 -11.221 2.173 -3.257 1.00 0.00 N ATOM 1308 CA GLY A 95 -11.046 3.117 -4.348 1.00 0.00 C ATOM 1309 C GLY A 95 -9.938 4.123 -4.032 1.00 0.00 C ATOM 1310 O GLY A 95 -9.746 5.091 -4.766 1.00 0.00 O ATOM 0 H GLY A 95 -11.837 2.493 -2.510 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -10.802 2.578 -5.264 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -11.982 3.646 -4.529 1.00 0.00 H new ATOM 1314 N LYS A 96 -9.239 3.859 -2.938 1.00 0.00 N ATOM 1315 CA LYS A 96 -8.154 4.729 -2.515 1.00 0.00 C ATOM 1316 C LYS A 96 -6.874 4.338 -3.255 1.00 0.00 C ATOM 1317 O LYS A 96 -6.733 3.200 -3.700 1.00 0.00 O ATOM 1318 CB LYS A 96 -8.014 4.709 -0.991 1.00 0.00 C ATOM 1319 CG LYS A 96 -9.193 5.423 -0.324 1.00 0.00 C ATOM 1320 CD LYS A 96 -8.977 5.541 1.187 1.00 0.00 C ATOM 1321 CE LYS A 96 -9.853 6.646 1.780 1.00 0.00 C ATOM 1322 NZ LYS A 96 -9.362 7.978 1.362 1.00 0.00 N ATOM 0 H LYS A 96 -9.403 3.055 -2.332 1.00 0.00 H new ATOM 0 HA LYS A 96 -8.371 5.764 -2.779 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -7.962 3.678 -0.640 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -7.081 5.191 -0.701 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -9.314 6.416 -0.757 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -10.114 4.875 -0.522 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -9.210 4.590 1.667 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -7.928 5.754 1.393 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -10.885 6.514 1.455 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -9.850 6.576 2.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -9.170 8.557 2.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -8.487 7.868 0.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -10.083 8.446 0.777 1.00 0.00 H new ATOM 1332 N THR A 97 -5.971 5.303 -3.364 1.00 0.00 N ATOM 1333 CA THR A 97 -4.708 5.073 -4.041 1.00 0.00 C ATOM 1334 C THR A 97 -3.596 4.811 -3.024 1.00 0.00 C ATOM 1335 O THR A 97 -3.708 5.203 -1.863 1.00 0.00 O ATOM 1336 CB THR A 97 -4.431 6.275 -4.947 1.00 0.00 C ATOM 1337 OG1 THR A 97 -3.311 5.870 -5.729 1.00 0.00 O ATOM 1338 CG2 THR A 97 -3.923 7.490 -4.169 1.00 0.00 C ATOM 0 H THR A 97 -6.091 6.246 -2.994 1.00 0.00 H new ATOM 0 HA THR A 97 -4.752 4.180 -4.664 1.00 0.00 H new ATOM 0 HB THR A 97 -5.342 6.542 -5.483 1.00 0.00 H new ATOM 0 HG1 THR A 97 -2.696 6.625 -5.835 1.00 0.00 H new ATOM 0 HG21 THR A 97 -3.742 8.314 -4.859 1.00 0.00 H new ATOM 0 HG22 THR A 97 -4.670 7.789 -3.434 1.00 0.00 H new ATOM 0 HG23 THR A 97 -2.994 7.233 -3.659 1.00 0.00 H new ATOM 1346 N TYR A 98 -2.549 4.151 -3.495 1.00 0.00 N ATOM 1347 CA TYR A 98 -1.417 3.832 -2.640 1.00 0.00 C ATOM 1348 C TYR A 98 -0.906 5.080 -1.920 1.00 0.00 C ATOM 1349 O TYR A 98 -0.376 4.991 -0.813 1.00 0.00 O ATOM 1350 CB TYR A 98 -0.321 3.309 -3.570 1.00 0.00 C ATOM 1351 CG TYR A 98 1.040 3.137 -2.892 1.00 0.00 C ATOM 1352 CD1 TYR A 98 1.255 2.075 -2.039 1.00 0.00 C ATOM 1353 CD2 TYR A 98 2.051 4.045 -3.132 1.00 0.00 C ATOM 1354 CE1 TYR A 98 2.536 1.911 -1.400 1.00 0.00 C ATOM 1355 CE2 TYR A 98 3.331 3.882 -2.494 1.00 0.00 C ATOM 1356 CZ TYR A 98 3.510 2.824 -1.659 1.00 0.00 C ATOM 1357 OH TYR A 98 4.720 2.670 -1.056 1.00 0.00 O ATOM 0 H TYR A 98 -2.460 3.828 -4.458 1.00 0.00 H new ATOM 0 HA TYR A 98 -1.702 3.105 -1.880 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -0.635 2.349 -3.981 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -0.213 3.995 -4.410 1.00 0.00 H new ATOM 0 HD1 TYR A 98 0.463 1.366 -1.850 1.00 0.00 H new ATOM 0 HD2 TYR A 98 1.882 4.878 -3.798 1.00 0.00 H new ATOM 0 HE1 TYR A 98 2.718 1.083 -0.731 1.00 0.00 H new ATOM 0 HE2 TYR A 98 4.131 4.584 -2.675 1.00 0.00 H new ATOM 0 HH TYR A 98 5.319 3.394 -1.334 1.00 0.00 H new ATOM 1366 N SER A 99 -1.084 6.218 -2.576 1.00 0.00 N ATOM 1367 CA SER A 99 -0.647 7.484 -2.012 1.00 0.00 C ATOM 1368 C SER A 99 -1.573 7.892 -0.864 1.00 0.00 C ATOM 1369 O SER A 99 -1.231 8.765 -0.067 1.00 0.00 O ATOM 1370 CB SER A 99 -0.610 8.580 -3.079 1.00 0.00 C ATOM 1371 OG SER A 99 0.260 9.648 -2.716 1.00 0.00 O ATOM 0 H SER A 99 -1.525 6.289 -3.493 1.00 0.00 H new ATOM 0 HA SER A 99 0.365 7.356 -1.627 1.00 0.00 H new ATOM 0 HB2 SER A 99 -0.283 8.152 -4.027 1.00 0.00 H new ATOM 0 HB3 SER A 99 -1.616 8.969 -3.235 1.00 0.00 H new ATOM 0 HG SER A 99 0.257 10.327 -3.423 1.00 0.00 H new ATOM 1376 N GLN A 100 -2.725 7.241 -0.815 1.00 0.00 N ATOM 1377 CA GLN A 100 -3.702 7.526 0.222 1.00 0.00 C ATOM 1378 C GLN A 100 -3.442 6.651 1.451 1.00 0.00 C ATOM 1379 O GLN A 100 -3.197 7.164 2.542 1.00 0.00 O ATOM 1380 CB GLN A 100 -5.128 7.330 -0.299 1.00 0.00 C ATOM 1381 CG GLN A 100 -5.505 8.432 -1.291 1.00 0.00 C ATOM 1382 CD GLN A 100 -6.948 8.895 -1.073 1.00 0.00 C ATOM 1383 OE1 GLN A 100 -7.382 9.151 0.039 1.00 0.00 O ATOM 1384 NE2 GLN A 100 -7.661 8.989 -2.190 1.00 0.00 N ATOM 0 H GLN A 100 -3.004 6.517 -1.477 1.00 0.00 H new ATOM 0 HA GLN A 100 -3.598 8.571 0.515 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -5.212 6.356 -0.782 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -5.828 7.333 0.537 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -4.827 9.277 -1.176 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -5.387 8.065 -2.310 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -7.235 8.759 -3.088 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -8.634 9.291 -2.150 1.00 0.00 H new ATOM 1391 N VAL A 101 -3.504 5.346 1.232 1.00 0.00 N ATOM 1392 CA VAL A 101 -3.279 4.394 2.307 1.00 0.00 C ATOM 1393 C VAL A 101 -1.968 4.738 3.019 1.00 0.00 C ATOM 1394 O VAL A 101 -1.831 4.508 4.219 1.00 0.00 O ATOM 1395 CB VAL A 101 -3.306 2.968 1.759 1.00 0.00 C ATOM 1396 CG1 VAL A 101 -4.707 2.593 1.272 1.00 0.00 C ATOM 1397 CG2 VAL A 101 -2.273 2.789 0.643 1.00 0.00 C ATOM 0 H VAL A 101 -3.707 4.925 0.325 1.00 0.00 H new ATOM 0 HA VAL A 101 -4.077 4.457 3.046 1.00 0.00 H new ATOM 0 HB VAL A 101 -3.042 2.293 2.573 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -4.698 1.573 0.887 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -5.411 2.661 2.101 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -5.012 3.277 0.480 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -2.313 1.765 0.271 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.493 3.480 -0.171 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -1.276 2.994 1.034 1.00 0.00 H new ATOM 1407 N ILE A 102 -1.037 5.280 2.246 1.00 0.00 N ATOM 1408 CA ILE A 102 0.257 5.656 2.787 1.00 0.00 C ATOM 1409 C ILE A 102 0.057 6.636 3.946 1.00 0.00 C ATOM 1410 O ILE A 102 0.545 6.404 5.050 1.00 0.00 O ATOM 1411 CB ILE A 102 1.165 6.193 1.679 1.00 0.00 C ATOM 1412 CG1 ILE A 102 1.759 5.048 0.856 1.00 0.00 C ATOM 1413 CG2 ILE A 102 2.249 7.109 2.253 1.00 0.00 C ATOM 1414 CD1 ILE A 102 2.986 4.452 1.550 1.00 0.00 C ATOM 0 H ILE A 102 -1.154 5.467 1.250 1.00 0.00 H new ATOM 0 HA ILE A 102 0.768 4.783 3.192 1.00 0.00 H new ATOM 0 HB ILE A 102 0.559 6.796 1.003 1.00 0.00 H new ATOM 0 HG12 ILE A 102 1.007 4.272 0.710 1.00 0.00 H new ATOM 0 HG13 ILE A 102 2.037 5.413 -0.133 1.00 0.00 H new ATOM 0 HG21 ILE A 102 2.880 7.477 1.444 1.00 0.00 H new ATOM 0 HG22 ILE A 102 1.781 7.953 2.760 1.00 0.00 H new ATOM 0 HG23 ILE A 102 2.858 6.551 2.964 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.388 3.640 0.944 1.00 0.00 H new ATOM 0 HD12 ILE A 102 3.745 5.224 1.673 1.00 0.00 H new ATOM 0 HD13 ILE A 102 2.699 4.066 2.528 1.00 0.00 H new ATOM 1425 N ALA A 103 -0.663 7.710 3.653 1.00 0.00 N ATOM 1426 CA ALA A 103 -0.934 8.724 4.656 1.00 0.00 C ATOM 1427 C ALA A 103 -1.575 8.067 5.880 1.00 0.00 C ATOM 1428 O ALA A 103 -1.273 8.434 7.015 1.00 0.00 O ATOM 1429 CB ALA A 103 -1.818 9.817 4.051 1.00 0.00 C ATOM 0 H ALA A 103 -1.066 7.899 2.735 1.00 0.00 H new ATOM 0 HA ALA A 103 -0.008 9.197 4.983 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -2.022 10.578 4.804 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -1.305 10.272 3.204 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -2.758 9.380 3.714 1.00 0.00 H new ATOM 1435 N LEU A 104 -2.447 7.108 5.609 1.00 0.00 N ATOM 1436 CA LEU A 104 -3.134 6.396 6.673 1.00 0.00 C ATOM 1437 C LEU A 104 -2.100 5.712 7.572 1.00 0.00 C ATOM 1438 O LEU A 104 -2.208 5.761 8.795 1.00 0.00 O ATOM 1439 CB LEU A 104 -4.175 5.438 6.093 1.00 0.00 C ATOM 1440 CG LEU A 104 -5.380 6.090 5.414 1.00 0.00 C ATOM 1441 CD1 LEU A 104 -6.416 5.040 5.009 1.00 0.00 C ATOM 1442 CD2 LEU A 104 -5.987 7.181 6.299 1.00 0.00 C ATOM 0 H LEU A 104 -2.694 6.807 4.666 1.00 0.00 H new ATOM 0 HA LEU A 104 -3.692 7.092 7.299 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -3.681 4.791 5.368 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.538 4.797 6.897 1.00 0.00 H new ATOM 0 HG LEU A 104 -5.035 6.573 4.500 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.262 5.531 4.528 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.964 4.332 4.314 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -6.761 4.508 5.896 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -6.842 7.628 5.791 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.313 6.744 7.243 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.239 7.949 6.494 1.00 0.00 H new ATOM 1453 N ILE A 105 -1.123 5.089 6.928 1.00 0.00 N ATOM 1454 CA ILE A 105 -0.072 4.395 7.652 1.00 0.00 C ATOM 1455 C ILE A 105 0.772 5.416 8.417 1.00 0.00 C ATOM 1456 O ILE A 105 1.297 5.115 9.488 1.00 0.00 O ATOM 1457 CB ILE A 105 0.741 3.514 6.702 1.00 0.00 C ATOM 1458 CG1 ILE A 105 -0.120 2.388 6.126 1.00 0.00 C ATOM 1459 CG2 ILE A 105 1.997 2.979 7.390 1.00 0.00 C ATOM 1460 CD1 ILE A 105 0.179 2.172 4.642 1.00 0.00 C ATOM 0 H ILE A 105 -1.038 5.051 5.912 1.00 0.00 H new ATOM 0 HA ILE A 105 -0.501 3.717 8.390 1.00 0.00 H new ATOM 0 HB ILE A 105 1.070 4.129 5.864 1.00 0.00 H new ATOM 0 HG12 ILE A 105 0.066 1.466 6.676 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -1.175 2.629 6.256 1.00 0.00 H new ATOM 0 HG21 ILE A 105 2.557 2.356 6.692 1.00 0.00 H new ATOM 0 HG22 ILE A 105 2.620 3.814 7.711 1.00 0.00 H new ATOM 0 HG23 ILE A 105 1.711 2.385 8.258 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -0.447 1.366 4.258 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -0.032 3.089 4.091 1.00 0.00 H new ATOM 0 HD13 ILE A 105 1.229 1.907 4.517 1.00 0.00 H new ATOM 1471 N GLN A 106 0.877 6.604 7.839 1.00 0.00 N ATOM 1472 CA GLN A 106 1.648 7.670 8.455 1.00 0.00 C ATOM 1473 C GLN A 106 0.818 8.375 9.530 1.00 0.00 C ATOM 1474 O GLN A 106 1.369 8.975 10.450 1.00 0.00 O ATOM 1475 CB GLN A 106 2.141 8.667 7.402 1.00 0.00 C ATOM 1476 CG GLN A 106 3.098 7.994 6.415 1.00 0.00 C ATOM 1477 CD GLN A 106 4.283 8.906 6.094 1.00 0.00 C ATOM 1478 OE1 GLN A 106 4.468 9.959 6.682 1.00 0.00 O ATOM 1479 NE2 GLN A 106 5.073 8.444 5.128 1.00 0.00 N ATOM 0 H GLN A 106 0.441 6.851 6.951 1.00 0.00 H new ATOM 0 HA GLN A 106 2.524 7.230 8.932 1.00 0.00 H new ATOM 0 HB2 GLN A 106 1.290 9.083 6.863 1.00 0.00 H new ATOM 0 HB3 GLN A 106 2.645 9.500 7.892 1.00 0.00 H new ATOM 0 HG2 GLN A 106 3.460 7.056 6.836 1.00 0.00 H new ATOM 0 HG3 GLN A 106 2.565 7.747 5.497 1.00 0.00 H new ATOM 0 HE21 GLN A 106 4.860 7.554 4.677 1.00 0.00 H new ATOM 0 HE22 GLN A 106 5.891 8.980 4.839 1.00 0.00 H new ATOM 1486 N ASN A 107 -0.495 8.277 9.377 1.00 0.00 N ATOM 1487 CA ASN A 107 -1.406 8.896 10.323 1.00 0.00 C ATOM 1488 C ASN A 107 -1.881 7.847 11.330 1.00 0.00 C ATOM 1489 O ASN A 107 -2.903 8.031 11.989 1.00 0.00 O ATOM 1490 CB ASN A 107 -2.638 9.460 9.613 1.00 0.00 C ATOM 1491 CG ASN A 107 -2.368 10.871 9.085 1.00 0.00 C ATOM 1492 OD1 ASN A 107 -2.171 11.814 9.833 1.00 0.00 O ATOM 1493 ND2 ASN A 107 -2.371 10.961 7.758 1.00 0.00 N ATOM 0 H ASN A 107 -0.949 7.778 8.612 1.00 0.00 H new ATOM 0 HA ASN A 107 -0.874 9.706 10.821 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -2.918 8.806 8.787 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -3.482 9.481 10.303 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -2.201 11.860 7.307 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -2.543 10.131 7.191 1.00 0.00 H new ATOM 1499 N SER A 108 -1.115 6.768 11.417 1.00 0.00 N ATOM 1500 CA SER A 108 -1.445 5.688 12.332 1.00 0.00 C ATOM 1501 C SER A 108 -1.396 6.194 13.776 1.00 0.00 C ATOM 1502 O SER A 108 -1.866 5.518 14.691 1.00 0.00 O ATOM 1503 CB SER A 108 -0.494 4.503 12.152 1.00 0.00 C ATOM 1504 OG SER A 108 0.470 4.428 13.199 1.00 0.00 O ATOM 0 H SER A 108 -0.268 6.619 10.869 1.00 0.00 H new ATOM 0 HA SER A 108 -2.455 5.345 12.107 1.00 0.00 H new ATOM 0 HB2 SER A 108 -1.069 3.578 12.122 1.00 0.00 H new ATOM 0 HB3 SER A 108 0.018 4.591 11.194 1.00 0.00 H new ATOM 0 HG SER A 108 0.042 4.093 14.014 1.00 0.00 H new ATOM 1509 N ASP A 109 -0.821 7.377 13.936 1.00 0.00 N ATOM 1510 CA ASP A 109 -0.705 7.980 15.253 1.00 0.00 C ATOM 1511 C ASP A 109 0.138 7.073 16.151 1.00 0.00 C ATOM 1512 O ASP A 109 1.366 7.145 16.135 1.00 0.00 O ATOM 1513 CB ASP A 109 -2.078 8.148 15.906 1.00 0.00 C ATOM 1514 CG ASP A 109 -2.050 8.426 17.410 1.00 0.00 C ATOM 1515 OD1 ASP A 109 -1.173 9.216 17.824 1.00 0.00 O ATOM 1516 OD2 ASP A 109 -2.904 7.844 18.112 1.00 0.00 O ATOM 0 H ASP A 109 -0.431 7.934 13.176 1.00 0.00 H new ATOM 0 HA ASP A 109 -0.240 8.959 15.136 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -2.601 8.966 15.411 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -2.660 7.244 15.730 1.00 0.00 H new ATOM 1520 N THR A 110 -0.554 6.241 16.914 1.00 0.00 N ATOM 1521 CA THR A 110 0.115 5.320 17.818 1.00 0.00 C ATOM 1522 C THR A 110 0.342 3.971 17.134 1.00 0.00 C ATOM 1523 O THR A 110 1.481 3.553 16.938 1.00 0.00 O ATOM 1524 CB THR A 110 -0.720 5.221 19.096 1.00 0.00 C ATOM 1525 OG1 THR A 110 -0.548 6.490 19.723 1.00 0.00 O ATOM 1526 CG2 THR A 110 -0.136 4.227 20.102 1.00 0.00 C ATOM 0 H THR A 110 -1.572 6.185 16.925 1.00 0.00 H new ATOM 0 HA THR A 110 1.107 5.682 18.088 1.00 0.00 H new ATOM 0 HB THR A 110 -1.738 4.925 18.842 1.00 0.00 H new ATOM 0 HG1 THR A 110 -1.058 6.513 20.560 1.00 0.00 H new ATOM 0 HG21 THR A 110 -0.767 4.195 20.990 1.00 0.00 H new ATOM 0 HG22 THR A 110 -0.094 3.235 19.651 1.00 0.00 H new ATOM 0 HG23 THR A 110 0.870 4.541 20.382 1.00 0.00 H new ATOM 1534 N THR A 111 -0.764 3.325 16.789 1.00 0.00 N ATOM 1535 CA THR A 111 -0.701 2.032 16.131 1.00 0.00 C ATOM 1536 C THR A 111 -1.123 2.158 14.666 1.00 0.00 C ATOM 1537 O THR A 111 -1.624 3.200 14.248 1.00 0.00 O ATOM 1538 CB THR A 111 -1.562 1.052 16.930 1.00 0.00 C ATOM 1539 OG1 THR A 111 -2.552 1.877 17.537 1.00 0.00 O ATOM 1540 CG2 THR A 111 -0.809 0.441 18.114 1.00 0.00 C ATOM 0 H THR A 111 -1.708 3.674 16.953 1.00 0.00 H new ATOM 0 HA THR A 111 0.319 1.648 16.110 1.00 0.00 H new ATOM 0 HB THR A 111 -1.911 0.256 16.273 1.00 0.00 H new ATOM 0 HG1 THR A 111 -3.096 2.301 16.841 1.00 0.00 H new ATOM 0 HG21 THR A 111 -1.466 -0.247 18.647 1.00 0.00 H new ATOM 0 HG22 THR A 111 0.064 -0.100 17.750 1.00 0.00 H new ATOM 0 HG23 THR A 111 -0.489 1.234 18.790 1.00 0.00 H new ATOM 1548 N LEU A 112 -0.903 1.081 13.926 1.00 0.00 N ATOM 1549 CA LEU A 112 -1.256 1.057 12.517 1.00 0.00 C ATOM 1550 C LEU A 112 -1.930 -0.276 12.185 1.00 0.00 C ATOM 1551 O LEU A 112 -1.274 -1.317 12.156 1.00 0.00 O ATOM 1552 CB LEU A 112 -0.029 1.357 11.653 1.00 0.00 C ATOM 1553 CG LEU A 112 -0.282 1.479 10.147 1.00 0.00 C ATOM 1554 CD1 LEU A 112 0.156 0.211 9.415 1.00 0.00 C ATOM 1555 CD2 LEU A 112 -1.743 1.831 9.864 1.00 0.00 C ATOM 0 H LEU A 112 -0.485 0.219 14.276 1.00 0.00 H new ATOM 0 HA LEU A 112 -1.977 1.843 12.292 1.00 0.00 H new ATOM 0 HB2 LEU A 112 0.418 2.287 12.003 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.706 0.569 11.815 1.00 0.00 H new ATOM 0 HG LEU A 112 0.325 2.298 9.762 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -0.034 0.323 8.348 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.221 0.046 9.579 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.406 -0.642 9.796 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -1.896 1.912 8.788 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -2.390 1.050 10.265 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -1.986 2.782 10.337 1.00 0.00 H new ATOM 1566 N GLU A 113 -3.230 -0.202 11.944 1.00 0.00 N ATOM 1567 CA GLU A 113 -4.000 -1.390 11.616 1.00 0.00 C ATOM 1568 C GLU A 113 -4.021 -1.607 10.102 1.00 0.00 C ATOM 1569 O GLU A 113 -4.023 -0.648 9.332 1.00 0.00 O ATOM 1570 CB GLU A 113 -5.421 -1.296 12.176 1.00 0.00 C ATOM 1571 CG GLU A 113 -6.197 -2.589 11.923 1.00 0.00 C ATOM 1572 CD GLU A 113 -7.700 -2.372 12.114 1.00 0.00 C ATOM 1573 OE1 GLU A 113 -8.096 -2.144 13.277 1.00 0.00 O ATOM 1574 OE2 GLU A 113 -8.417 -2.440 11.092 1.00 0.00 O ATOM 0 H GLU A 113 -3.770 0.663 11.969 1.00 0.00 H new ATOM 0 HA GLU A 113 -3.519 -2.250 12.081 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -5.381 -1.095 13.247 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -5.943 -0.458 11.714 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -6.003 -2.942 10.910 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -5.849 -3.366 12.604 1.00 0.00 H new ATOM 1579 N LEU A 114 -4.036 -2.875 9.718 1.00 0.00 N ATOM 1580 CA LEU A 114 -4.057 -3.231 8.310 1.00 0.00 C ATOM 1581 C LEU A 114 -5.030 -4.393 8.096 1.00 0.00 C ATOM 1582 O LEU A 114 -5.753 -4.780 9.013 1.00 0.00 O ATOM 1583 CB LEU A 114 -2.640 -3.515 7.808 1.00 0.00 C ATOM 1584 CG LEU A 114 -1.624 -2.386 7.991 1.00 0.00 C ATOM 1585 CD1 LEU A 114 -0.195 -2.933 8.020 1.00 0.00 C ATOM 1586 CD2 LEU A 114 -1.804 -1.308 6.921 1.00 0.00 C ATOM 0 H LEU A 114 -4.034 -3.669 10.358 1.00 0.00 H new ATOM 0 HA LEU A 114 -4.421 -2.396 7.712 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -2.265 -4.401 8.321 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.694 -3.760 6.747 1.00 0.00 H new ATOM 0 HG LEU A 114 -1.807 -1.915 8.957 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.507 -2.110 8.151 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -0.091 -3.634 8.848 1.00 0.00 H new ATOM 0 HD13 LEU A 114 0.018 -3.445 7.082 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -1.070 -0.517 7.074 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -1.663 -1.748 5.934 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -2.808 -0.889 6.992 1.00 0.00 H new ATOM 1597 N SER A 115 -5.017 -4.917 6.879 1.00 0.00 N ATOM 1598 CA SER A 115 -5.888 -6.028 6.533 1.00 0.00 C ATOM 1599 C SER A 115 -5.466 -6.625 5.189 1.00 0.00 C ATOM 1600 O SER A 115 -5.191 -5.893 4.240 1.00 0.00 O ATOM 1601 CB SER A 115 -7.351 -5.583 6.481 1.00 0.00 C ATOM 1602 OG SER A 115 -7.639 -4.577 7.449 1.00 0.00 O ATOM 0 H SER A 115 -4.417 -4.593 6.120 1.00 0.00 H new ATOM 0 HA SER A 115 -5.795 -6.791 7.306 1.00 0.00 H new ATOM 0 HB2 SER A 115 -7.579 -5.203 5.485 1.00 0.00 H new ATOM 0 HB3 SER A 115 -7.998 -6.444 6.650 1.00 0.00 H new ATOM 0 HG SER A 115 -7.366 -4.889 8.337 1.00 0.00 H new ATOM 1607 N VAL A 116 -5.429 -7.949 5.153 1.00 0.00 N ATOM 1608 CA VAL A 116 -5.047 -8.654 3.940 1.00 0.00 C ATOM 1609 C VAL A 116 -6.040 -9.787 3.678 1.00 0.00 C ATOM 1610 O VAL A 116 -7.128 -9.807 4.249 1.00 0.00 O ATOM 1611 CB VAL A 116 -3.600 -9.140 4.054 1.00 0.00 C ATOM 1612 CG1 VAL A 116 -2.688 -8.031 4.581 1.00 0.00 C ATOM 1613 CG2 VAL A 116 -3.509 -10.389 4.933 1.00 0.00 C ATOM 0 H VAL A 116 -5.657 -8.552 5.943 1.00 0.00 H new ATOM 0 HA VAL A 116 -5.086 -7.985 3.080 1.00 0.00 H new ATOM 0 HB VAL A 116 -3.257 -9.408 3.055 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -1.666 -8.403 4.652 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -2.718 -7.181 3.899 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -3.029 -7.717 5.568 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -2.470 -10.714 4.997 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -3.880 -10.159 5.932 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -4.112 -11.186 4.497 1.00 0.00 H new ATOM 1623 N MET A 117 -5.628 -10.702 2.813 1.00 0.00 N ATOM 1624 CA MET A 117 -6.470 -11.836 2.469 1.00 0.00 C ATOM 1625 C MET A 117 -5.631 -13.102 2.275 1.00 0.00 C ATOM 1626 O MET A 117 -4.977 -13.266 1.245 1.00 0.00 O ATOM 1627 CB MET A 117 -7.237 -11.531 1.182 1.00 0.00 C ATOM 1628 CG MET A 117 -8.594 -10.896 1.491 1.00 0.00 C ATOM 1629 SD MET A 117 -9.842 -12.164 1.634 1.00 0.00 S ATOM 1630 CE MET A 117 -10.524 -11.749 3.231 1.00 0.00 C ATOM 0 H MET A 117 -4.724 -10.682 2.341 1.00 0.00 H new ATOM 0 HA MET A 117 -7.169 -12.007 3.287 1.00 0.00 H new ATOM 0 HB2 MET A 117 -6.651 -10.859 0.556 1.00 0.00 H new ATOM 0 HB3 MET A 117 -7.382 -12.450 0.614 1.00 0.00 H new ATOM 0 HG2 MET A 117 -8.535 -10.326 2.418 1.00 0.00 H new ATOM 0 HG3 MET A 117 -8.865 -10.195 0.702 1.00 0.00 H new ATOM 0 HE1 MET A 117 -11.402 -12.366 3.423 1.00 0.00 H new ATOM 0 HE2 MET A 117 -9.777 -11.930 4.004 1.00 0.00 H new ATOM 0 HE3 MET A 117 -10.811 -10.697 3.242 1.00 0.00 H new ATOM 1638 N PRO A 118 -5.676 -13.985 3.306 1.00 0.00 N ATOM 1639 CA PRO A 118 -4.930 -15.231 3.260 1.00 0.00 C ATOM 1640 C PRO A 118 -5.599 -16.238 2.321 1.00 0.00 C ATOM 1641 O PRO A 118 -6.824 -16.359 2.306 1.00 0.00 O ATOM 1642 CB PRO A 118 -4.872 -15.710 4.701 1.00 0.00 C ATOM 1643 CG PRO A 118 -5.978 -14.967 5.432 1.00 0.00 C ATOM 1644 CD PRO A 118 -6.439 -13.825 4.542 1.00 0.00 C ATOM 0 HA PRO A 118 -3.925 -15.104 2.856 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -5.020 -16.788 4.760 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -3.899 -15.497 5.144 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -6.808 -15.638 5.652 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -5.615 -14.585 6.386 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -7.511 -13.877 4.355 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -6.243 -12.858 5.006 1.00 0.00 H new ATOM 1649 N LYS A 119 -4.768 -16.934 1.561 1.00 0.00 N ATOM 1650 CA LYS A 119 -5.264 -17.926 0.621 1.00 0.00 C ATOM 1651 C LYS A 119 -5.341 -19.286 1.319 1.00 0.00 C ATOM 1652 O LYS A 119 -4.790 -19.465 2.404 1.00 0.00 O ATOM 1653 CB LYS A 119 -4.414 -17.933 -0.650 1.00 0.00 C ATOM 1654 CG LYS A 119 -5.292 -17.818 -1.897 1.00 0.00 C ATOM 1655 CD LYS A 119 -4.490 -17.279 -3.084 1.00 0.00 C ATOM 1656 CE LYS A 119 -5.041 -17.816 -4.406 1.00 0.00 C ATOM 1657 NZ LYS A 119 -3.939 -18.304 -5.266 1.00 0.00 N ATOM 0 H LYS A 119 -3.753 -16.831 1.576 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.274 -17.675 0.297 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -3.705 -17.105 -0.622 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -3.829 -18.852 -0.696 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -5.705 -18.795 -2.146 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -6.135 -17.158 -1.693 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.525 -16.190 -3.087 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -3.443 -17.564 -2.980 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -5.745 -18.626 -4.212 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -5.593 -17.031 -4.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -4.330 -18.665 -6.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -3.283 -17.522 -5.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -3.429 -19.068 -4.777 1.00 0.00 H new ATOM 1667 N ASP A 120 -6.029 -20.211 0.665 1.00 0.00 N ATOM 1668 CA ASP A 120 -6.186 -21.549 1.207 1.00 0.00 C ATOM 1669 C ASP A 120 -4.804 -22.166 1.439 1.00 0.00 C ATOM 1670 O ASP A 120 -3.979 -22.210 0.527 1.00 0.00 O ATOM 1671 CB ASP A 120 -6.949 -22.451 0.235 1.00 0.00 C ATOM 1672 CG ASP A 120 -8.348 -21.958 -0.143 1.00 0.00 C ATOM 1673 OD1 ASP A 120 -9.277 -22.226 0.648 1.00 0.00 O ATOM 1674 OD2 ASP A 120 -8.453 -21.322 -1.214 1.00 0.00 O ATOM 0 H ASP A 120 -6.484 -20.059 -0.235 1.00 0.00 H new ATOM 0 HA ASP A 120 -6.744 -21.472 2.140 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -6.360 -22.559 -0.676 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -7.037 -23.443 0.677 1.00 0.00 H new ATOM 1678 N SER A 121 -4.595 -22.629 2.663 1.00 0.00 N ATOM 1679 CA SER A 121 -3.328 -23.240 3.025 1.00 0.00 C ATOM 1680 C SER A 121 -3.546 -24.281 4.126 1.00 0.00 C ATOM 1681 O SER A 121 -4.508 -24.193 4.886 1.00 0.00 O ATOM 1682 CB SER A 121 -2.318 -22.186 3.483 1.00 0.00 C ATOM 1683 OG SER A 121 -0.974 -22.621 3.300 1.00 0.00 O ATOM 0 H SER A 121 -5.282 -22.593 3.416 1.00 0.00 H new ATOM 0 HA SER A 121 -2.921 -23.733 2.142 1.00 0.00 H new ATOM 0 HB2 SER A 121 -2.479 -21.263 2.926 1.00 0.00 H new ATOM 0 HB3 SER A 121 -2.485 -21.957 4.535 1.00 0.00 H new ATOM 0 HG SER A 121 -0.359 -21.920 3.602 1.00 0.00 H new ATOM 1688 N GLY A 122 -2.634 -25.241 4.177 1.00 0.00 N ATOM 1689 CA GLY A 122 -2.714 -26.295 5.172 1.00 0.00 C ATOM 1690 C GLY A 122 -1.666 -27.378 4.909 1.00 0.00 C ATOM 1691 O GLY A 122 -1.934 -28.347 4.201 1.00 0.00 O ATOM 0 H GLY A 122 -1.836 -25.310 3.545 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -2.565 -25.874 6.166 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -3.710 -26.737 5.159 1.00 0.00 H new ATOM 1695 N PRO A 123 -0.462 -27.172 5.508 1.00 0.00 N ATOM 1696 CA PRO A 123 0.627 -28.119 5.345 1.00 0.00 C ATOM 1697 C PRO A 123 0.389 -29.379 6.181 1.00 0.00 C ATOM 1698 O PRO A 123 0.907 -30.447 5.861 1.00 0.00 O ATOM 1699 CB PRO A 123 1.876 -27.357 5.761 1.00 0.00 C ATOM 1700 CG PRO A 123 1.387 -26.172 6.579 1.00 0.00 C ATOM 1701 CD PRO A 123 -0.109 -26.035 6.353 1.00 0.00 C ATOM 0 HA PRO A 123 0.719 -28.481 4.321 1.00 0.00 H new ATOM 0 HB2 PRO A 123 2.542 -27.989 6.348 1.00 0.00 H new ATOM 0 HB3 PRO A 123 2.439 -27.024 4.889 1.00 0.00 H new ATOM 0 HG2 PRO A 123 1.601 -26.324 7.637 1.00 0.00 H new ATOM 0 HG3 PRO A 123 1.904 -25.261 6.277 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -0.656 -26.058 7.296 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -0.351 -25.090 5.867 1.00 0.00 H new ATOM 1706 N SER A 124 -0.395 -29.210 7.236 1.00 0.00 N ATOM 1707 CA SER A 124 -0.708 -30.319 8.119 1.00 0.00 C ATOM 1708 C SER A 124 -2.221 -30.401 8.342 1.00 0.00 C ATOM 1709 O SER A 124 -2.920 -29.394 8.240 1.00 0.00 O ATOM 1710 CB SER A 124 0.019 -30.181 9.457 1.00 0.00 C ATOM 1711 OG SER A 124 0.471 -31.438 9.954 1.00 0.00 O ATOM 0 H SER A 124 -0.822 -28.322 7.498 1.00 0.00 H new ATOM 0 HA SER A 124 -0.367 -31.239 7.645 1.00 0.00 H new ATOM 0 HB2 SER A 124 0.871 -29.511 9.339 1.00 0.00 H new ATOM 0 HB3 SER A 124 -0.649 -29.722 10.186 1.00 0.00 H new ATOM 0 HG SER A 124 0.931 -31.305 10.809 1.00 0.00 H new ATOM 1716 N SER A 125 -2.678 -31.607 8.640 1.00 0.00 N ATOM 1717 CA SER A 125 -4.094 -31.832 8.880 1.00 0.00 C ATOM 1718 C SER A 125 -4.395 -31.733 10.376 1.00 0.00 C ATOM 1719 O SER A 125 -5.262 -30.964 10.788 1.00 0.00 O ATOM 1720 CB SER A 125 -4.533 -33.194 8.339 1.00 0.00 C ATOM 1721 OG SER A 125 -5.461 -33.070 7.265 1.00 0.00 O ATOM 0 H SER A 125 -2.094 -32.439 8.721 1.00 0.00 H new ATOM 0 HA SER A 125 -4.657 -31.062 8.352 1.00 0.00 H new ATOM 0 HB2 SER A 125 -3.658 -33.748 7.999 1.00 0.00 H new ATOM 0 HB3 SER A 125 -4.985 -33.774 9.143 1.00 0.00 H new ATOM 0 HG SER A 125 -5.715 -33.962 6.947 1.00 0.00 H new ATOM 1726 N GLY A 126 -3.662 -32.521 11.149 1.00 0.00 N ATOM 1727 CA GLY A 126 -3.841 -32.530 12.591 1.00 0.00 C ATOM 1728 C GLY A 126 -4.396 -33.874 13.066 1.00 0.00 C ATOM 1729 O GLY A 126 -4.779 -34.714 12.252 1.00 0.00 O ATOM 0 H GLY A 126 -2.943 -33.157 10.804 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -2.887 -32.333 13.081 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -4.520 -31.729 12.882 1.00 0.00 H new TER 1733 GLY A 126