USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 645 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 9 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 58 THR OG1 : rot 141:sc= 1.24 USER MOD Set 2.1: A 8 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 73 HIS : no HD1:sc= -2.56 X(o=-2.6,f=-2.8!) USER MOD Set 3.1: A 5 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -123:sc= 0.102 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -16:sc= 0.796 USER MOD Single : A 10 TYR OH : rot -105:sc= 0.399 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -1.76 K(o=-1.8,f=-0.53) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= -0.269 USER MOD Single : A 36 HIS : no HD1:sc= -1.32! C(o=-1.3!,f=-6.1!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -2.68! C(o=-2.7!,f=-5.5!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -84:sc= 0.275! USER MOD Single : A 63 ASN : amide:sc= -0.903 K(o=-0.9,f=-0.042) USER MOD Single : A 66 LYS NZ :NH3+ -134:sc= 0 (180deg=-0.293) USER MOD Single : A 68 TYR OH : rot 180:sc= -1.13 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot -109:sc= 1.22 USER MOD Single : A 78 SER OG : rot -82:sc= 0.028 USER MOD Single : A 80 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000494) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.756 18.132 -13.403 1.00 0.00 N ATOM 2 CA GLY A 1 11.339 17.133 -12.436 1.00 0.00 C ATOM 3 C GLY A 1 10.300 16.182 -12.998 1.00 0.00 C ATOM 4 O GLY A 1 9.842 16.349 -14.128 1.00 0.00 O ATOM 0 H1 GLY A 1 12.787 18.081 -13.533 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.283 17.954 -14.312 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.497 19.078 -13.058 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.209 16.564 -12.108 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.933 17.631 -11.555 1.00 0.00 H new ATOM 8 N SER A 2 9.929 15.181 -12.207 1.00 0.00 N ATOM 9 CA SER A 2 8.942 14.196 -12.633 1.00 0.00 C ATOM 10 C SER A 2 7.581 14.483 -12.006 1.00 0.00 C ATOM 11 O SER A 2 6.879 13.569 -11.573 1.00 0.00 O ATOM 12 CB SER A 2 9.402 12.786 -12.258 1.00 0.00 C ATOM 13 OG SER A 2 10.384 12.312 -13.163 1.00 0.00 O ATOM 0 H SER A 2 10.297 15.030 -11.268 1.00 0.00 H new ATOM 0 HA SER A 2 8.844 14.262 -13.717 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.807 12.789 -11.246 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.547 12.110 -12.257 1.00 0.00 H new ATOM 0 HG SER A 2 10.663 11.410 -12.900 1.00 0.00 H new ATOM 19 N SER A 3 7.216 15.761 -11.959 1.00 0.00 N ATOM 20 CA SER A 3 5.942 16.171 -11.382 1.00 0.00 C ATOM 21 C SER A 3 5.684 15.446 -10.064 1.00 0.00 C ATOM 22 O SER A 3 4.560 15.037 -9.777 1.00 0.00 O ATOM 23 CB SER A 3 4.800 15.893 -12.361 1.00 0.00 C ATOM 24 OG SER A 3 4.510 14.507 -12.427 1.00 0.00 O ATOM 0 H SER A 3 7.785 16.530 -12.314 1.00 0.00 H new ATOM 0 HA SER A 3 5.989 17.242 -11.185 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.910 16.440 -12.050 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.069 16.259 -13.352 1.00 0.00 H new ATOM 0 HG SER A 3 5.251 13.999 -12.036 1.00 0.00 H new ATOM 30 N GLY A 4 6.736 15.289 -9.266 1.00 0.00 N ATOM 31 CA GLY A 4 6.604 14.613 -7.989 1.00 0.00 C ATOM 32 C GLY A 4 6.882 13.126 -8.088 1.00 0.00 C ATOM 33 O GLY A 4 6.269 12.426 -8.894 1.00 0.00 O ATOM 0 H GLY A 4 7.677 15.618 -9.481 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.292 15.061 -7.272 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.596 14.766 -7.603 1.00 0.00 H new ATOM 37 N SER A 5 7.810 12.643 -7.268 1.00 0.00 N ATOM 38 CA SER A 5 8.172 11.230 -7.271 1.00 0.00 C ATOM 39 C SER A 5 6.963 10.360 -6.942 1.00 0.00 C ATOM 40 O SER A 5 6.586 9.482 -7.719 1.00 0.00 O ATOM 41 CB SER A 5 9.293 10.968 -6.265 1.00 0.00 C ATOM 42 OG SER A 5 9.599 9.586 -6.191 1.00 0.00 O ATOM 0 H SER A 5 8.325 13.209 -6.593 1.00 0.00 H new ATOM 0 HA SER A 5 8.523 10.971 -8.270 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.184 11.526 -6.555 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.995 11.331 -5.281 1.00 0.00 H new ATOM 0 HG SER A 5 10.320 9.445 -5.542 1.00 0.00 H new ATOM 48 N SER A 6 6.360 10.609 -5.784 1.00 0.00 N ATOM 49 CA SER A 6 5.196 9.846 -5.348 1.00 0.00 C ATOM 50 C SER A 6 3.994 10.761 -5.138 1.00 0.00 C ATOM 51 O SER A 6 4.044 11.696 -4.340 1.00 0.00 O ATOM 52 CB SER A 6 5.510 9.091 -4.055 1.00 0.00 C ATOM 53 OG SER A 6 6.594 8.197 -4.236 1.00 0.00 O ATOM 0 H SER A 6 6.658 11.333 -5.131 1.00 0.00 H new ATOM 0 HA SER A 6 4.950 9.127 -6.129 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.749 9.802 -3.264 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.629 8.538 -3.730 1.00 0.00 H new ATOM 0 HG SER A 6 6.776 7.728 -3.395 1.00 0.00 H new ATOM 59 N GLY A 7 2.913 10.484 -5.861 1.00 0.00 N ATOM 60 CA GLY A 7 1.713 11.291 -5.740 1.00 0.00 C ATOM 61 C GLY A 7 0.504 10.474 -5.327 1.00 0.00 C ATOM 62 O GLY A 7 0.073 10.528 -4.175 1.00 0.00 O ATOM 0 H GLY A 7 2.847 9.715 -6.528 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.882 12.080 -5.007 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.509 11.779 -6.693 1.00 0.00 H new ATOM 66 N SER A 8 -0.045 9.715 -6.270 1.00 0.00 N ATOM 67 CA SER A 8 -1.215 8.888 -6.000 1.00 0.00 C ATOM 68 C SER A 8 -0.812 7.583 -5.319 1.00 0.00 C ATOM 69 O SER A 8 0.249 7.025 -5.600 1.00 0.00 O ATOM 70 CB SER A 8 -1.965 8.588 -7.300 1.00 0.00 C ATOM 71 OG SER A 8 -2.603 9.749 -7.801 1.00 0.00 O ATOM 0 H SER A 8 0.302 9.656 -7.227 1.00 0.00 H new ATOM 0 HA SER A 8 -1.873 9.440 -5.329 1.00 0.00 H new ATOM 0 HB2 SER A 8 -1.268 8.202 -8.044 1.00 0.00 H new ATOM 0 HB3 SER A 8 -2.707 7.809 -7.124 1.00 0.00 H new ATOM 0 HG SER A 8 -3.074 9.531 -8.632 1.00 0.00 H new ATOM 77 N TYR A 9 -1.667 7.103 -4.423 1.00 0.00 N ATOM 78 CA TYR A 9 -1.401 5.866 -3.699 1.00 0.00 C ATOM 79 C TYR A 9 -0.791 4.815 -4.622 1.00 0.00 C ATOM 80 O TYR A 9 0.324 4.346 -4.395 1.00 0.00 O ATOM 81 CB TYR A 9 -2.690 5.327 -3.076 1.00 0.00 C ATOM 82 CG TYR A 9 -3.384 6.318 -2.169 1.00 0.00 C ATOM 83 CD1 TYR A 9 -2.685 7.375 -1.599 1.00 0.00 C ATOM 84 CD2 TYR A 9 -4.737 6.196 -1.881 1.00 0.00 C ATOM 85 CE1 TYR A 9 -3.315 8.282 -0.769 1.00 0.00 C ATOM 86 CE2 TYR A 9 -5.376 7.100 -1.053 1.00 0.00 C ATOM 87 CZ TYR A 9 -4.660 8.141 -0.499 1.00 0.00 C ATOM 88 OH TYR A 9 -5.292 9.042 0.327 1.00 0.00 O ATOM 0 H TYR A 9 -2.550 7.552 -4.181 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.687 6.086 -2.906 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -3.374 5.035 -3.873 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -2.460 4.426 -2.507 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -1.632 7.489 -1.808 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -5.300 5.381 -2.311 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -2.757 9.098 -0.334 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.429 6.992 -0.841 1.00 0.00 H new ATOM 0 HH TYR A 9 -6.238 8.800 0.412 1.00 0.00 H new ATOM 98 N TYR A 10 -1.531 4.452 -5.663 1.00 0.00 N ATOM 99 CA TYR A 10 -1.065 3.455 -6.621 1.00 0.00 C ATOM 100 C TYR A 10 0.444 3.556 -6.821 1.00 0.00 C ATOM 101 O TYR A 10 1.128 2.545 -6.986 1.00 0.00 O ATOM 102 CB TYR A 10 -1.781 3.632 -7.961 1.00 0.00 C ATOM 103 CG TYR A 10 -3.274 3.401 -7.885 1.00 0.00 C ATOM 104 CD1 TYR A 10 -3.799 2.372 -7.113 1.00 0.00 C ATOM 105 CD2 TYR A 10 -4.158 4.212 -8.584 1.00 0.00 C ATOM 106 CE1 TYR A 10 -5.162 2.157 -7.041 1.00 0.00 C ATOM 107 CE2 TYR A 10 -5.523 4.006 -8.517 1.00 0.00 C ATOM 108 CZ TYR A 10 -6.020 2.977 -7.745 1.00 0.00 C ATOM 109 OH TYR A 10 -7.378 2.767 -7.675 1.00 0.00 O ATOM 0 H TYR A 10 -2.455 4.832 -5.866 1.00 0.00 H new ATOM 0 HA TYR A 10 -1.295 2.468 -6.221 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -1.596 4.640 -8.332 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -1.351 2.942 -8.687 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -3.130 1.729 -6.560 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -3.772 5.018 -9.191 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -5.554 1.352 -6.437 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -6.197 4.647 -9.066 1.00 0.00 H new ATOM 0 HH TYR A 10 -7.689 2.354 -8.508 1.00 0.00 H new ATOM 119 N ASP A 11 0.956 4.781 -6.805 1.00 0.00 N ATOM 120 CA ASP A 11 2.384 5.015 -6.983 1.00 0.00 C ATOM 121 C ASP A 11 3.145 4.739 -5.690 1.00 0.00 C ATOM 122 O ASP A 11 4.165 4.049 -5.694 1.00 0.00 O ATOM 123 CB ASP A 11 2.634 6.454 -7.439 1.00 0.00 C ATOM 124 CG ASP A 11 3.873 6.580 -8.304 1.00 0.00 C ATOM 125 OD1 ASP A 11 3.835 6.122 -9.466 1.00 0.00 O ATOM 126 OD2 ASP A 11 4.880 7.138 -7.820 1.00 0.00 O ATOM 0 H ASP A 11 0.403 5.628 -6.671 1.00 0.00 H new ATOM 0 HA ASP A 11 2.746 4.331 -7.750 1.00 0.00 H new ATOM 0 HB2 ASP A 11 1.768 6.811 -7.996 1.00 0.00 H new ATOM 0 HB3 ASP A 11 2.738 7.096 -6.565 1.00 0.00 H new ATOM 131 N ILE A 12 2.644 5.284 -4.587 1.00 0.00 N ATOM 132 CA ILE A 12 3.277 5.096 -3.287 1.00 0.00 C ATOM 133 C ILE A 12 3.401 3.615 -2.945 1.00 0.00 C ATOM 134 O ILE A 12 4.421 3.173 -2.414 1.00 0.00 O ATOM 135 CB ILE A 12 2.489 5.805 -2.170 1.00 0.00 C ATOM 136 CG1 ILE A 12 2.299 7.285 -2.509 1.00 0.00 C ATOM 137 CG2 ILE A 12 3.205 5.650 -0.836 1.00 0.00 C ATOM 138 CD1 ILE A 12 1.287 7.982 -1.628 1.00 0.00 C ATOM 0 H ILE A 12 1.802 5.859 -4.567 1.00 0.00 H new ATOM 0 HA ILE A 12 4.272 5.535 -3.354 1.00 0.00 H new ATOM 0 HB ILE A 12 1.506 5.341 -2.089 1.00 0.00 H new ATOM 0 HG12 ILE A 12 3.258 7.795 -2.421 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.985 7.374 -3.549 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.636 6.156 -0.057 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.293 4.592 -0.591 1.00 0.00 H new ATOM 0 HG23 ILE A 12 4.200 6.091 -0.903 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.204 9.027 -1.926 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.317 7.497 -1.734 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.609 7.925 -0.588 1.00 0.00 H new ATOM 150 N LEU A 13 2.358 2.853 -3.254 1.00 0.00 N ATOM 151 CA LEU A 13 2.350 1.420 -2.982 1.00 0.00 C ATOM 152 C LEU A 13 3.049 0.649 -4.097 1.00 0.00 C ATOM 153 O LEU A 13 3.783 -0.304 -3.842 1.00 0.00 O ATOM 154 CB LEU A 13 0.914 0.919 -2.823 1.00 0.00 C ATOM 155 CG LEU A 13 0.180 1.373 -1.560 1.00 0.00 C ATOM 156 CD1 LEU A 13 -1.254 0.868 -1.565 1.00 0.00 C ATOM 157 CD2 LEU A 13 0.913 0.892 -0.316 1.00 0.00 C ATOM 0 H LEU A 13 1.507 3.203 -3.693 1.00 0.00 H new ATOM 0 HA LEU A 13 2.893 1.249 -2.052 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.339 1.244 -3.690 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.927 -0.171 -2.840 1.00 0.00 H new ATOM 0 HG LEU A 13 0.159 2.463 -1.547 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.760 1.201 -0.659 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.775 1.262 -2.437 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.256 -0.221 -1.602 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.377 1.224 0.573 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.966 -0.197 -0.323 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.922 1.304 -0.306 1.00 0.00 H new ATOM 169 N GLY A 14 2.816 1.072 -5.337 1.00 0.00 N ATOM 170 CA GLY A 14 3.432 0.412 -6.473 1.00 0.00 C ATOM 171 C GLY A 14 2.493 -0.561 -7.158 1.00 0.00 C ATOM 172 O GLY A 14 2.926 -1.581 -7.693 1.00 0.00 O ATOM 0 H GLY A 14 2.212 1.859 -5.574 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.759 1.163 -7.192 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.323 -0.121 -6.140 1.00 0.00 H new ATOM 176 N VAL A 15 1.201 -0.245 -7.141 1.00 0.00 N ATOM 177 CA VAL A 15 0.197 -1.099 -7.764 1.00 0.00 C ATOM 178 C VAL A 15 -0.528 -0.365 -8.886 1.00 0.00 C ATOM 179 O VAL A 15 -0.650 0.861 -8.882 1.00 0.00 O ATOM 180 CB VAL A 15 -0.837 -1.593 -6.736 1.00 0.00 C ATOM 181 CG1 VAL A 15 -0.262 -2.730 -5.904 1.00 0.00 C ATOM 182 CG2 VAL A 15 -1.291 -0.447 -5.845 1.00 0.00 C ATOM 0 H VAL A 15 0.826 0.596 -6.703 1.00 0.00 H new ATOM 0 HA VAL A 15 0.725 -1.958 -8.177 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.706 -1.972 -7.274 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.007 -3.066 -5.183 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.009 -3.558 -6.558 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.624 -2.381 -5.374 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.022 -0.814 -5.124 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.432 -0.037 -5.314 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.745 0.332 -6.457 1.00 0.00 H new ATOM 192 N PRO A 16 -1.024 -1.129 -9.870 1.00 0.00 N ATOM 193 CA PRO A 16 -1.748 -0.572 -11.017 1.00 0.00 C ATOM 194 C PRO A 16 -3.114 -0.019 -10.627 1.00 0.00 C ATOM 195 O PRO A 16 -3.667 -0.377 -9.587 1.00 0.00 O ATOM 196 CB PRO A 16 -1.905 -1.773 -11.954 1.00 0.00 C ATOM 197 CG PRO A 16 -1.852 -2.962 -11.058 1.00 0.00 C ATOM 198 CD PRO A 16 -0.916 -2.596 -9.940 1.00 0.00 C ATOM 0 HA PRO A 16 -1.218 0.269 -11.464 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -2.848 -1.730 -12.499 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.109 -1.802 -12.698 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.843 -3.206 -10.674 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.494 -3.840 -11.595 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.209 -3.066 -9.001 1.00 0.00 H new ATOM 0 HD3 PRO A 16 0.105 -2.914 -10.151 1.00 0.00 H new ATOM 206 N LYS A 17 -3.654 0.857 -11.467 1.00 0.00 N ATOM 207 CA LYS A 17 -4.957 1.460 -11.212 1.00 0.00 C ATOM 208 C LYS A 17 -6.043 0.393 -11.129 1.00 0.00 C ATOM 209 O LYS A 17 -7.042 0.563 -10.430 1.00 0.00 O ATOM 210 CB LYS A 17 -5.300 2.468 -12.311 1.00 0.00 C ATOM 211 CG LYS A 17 -4.432 3.715 -12.286 1.00 0.00 C ATOM 212 CD LYS A 17 -3.101 3.482 -12.981 1.00 0.00 C ATOM 213 CE LYS A 17 -2.407 4.795 -13.310 1.00 0.00 C ATOM 214 NZ LYS A 17 -2.954 5.417 -14.547 1.00 0.00 N ATOM 0 H LYS A 17 -3.209 1.166 -12.331 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.908 1.979 -10.255 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.197 1.983 -13.282 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.345 2.761 -12.210 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.959 4.536 -12.773 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.256 4.017 -11.253 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.456 2.879 -12.342 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.262 2.915 -13.898 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.522 5.486 -12.475 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -1.338 4.620 -13.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.455 6.309 -14.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.821 4.769 -15.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.968 5.608 -14.420 1.00 0.00 H new ATOM 228 N SER A 18 -5.841 -0.708 -11.847 1.00 0.00 N ATOM 229 CA SER A 18 -6.805 -1.802 -11.856 1.00 0.00 C ATOM 230 C SER A 18 -6.363 -2.923 -10.921 1.00 0.00 C ATOM 231 O SER A 18 -6.850 -4.050 -11.012 1.00 0.00 O ATOM 232 CB SER A 18 -6.979 -2.345 -13.276 1.00 0.00 C ATOM 233 OG SER A 18 -8.280 -2.872 -13.464 1.00 0.00 O ATOM 0 H SER A 18 -5.019 -0.866 -12.430 1.00 0.00 H new ATOM 0 HA SER A 18 -7.761 -1.414 -11.503 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.798 -1.549 -13.998 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.238 -3.121 -13.465 1.00 0.00 H new ATOM 0 HG SER A 18 -8.366 -3.211 -14.379 1.00 0.00 H new ATOM 239 N ALA A 19 -5.437 -2.606 -10.023 1.00 0.00 N ATOM 240 CA ALA A 19 -4.930 -3.584 -9.069 1.00 0.00 C ATOM 241 C ALA A 19 -6.051 -4.126 -8.189 1.00 0.00 C ATOM 242 O ALA A 19 -6.951 -3.387 -7.789 1.00 0.00 O ATOM 243 CB ALA A 19 -3.834 -2.968 -8.212 1.00 0.00 C ATOM 0 H ALA A 19 -5.022 -1.678 -9.936 1.00 0.00 H new ATOM 0 HA ALA A 19 -4.510 -4.418 -9.631 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.465 -3.710 -7.504 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.015 -2.637 -8.851 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.236 -2.114 -7.666 1.00 0.00 H new ATOM 249 N SER A 20 -5.992 -5.420 -7.892 1.00 0.00 N ATOM 250 CA SER A 20 -7.005 -6.061 -7.063 1.00 0.00 C ATOM 251 C SER A 20 -6.683 -5.891 -5.582 1.00 0.00 C ATOM 252 O SER A 20 -5.537 -5.636 -5.211 1.00 0.00 O ATOM 253 CB SER A 20 -7.109 -7.549 -7.406 1.00 0.00 C ATOM 254 OG SER A 20 -8.364 -8.077 -7.013 1.00 0.00 O ATOM 0 H SER A 20 -5.253 -6.045 -8.213 1.00 0.00 H new ATOM 0 HA SER A 20 -7.962 -5.580 -7.266 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.972 -7.689 -8.478 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.309 -8.097 -6.908 1.00 0.00 H new ATOM 0 HG SER A 20 -8.406 -9.028 -7.245 1.00 0.00 H new ATOM 260 N GLU A 21 -7.702 -6.034 -4.740 1.00 0.00 N ATOM 261 CA GLU A 21 -7.527 -5.895 -3.299 1.00 0.00 C ATOM 262 C GLU A 21 -6.344 -6.726 -2.812 1.00 0.00 C ATOM 263 O GLU A 21 -5.520 -6.253 -2.029 1.00 0.00 O ATOM 264 CB GLU A 21 -8.801 -6.321 -2.565 1.00 0.00 C ATOM 265 CG GLU A 21 -8.603 -6.527 -1.073 1.00 0.00 C ATOM 266 CD GLU A 21 -9.747 -7.288 -0.433 1.00 0.00 C ATOM 267 OE1 GLU A 21 -10.890 -6.785 -0.470 1.00 0.00 O ATOM 268 OE2 GLU A 21 -9.500 -8.388 0.105 1.00 0.00 O ATOM 0 H GLU A 21 -8.656 -6.246 -5.031 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.325 -4.846 -3.083 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.570 -5.564 -2.720 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.172 -7.247 -3.005 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.672 -7.069 -0.905 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.500 -5.557 -0.587 1.00 0.00 H new ATOM 275 N ARG A 22 -6.268 -7.968 -3.280 1.00 0.00 N ATOM 276 CA ARG A 22 -5.188 -8.866 -2.891 1.00 0.00 C ATOM 277 C ARG A 22 -3.842 -8.346 -3.387 1.00 0.00 C ATOM 278 O ARG A 22 -2.804 -8.603 -2.779 1.00 0.00 O ATOM 279 CB ARG A 22 -5.439 -10.270 -3.445 1.00 0.00 C ATOM 280 CG ARG A 22 -4.296 -11.239 -3.190 1.00 0.00 C ATOM 281 CD ARG A 22 -4.736 -12.682 -3.381 1.00 0.00 C ATOM 282 NE ARG A 22 -5.762 -13.074 -2.419 1.00 0.00 N ATOM 283 CZ ARG A 22 -6.011 -14.334 -2.082 1.00 0.00 C ATOM 284 NH1 ARG A 22 -5.311 -15.320 -2.626 1.00 0.00 N ATOM 285 NH2 ARG A 22 -6.962 -14.611 -1.199 1.00 0.00 N ATOM 0 H ARG A 22 -6.942 -8.375 -3.929 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.162 -8.911 -1.802 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -6.350 -10.670 -2.999 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.614 -10.202 -4.519 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -3.471 -11.016 -3.867 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -3.922 -11.103 -2.175 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -5.119 -12.813 -4.393 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -3.873 -13.340 -3.279 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.318 -12.339 -1.982 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -4.579 -15.112 -3.305 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -5.504 -16.287 -2.365 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -7.503 -13.856 -0.778 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -7.152 -15.579 -0.941 1.00 0.00 H new ATOM 299 N GLN A 23 -3.870 -7.613 -4.496 1.00 0.00 N ATOM 300 CA GLN A 23 -2.652 -7.058 -5.074 1.00 0.00 C ATOM 301 C GLN A 23 -2.183 -5.838 -4.287 1.00 0.00 C ATOM 302 O GLN A 23 -0.983 -5.591 -4.164 1.00 0.00 O ATOM 303 CB GLN A 23 -2.884 -6.677 -6.537 1.00 0.00 C ATOM 304 CG GLN A 23 -3.162 -7.868 -7.440 1.00 0.00 C ATOM 305 CD GLN A 23 -1.895 -8.491 -7.990 1.00 0.00 C ATOM 306 OE1 GLN A 23 -1.302 -9.373 -7.368 1.00 0.00 O ATOM 307 NE2 GLN A 23 -1.473 -8.036 -9.164 1.00 0.00 N ATOM 0 H GLN A 23 -4.722 -7.390 -5.011 1.00 0.00 H new ATOM 0 HA GLN A 23 -1.875 -7.821 -5.023 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -3.724 -5.984 -6.594 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -2.007 -6.147 -6.909 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -3.719 -8.620 -6.882 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -3.796 -7.551 -8.268 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -1.996 -7.304 -9.645 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -0.626 -8.419 -9.585 1.00 0.00 H new ATOM 316 N ILE A 24 -3.136 -5.080 -3.757 1.00 0.00 N ATOM 317 CA ILE A 24 -2.820 -3.887 -2.982 1.00 0.00 C ATOM 318 C ILE A 24 -2.217 -4.254 -1.630 1.00 0.00 C ATOM 319 O ILE A 24 -1.109 -3.832 -1.297 1.00 0.00 O ATOM 320 CB ILE A 24 -4.069 -3.015 -2.755 1.00 0.00 C ATOM 321 CG1 ILE A 24 -4.637 -2.541 -4.094 1.00 0.00 C ATOM 322 CG2 ILE A 24 -3.732 -1.827 -1.866 1.00 0.00 C ATOM 323 CD1 ILE A 24 -6.133 -2.318 -4.070 1.00 0.00 C ATOM 0 H ILE A 24 -4.134 -5.271 -3.850 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.091 -3.319 -3.560 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.827 -3.616 -2.252 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.144 -1.612 -4.380 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.400 -3.278 -4.861 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.625 -1.221 -1.715 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.369 -2.185 -0.902 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -2.960 -1.223 -2.343 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -6.467 -1.983 -5.052 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.636 -3.251 -3.814 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.376 -1.559 -3.326 1.00 0.00 H new ATOM 335 N LYS A 25 -2.952 -5.044 -0.855 1.00 0.00 N ATOM 336 CA LYS A 25 -2.490 -5.471 0.460 1.00 0.00 C ATOM 337 C LYS A 25 -1.117 -6.130 0.367 1.00 0.00 C ATOM 338 O LYS A 25 -0.237 -5.874 1.189 1.00 0.00 O ATOM 339 CB LYS A 25 -3.493 -6.445 1.084 1.00 0.00 C ATOM 340 CG LYS A 25 -3.556 -7.788 0.378 1.00 0.00 C ATOM 341 CD LYS A 25 -4.460 -8.763 1.115 1.00 0.00 C ATOM 342 CE LYS A 25 -4.249 -10.190 0.633 1.00 0.00 C ATOM 343 NZ LYS A 25 -3.195 -10.891 1.418 1.00 0.00 N ATOM 0 H LYS A 25 -3.871 -5.402 -1.115 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.408 -4.588 1.093 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.229 -6.605 2.129 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -4.484 -5.991 1.072 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.922 -7.649 -0.639 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.553 -8.207 0.301 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.263 -8.706 2.185 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -5.502 -8.478 0.967 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -5.186 -10.741 0.710 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.971 -10.180 -0.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.081 -11.860 1.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.294 -10.379 1.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.472 -10.924 2.420 1.00 0.00 H new ATOM 357 N LYS A 26 -0.940 -6.977 -0.641 1.00 0.00 N ATOM 358 CA LYS A 26 0.327 -7.671 -0.844 1.00 0.00 C ATOM 359 C LYS A 26 1.449 -6.680 -1.134 1.00 0.00 C ATOM 360 O LYS A 26 2.492 -6.701 -0.482 1.00 0.00 O ATOM 361 CB LYS A 26 0.205 -8.671 -1.996 1.00 0.00 C ATOM 362 CG LYS A 26 -0.403 -10.001 -1.585 1.00 0.00 C ATOM 363 CD LYS A 26 0.029 -11.123 -2.515 1.00 0.00 C ATOM 364 CE LYS A 26 -0.933 -11.280 -3.683 1.00 0.00 C ATOM 365 NZ LYS A 26 -0.256 -11.834 -4.888 1.00 0.00 N ATOM 0 H LYS A 26 -1.658 -7.200 -1.331 1.00 0.00 H new ATOM 0 HA LYS A 26 0.569 -8.209 0.072 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.405 -8.231 -2.785 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.194 -8.848 -2.419 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.105 -10.238 -0.564 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.490 -9.922 -1.589 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.031 -10.919 -2.892 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.083 -12.058 -1.958 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.753 -11.937 -3.393 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -1.371 -10.312 -3.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -0.945 -11.926 -5.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.510 -11.194 -5.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 0.140 -12.769 -4.664 1.00 0.00 H new ATOM 379 N ALA A 27 1.227 -5.812 -2.116 1.00 0.00 N ATOM 380 CA ALA A 27 2.218 -4.811 -2.489 1.00 0.00 C ATOM 381 C ALA A 27 2.541 -3.893 -1.315 1.00 0.00 C ATOM 382 O ALA A 27 3.686 -3.477 -1.136 1.00 0.00 O ATOM 383 CB ALA A 27 1.726 -3.997 -3.677 1.00 0.00 C ATOM 0 H ALA A 27 0.369 -5.782 -2.667 1.00 0.00 H new ATOM 0 HA ALA A 27 3.133 -5.331 -2.772 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.477 -3.253 -3.944 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.553 -4.659 -4.525 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.795 -3.495 -3.413 1.00 0.00 H new ATOM 389 N PHE A 28 1.525 -3.581 -0.517 1.00 0.00 N ATOM 390 CA PHE A 28 1.701 -2.710 0.640 1.00 0.00 C ATOM 391 C PHE A 28 2.485 -3.420 1.740 1.00 0.00 C ATOM 392 O PHE A 28 3.448 -2.876 2.281 1.00 0.00 O ATOM 393 CB PHE A 28 0.341 -2.259 1.177 1.00 0.00 C ATOM 394 CG PHE A 28 0.424 -1.551 2.499 1.00 0.00 C ATOM 395 CD1 PHE A 28 1.475 -0.693 2.775 1.00 0.00 C ATOM 396 CD2 PHE A 28 -0.551 -1.745 3.465 1.00 0.00 C ATOM 397 CE1 PHE A 28 1.554 -0.039 3.991 1.00 0.00 C ATOM 398 CE2 PHE A 28 -0.477 -1.094 4.682 1.00 0.00 C ATOM 399 CZ PHE A 28 0.577 -0.241 4.945 1.00 0.00 C ATOM 0 H PHE A 28 0.572 -3.918 -0.650 1.00 0.00 H new ATOM 0 HA PHE A 28 2.267 -1.834 0.322 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -0.127 -1.597 0.448 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -0.307 -3.129 1.280 1.00 0.00 H new ATOM 0 HD1 PHE A 28 2.242 -0.533 2.032 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.377 -2.412 3.265 1.00 0.00 H new ATOM 0 HE1 PHE A 28 2.378 0.628 4.194 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -1.243 -1.252 5.427 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.637 0.267 5.896 1.00 0.00 H new ATOM 409 N HIS A 29 2.065 -4.638 2.066 1.00 0.00 N ATOM 410 CA HIS A 29 2.727 -5.424 3.101 1.00 0.00 C ATOM 411 C HIS A 29 4.243 -5.370 2.939 1.00 0.00 C ATOM 412 O HIS A 29 4.954 -4.866 3.808 1.00 0.00 O ATOM 413 CB HIS A 29 2.249 -6.875 3.055 1.00 0.00 C ATOM 414 CG HIS A 29 0.964 -7.107 3.789 1.00 0.00 C ATOM 415 ND1 HIS A 29 0.739 -8.213 4.581 1.00 0.00 N ATOM 416 CD2 HIS A 29 -0.167 -6.365 3.850 1.00 0.00 C ATOM 417 CE1 HIS A 29 -0.476 -8.143 5.096 1.00 0.00 C ATOM 418 NE2 HIS A 29 -1.046 -7.031 4.668 1.00 0.00 N ATOM 0 H HIS A 29 1.269 -5.102 1.628 1.00 0.00 H new ATOM 0 HA HIS A 29 2.467 -4.995 4.069 1.00 0.00 H new ATOM 0 HB2 HIS A 29 2.122 -7.174 2.015 1.00 0.00 H new ATOM 0 HB3 HIS A 29 3.021 -7.517 3.480 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -0.345 -5.425 3.349 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -0.926 -8.871 5.755 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -1.987 -6.718 4.907 1.00 0.00 H new ATOM 426 N LYS A 30 4.732 -5.892 1.819 1.00 0.00 N ATOM 427 CA LYS A 30 6.163 -5.904 1.541 1.00 0.00 C ATOM 428 C LYS A 30 6.782 -4.538 1.817 1.00 0.00 C ATOM 429 O LYS A 30 7.863 -4.441 2.400 1.00 0.00 O ATOM 430 CB LYS A 30 6.417 -6.306 0.086 1.00 0.00 C ATOM 431 CG LYS A 30 5.545 -5.563 -0.912 1.00 0.00 C ATOM 432 CD LYS A 30 6.011 -5.794 -2.339 1.00 0.00 C ATOM 433 CE LYS A 30 5.433 -7.078 -2.914 1.00 0.00 C ATOM 434 NZ LYS A 30 6.102 -7.467 -4.186 1.00 0.00 N ATOM 0 H LYS A 30 4.157 -6.313 1.089 1.00 0.00 H new ATOM 0 HA LYS A 30 6.630 -6.635 2.201 1.00 0.00 H new ATOM 0 HB2 LYS A 30 7.465 -6.125 -0.154 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.246 -7.377 -0.021 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.511 -5.891 -0.808 1.00 0.00 H new ATOM 0 HG3 LYS A 30 5.564 -4.496 -0.690 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.714 -4.950 -2.961 1.00 0.00 H new ATOM 0 HD3 LYS A 30 7.100 -5.841 -2.364 1.00 0.00 H new ATOM 0 HE2 LYS A 30 5.541 -7.882 -2.186 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.365 -6.948 -3.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.680 -8.347 -4.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.978 -6.711 -4.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.117 -7.616 -4.013 1.00 0.00 H new ATOM 448 N LEU A 31 6.091 -3.484 1.397 1.00 0.00 N ATOM 449 CA LEU A 31 6.572 -2.122 1.601 1.00 0.00 C ATOM 450 C LEU A 31 6.679 -1.799 3.088 1.00 0.00 C ATOM 451 O LEU A 31 7.767 -1.536 3.600 1.00 0.00 O ATOM 452 CB LEU A 31 5.638 -1.122 0.916 1.00 0.00 C ATOM 453 CG LEU A 31 5.702 -1.082 -0.611 1.00 0.00 C ATOM 454 CD1 LEU A 31 4.570 -0.233 -1.170 1.00 0.00 C ATOM 455 CD2 LEU A 31 7.050 -0.550 -1.075 1.00 0.00 C ATOM 0 H LEU A 31 5.195 -3.546 0.913 1.00 0.00 H new ATOM 0 HA LEU A 31 7.565 -2.044 1.159 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.614 -1.351 1.211 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.864 -0.125 1.295 1.00 0.00 H new ATOM 0 HG LEU A 31 5.587 -2.098 -0.987 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.631 -0.216 -2.258 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.613 -0.658 -0.867 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.654 0.784 -0.786 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.077 -0.529 -2.164 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.196 0.459 -0.689 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.844 -1.198 -0.705 1.00 0.00 H new ATOM 467 N ALA A 32 5.542 -1.823 3.777 1.00 0.00 N ATOM 468 CA ALA A 32 5.509 -1.537 5.206 1.00 0.00 C ATOM 469 C ALA A 32 6.718 -2.138 5.914 1.00 0.00 C ATOM 470 O ALA A 32 7.239 -1.562 6.869 1.00 0.00 O ATOM 471 CB ALA A 32 4.220 -2.064 5.819 1.00 0.00 C ATOM 0 H ALA A 32 4.632 -2.037 3.368 1.00 0.00 H new ATOM 0 HA ALA A 32 5.545 -0.455 5.336 1.00 0.00 H new ATOM 0 HB1 ALA A 32 4.208 -1.844 6.886 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.367 -1.584 5.340 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.161 -3.142 5.670 1.00 0.00 H new ATOM 477 N MET A 33 7.160 -3.298 5.440 1.00 0.00 N ATOM 478 CA MET A 33 8.310 -3.975 6.029 1.00 0.00 C ATOM 479 C MET A 33 9.600 -3.220 5.725 1.00 0.00 C ATOM 480 O MET A 33 10.469 -3.084 6.587 1.00 0.00 O ATOM 481 CB MET A 33 8.408 -5.409 5.503 1.00 0.00 C ATOM 482 CG MET A 33 7.167 -6.243 5.776 1.00 0.00 C ATOM 483 SD MET A 33 6.686 -6.222 7.514 1.00 0.00 S ATOM 484 CE MET A 33 4.989 -6.786 7.402 1.00 0.00 C ATOM 0 H MET A 33 6.740 -3.789 4.651 1.00 0.00 H new ATOM 0 HA MET A 33 8.171 -4.000 7.110 1.00 0.00 H new ATOM 0 HB2 MET A 33 8.588 -5.381 4.428 1.00 0.00 H new ATOM 0 HB3 MET A 33 9.270 -5.896 5.958 1.00 0.00 H new ATOM 0 HG2 MET A 33 6.342 -5.869 5.170 1.00 0.00 H new ATOM 0 HG3 MET A 33 7.350 -7.272 5.466 1.00 0.00 H new ATOM 0 HE1 MET A 33 4.552 -6.826 8.400 1.00 0.00 H new ATOM 0 HE2 MET A 33 4.416 -6.096 6.783 1.00 0.00 H new ATOM 0 HE3 MET A 33 4.965 -7.780 6.955 1.00 0.00 H new ATOM 494 N LYS A 34 9.720 -2.732 4.495 1.00 0.00 N ATOM 495 CA LYS A 34 10.903 -1.990 4.078 1.00 0.00 C ATOM 496 C LYS A 34 10.975 -0.639 4.783 1.00 0.00 C ATOM 497 O LYS A 34 12.058 -0.085 4.973 1.00 0.00 O ATOM 498 CB LYS A 34 10.893 -1.786 2.561 1.00 0.00 C ATOM 499 CG LYS A 34 12.173 -1.170 2.022 1.00 0.00 C ATOM 500 CD LYS A 34 11.984 -0.636 0.612 1.00 0.00 C ATOM 501 CE LYS A 34 12.908 0.540 0.333 1.00 0.00 C ATOM 502 NZ LYS A 34 14.214 0.097 -0.229 1.00 0.00 N ATOM 0 H LYS A 34 9.011 -2.837 3.769 1.00 0.00 H new ATOM 0 HA LYS A 34 11.782 -2.571 4.355 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.729 -2.748 2.075 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.051 -1.147 2.294 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.493 -0.361 2.679 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.967 -1.917 2.026 1.00 0.00 H new ATOM 0 HD2 LYS A 34 12.177 -1.431 -0.108 1.00 0.00 H new ATOM 0 HD3 LYS A 34 10.948 -0.327 0.475 1.00 0.00 H new ATOM 0 HE2 LYS A 34 12.425 1.224 -0.365 1.00 0.00 H new ATOM 0 HE3 LYS A 34 13.079 1.095 1.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 14.815 0.927 -0.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 14.687 -0.535 0.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 14.053 -0.410 -1.123 1.00 0.00 H new ATOM 516 N TYR A 35 9.817 -0.116 5.169 1.00 0.00 N ATOM 517 CA TYR A 35 9.749 1.170 5.853 1.00 0.00 C ATOM 518 C TYR A 35 9.079 1.028 7.216 1.00 0.00 C ATOM 519 O TYR A 35 8.532 1.990 7.755 1.00 0.00 O ATOM 520 CB TYR A 35 8.985 2.184 5.000 1.00 0.00 C ATOM 521 CG TYR A 35 9.666 2.510 3.690 1.00 0.00 C ATOM 522 CD1 TYR A 35 9.421 1.754 2.550 1.00 0.00 C ATOM 523 CD2 TYR A 35 10.554 3.574 3.592 1.00 0.00 C ATOM 524 CE1 TYR A 35 10.042 2.048 1.352 1.00 0.00 C ATOM 525 CE2 TYR A 35 11.179 3.875 2.397 1.00 0.00 C ATOM 526 CZ TYR A 35 10.919 3.109 1.280 1.00 0.00 C ATOM 527 OH TYR A 35 11.539 3.406 0.088 1.00 0.00 O ATOM 0 H TYR A 35 8.912 -0.563 5.020 1.00 0.00 H new ATOM 0 HA TYR A 35 10.768 1.526 6.005 1.00 0.00 H new ATOM 0 HB2 TYR A 35 7.988 1.795 4.794 1.00 0.00 H new ATOM 0 HB3 TYR A 35 8.857 3.103 5.572 1.00 0.00 H new ATOM 0 HD1 TYR A 35 8.734 0.923 2.602 1.00 0.00 H new ATOM 0 HD2 TYR A 35 10.759 4.176 4.465 1.00 0.00 H new ATOM 0 HE1 TYR A 35 9.841 1.449 0.476 1.00 0.00 H new ATOM 0 HE2 TYR A 35 11.867 4.705 2.338 1.00 0.00 H new ATOM 0 HH TYR A 35 12.124 4.183 0.208 1.00 0.00 H new ATOM 537 N HIS A 36 9.128 -0.180 7.769 1.00 0.00 N ATOM 538 CA HIS A 36 8.528 -0.450 9.070 1.00 0.00 C ATOM 539 C HIS A 36 9.262 0.306 10.174 1.00 0.00 C ATOM 540 O HIS A 36 10.476 0.187 10.340 1.00 0.00 O ATOM 541 CB HIS A 36 8.548 -1.951 9.364 1.00 0.00 C ATOM 542 CG HIS A 36 7.423 -2.404 10.243 1.00 0.00 C ATOM 543 ND1 HIS A 36 7.102 -1.786 11.433 1.00 0.00 N ATOM 544 CD2 HIS A 36 6.542 -3.421 10.099 1.00 0.00 C ATOM 545 CE1 HIS A 36 6.073 -2.404 11.984 1.00 0.00 C ATOM 546 NE2 HIS A 36 5.713 -3.399 11.194 1.00 0.00 N ATOM 0 H HIS A 36 9.577 -0.987 7.336 1.00 0.00 H new ATOM 0 HA HIS A 36 7.494 -0.107 9.043 1.00 0.00 H new ATOM 0 HB2 HIS A 36 8.505 -2.498 8.422 1.00 0.00 H new ATOM 0 HB3 HIS A 36 9.495 -2.207 9.839 1.00 0.00 H new ATOM 0 HD2 HIS A 36 6.499 -4.120 9.277 1.00 0.00 H new ATOM 0 HE1 HIS A 36 5.606 -2.140 12.921 1.00 0.00 H new ATOM 0 HE2 HIS A 36 4.944 -4.046 11.369 1.00 0.00 H new ATOM 554 N PRO A 37 8.509 1.102 10.948 1.00 0.00 N ATOM 555 CA PRO A 37 9.067 1.893 12.049 1.00 0.00 C ATOM 556 C PRO A 37 9.520 1.023 13.216 1.00 0.00 C ATOM 557 O PRO A 37 9.999 1.529 14.231 1.00 0.00 O ATOM 558 CB PRO A 37 7.899 2.788 12.471 1.00 0.00 C ATOM 559 CG PRO A 37 6.679 2.038 12.058 1.00 0.00 C ATOM 560 CD PRO A 37 7.055 1.291 10.808 1.00 0.00 C ATOM 0 HA PRO A 37 9.956 2.445 11.744 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.907 2.969 13.546 1.00 0.00 H new ATOM 0 HB3 PRO A 37 7.950 3.761 11.983 1.00 0.00 H new ATOM 0 HG2 PRO A 37 6.359 1.351 12.842 1.00 0.00 H new ATOM 0 HG3 PRO A 37 5.848 2.718 11.871 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.531 0.338 10.736 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.808 1.859 9.911 1.00 0.00 H new ATOM 568 N ASP A 38 9.366 -0.288 13.065 1.00 0.00 N ATOM 569 CA ASP A 38 9.761 -1.229 14.107 1.00 0.00 C ATOM 570 C ASP A 38 11.062 -1.935 13.737 1.00 0.00 C ATOM 571 O ASP A 38 11.945 -2.113 14.576 1.00 0.00 O ATOM 572 CB ASP A 38 8.655 -2.260 14.339 1.00 0.00 C ATOM 573 CG ASP A 38 8.922 -3.133 15.549 1.00 0.00 C ATOM 574 OD1 ASP A 38 9.361 -2.592 16.586 1.00 0.00 O ATOM 575 OD2 ASP A 38 8.693 -4.357 15.460 1.00 0.00 O ATOM 0 H ASP A 38 8.971 -0.723 12.231 1.00 0.00 H new ATOM 0 HA ASP A 38 9.922 -0.667 15.027 1.00 0.00 H new ATOM 0 HB2 ASP A 38 7.703 -1.745 14.469 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.558 -2.890 13.455 1.00 0.00 H new ATOM 580 N LYS A 39 11.172 -2.337 12.475 1.00 0.00 N ATOM 581 CA LYS A 39 12.364 -3.023 11.992 1.00 0.00 C ATOM 582 C LYS A 39 13.399 -2.025 11.482 1.00 0.00 C ATOM 583 O LYS A 39 14.601 -2.225 11.645 1.00 0.00 O ATOM 584 CB LYS A 39 11.996 -4.006 10.878 1.00 0.00 C ATOM 585 CG LYS A 39 10.963 -5.038 11.295 1.00 0.00 C ATOM 586 CD LYS A 39 11.602 -6.197 12.041 1.00 0.00 C ATOM 587 CE LYS A 39 12.365 -7.115 11.098 1.00 0.00 C ATOM 588 NZ LYS A 39 12.966 -8.273 11.817 1.00 0.00 N ATOM 0 H LYS A 39 10.449 -2.199 11.768 1.00 0.00 H new ATOM 0 HA LYS A 39 12.798 -3.574 12.826 1.00 0.00 H new ATOM 0 HB2 LYS A 39 11.615 -3.447 10.023 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.898 -4.520 10.546 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.212 -4.567 11.928 1.00 0.00 H new ATOM 0 HG3 LYS A 39 10.446 -5.413 10.412 1.00 0.00 H new ATOM 0 HD2 LYS A 39 12.280 -5.811 12.802 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.831 -6.766 12.560 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.692 -7.479 10.322 1.00 0.00 H new ATOM 0 HE3 LYS A 39 13.152 -6.550 10.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.477 -8.875 11.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.628 -7.927 12.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.213 -8.827 12.273 1.00 0.00 H new ATOM 602 N ASN A 40 12.921 -0.949 10.865 1.00 0.00 N ATOM 603 CA ASN A 40 13.805 0.082 10.332 1.00 0.00 C ATOM 604 C ASN A 40 14.284 1.014 11.440 1.00 0.00 C ATOM 605 O ASN A 40 13.508 1.800 11.985 1.00 0.00 O ATOM 606 CB ASN A 40 13.088 0.887 9.247 1.00 0.00 C ATOM 607 CG ASN A 40 14.053 1.647 8.358 1.00 0.00 C ATOM 608 OD1 ASN A 40 15.163 1.982 8.771 1.00 0.00 O ATOM 609 ND2 ASN A 40 13.632 1.924 7.129 1.00 0.00 N ATOM 0 H ASN A 40 11.927 -0.768 10.722 1.00 0.00 H new ATOM 0 HA ASN A 40 14.674 -0.410 9.895 1.00 0.00 H new ATOM 0 HB2 ASN A 40 12.488 0.213 8.635 1.00 0.00 H new ATOM 0 HB3 ASN A 40 12.399 1.590 9.715 1.00 0.00 H new ATOM 0 HD21 ASN A 40 14.237 2.434 6.485 1.00 0.00 H new ATOM 0 HD22 ASN A 40 12.704 1.627 6.829 1.00 0.00 H new ATOM 616 N LYS A 41 15.568 0.922 11.770 1.00 0.00 N ATOM 617 CA LYS A 41 16.153 1.757 12.811 1.00 0.00 C ATOM 618 C LYS A 41 16.517 3.134 12.265 1.00 0.00 C ATOM 619 O LYS A 41 17.589 3.664 12.555 1.00 0.00 O ATOM 620 CB LYS A 41 17.397 1.084 13.395 1.00 0.00 C ATOM 621 CG LYS A 41 17.087 0.074 14.486 1.00 0.00 C ATOM 622 CD LYS A 41 16.400 -1.160 13.925 1.00 0.00 C ATOM 623 CE LYS A 41 17.400 -2.117 13.295 1.00 0.00 C ATOM 624 NZ LYS A 41 18.082 -2.958 14.317 1.00 0.00 N ATOM 0 H LYS A 41 16.224 0.276 11.330 1.00 0.00 H new ATOM 0 HA LYS A 41 15.411 1.883 13.599 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.940 0.584 12.593 1.00 0.00 H new ATOM 0 HB3 LYS A 41 18.059 1.850 13.798 1.00 0.00 H new ATOM 0 HG2 LYS A 41 18.011 -0.218 14.986 1.00 0.00 H new ATOM 0 HG3 LYS A 41 16.449 0.536 15.240 1.00 0.00 H new ATOM 0 HD2 LYS A 41 15.859 -1.670 14.722 1.00 0.00 H new ATOM 0 HD3 LYS A 41 15.663 -0.860 13.180 1.00 0.00 H new ATOM 0 HE2 LYS A 41 16.887 -2.760 12.580 1.00 0.00 H new ATOM 0 HE3 LYS A 41 18.144 -1.549 12.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 18.755 -3.597 13.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 18.593 -2.346 14.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 17.375 -3.519 14.833 1.00 0.00 H new ATOM 638 N SER A 42 15.616 3.708 11.473 1.00 0.00 N ATOM 639 CA SER A 42 15.843 5.023 10.884 1.00 0.00 C ATOM 640 C SER A 42 14.628 5.924 11.081 1.00 0.00 C ATOM 641 O SER A 42 13.481 5.479 11.041 1.00 0.00 O ATOM 642 CB SER A 42 16.157 4.889 9.393 1.00 0.00 C ATOM 643 OG SER A 42 17.466 4.386 9.190 1.00 0.00 O ATOM 0 H SER A 42 14.723 3.283 11.225 1.00 0.00 H new ATOM 0 HA SER A 42 16.696 5.478 11.388 1.00 0.00 H new ATOM 0 HB2 SER A 42 15.432 4.224 8.924 1.00 0.00 H new ATOM 0 HB3 SER A 42 16.058 5.861 8.909 1.00 0.00 H new ATOM 0 HG SER A 42 17.641 4.308 8.229 1.00 0.00 H new ATOM 649 N PRO A 43 14.885 7.222 11.300 1.00 0.00 N ATOM 650 CA PRO A 43 13.826 8.214 11.508 1.00 0.00 C ATOM 651 C PRO A 43 13.028 8.485 10.237 1.00 0.00 C ATOM 652 O PRO A 43 11.798 8.520 10.260 1.00 0.00 O ATOM 653 CB PRO A 43 14.593 9.468 11.936 1.00 0.00 C ATOM 654 CG PRO A 43 15.951 9.299 11.348 1.00 0.00 C ATOM 655 CD PRO A 43 16.228 7.821 11.362 1.00 0.00 C ATOM 0 HA PRO A 43 13.091 7.878 12.239 1.00 0.00 H new ATOM 0 HB2 PRO A 43 14.111 10.373 11.566 1.00 0.00 H new ATOM 0 HB3 PRO A 43 14.639 9.553 13.022 1.00 0.00 H new ATOM 0 HG2 PRO A 43 15.988 9.693 10.332 1.00 0.00 H new ATOM 0 HG3 PRO A 43 16.698 9.841 11.928 1.00 0.00 H new ATOM 0 HD2 PRO A 43 16.842 7.519 10.514 1.00 0.00 H new ATOM 0 HD3 PRO A 43 16.761 7.520 12.264 1.00 0.00 H new ATOM 663 N ASP A 44 13.736 8.677 9.129 1.00 0.00 N ATOM 664 CA ASP A 44 13.094 8.944 7.848 1.00 0.00 C ATOM 665 C ASP A 44 12.004 7.915 7.561 1.00 0.00 C ATOM 666 O ASP A 44 10.894 8.267 7.165 1.00 0.00 O ATOM 667 CB ASP A 44 14.130 8.934 6.722 1.00 0.00 C ATOM 668 CG ASP A 44 15.468 9.496 7.162 1.00 0.00 C ATOM 669 OD1 ASP A 44 16.291 8.721 7.692 1.00 0.00 O ATOM 670 OD2 ASP A 44 15.691 10.711 6.976 1.00 0.00 O ATOM 0 H ASP A 44 14.755 8.653 9.093 1.00 0.00 H new ATOM 0 HA ASP A 44 12.633 9.931 7.899 1.00 0.00 H new ATOM 0 HB2 ASP A 44 14.267 7.912 6.367 1.00 0.00 H new ATOM 0 HB3 ASP A 44 13.754 9.516 5.881 1.00 0.00 H new ATOM 675 N ALA A 45 12.331 6.643 7.764 1.00 0.00 N ATOM 676 CA ALA A 45 11.379 5.564 7.529 1.00 0.00 C ATOM 677 C ALA A 45 10.004 5.912 8.089 1.00 0.00 C ATOM 678 O ALA A 45 8.991 5.757 7.410 1.00 0.00 O ATOM 679 CB ALA A 45 11.889 4.268 8.143 1.00 0.00 C ATOM 0 H ALA A 45 13.247 6.335 8.090 1.00 0.00 H new ATOM 0 HA ALA A 45 11.279 5.429 6.452 1.00 0.00 H new ATOM 0 HB1 ALA A 45 11.169 3.471 7.960 1.00 0.00 H new ATOM 0 HB2 ALA A 45 12.845 4.003 7.692 1.00 0.00 H new ATOM 0 HB3 ALA A 45 12.019 4.401 9.217 1.00 0.00 H new ATOM 685 N GLU A 46 9.979 6.382 9.332 1.00 0.00 N ATOM 686 CA GLU A 46 8.727 6.751 9.983 1.00 0.00 C ATOM 687 C GLU A 46 7.857 7.591 9.053 1.00 0.00 C ATOM 688 O GLU A 46 6.654 7.360 8.934 1.00 0.00 O ATOM 689 CB GLU A 46 9.005 7.522 11.275 1.00 0.00 C ATOM 690 CG GLU A 46 7.826 7.553 12.232 1.00 0.00 C ATOM 691 CD GLU A 46 8.232 7.914 13.648 1.00 0.00 C ATOM 692 OE1 GLU A 46 9.013 7.150 14.253 1.00 0.00 O ATOM 693 OE2 GLU A 46 7.770 8.959 14.150 1.00 0.00 O ATOM 0 H GLU A 46 10.810 6.516 9.908 1.00 0.00 H new ATOM 0 HA GLU A 46 8.190 5.834 10.225 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.860 7.072 11.780 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.285 8.545 11.024 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.091 8.274 11.874 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.340 6.577 12.235 1.00 0.00 H new ATOM 700 N ALA A 47 8.475 8.568 8.397 1.00 0.00 N ATOM 701 CA ALA A 47 7.758 9.442 7.476 1.00 0.00 C ATOM 702 C ALA A 47 7.283 8.675 6.247 1.00 0.00 C ATOM 703 O ALA A 47 6.144 8.829 5.808 1.00 0.00 O ATOM 704 CB ALA A 47 8.641 10.610 7.063 1.00 0.00 C ATOM 0 H ALA A 47 9.470 8.774 8.486 1.00 0.00 H new ATOM 0 HA ALA A 47 6.879 9.829 7.991 1.00 0.00 H new ATOM 0 HB1 ALA A 47 8.094 11.255 6.375 1.00 0.00 H new ATOM 0 HB2 ALA A 47 8.926 11.181 7.947 1.00 0.00 H new ATOM 0 HB3 ALA A 47 9.537 10.232 6.571 1.00 0.00 H new ATOM 710 N LYS A 48 8.164 7.847 5.696 1.00 0.00 N ATOM 711 CA LYS A 48 7.836 7.054 4.517 1.00 0.00 C ATOM 712 C LYS A 48 6.576 6.227 4.751 1.00 0.00 C ATOM 713 O LYS A 48 5.598 6.345 4.013 1.00 0.00 O ATOM 714 CB LYS A 48 9.003 6.133 4.155 1.00 0.00 C ATOM 715 CG LYS A 48 10.153 6.849 3.468 1.00 0.00 C ATOM 716 CD LYS A 48 9.958 6.898 1.961 1.00 0.00 C ATOM 717 CE LYS A 48 8.911 7.928 1.568 1.00 0.00 C ATOM 718 NZ LYS A 48 9.122 8.433 0.183 1.00 0.00 N ATOM 0 H LYS A 48 9.111 7.708 6.047 1.00 0.00 H new ATOM 0 HA LYS A 48 7.652 7.739 3.689 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.373 5.656 5.062 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.639 5.339 3.503 1.00 0.00 H new ATOM 0 HG2 LYS A 48 10.237 7.863 3.858 1.00 0.00 H new ATOM 0 HG3 LYS A 48 11.089 6.341 3.698 1.00 0.00 H new ATOM 0 HD2 LYS A 48 10.905 7.138 1.478 1.00 0.00 H new ATOM 0 HD3 LYS A 48 9.656 5.915 1.600 1.00 0.00 H new ATOM 0 HE2 LYS A 48 7.918 7.485 1.646 1.00 0.00 H new ATOM 0 HE3 LYS A 48 8.943 8.763 2.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 8.388 9.133 -0.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 10.059 8.879 0.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.067 7.640 -0.488 1.00 0.00 H new ATOM 732 N PHE A 49 6.605 5.391 5.784 1.00 0.00 N ATOM 733 CA PHE A 49 5.465 4.545 6.116 1.00 0.00 C ATOM 734 C PHE A 49 4.183 5.368 6.201 1.00 0.00 C ATOM 735 O PHE A 49 3.120 4.928 5.762 1.00 0.00 O ATOM 736 CB PHE A 49 5.709 3.822 7.443 1.00 0.00 C ATOM 737 CG PHE A 49 4.610 2.869 7.816 1.00 0.00 C ATOM 738 CD1 PHE A 49 4.289 1.803 6.991 1.00 0.00 C ATOM 739 CD2 PHE A 49 3.898 3.038 8.993 1.00 0.00 C ATOM 740 CE1 PHE A 49 3.278 0.925 7.332 1.00 0.00 C ATOM 741 CE2 PHE A 49 2.886 2.163 9.339 1.00 0.00 C ATOM 742 CZ PHE A 49 2.576 1.104 8.508 1.00 0.00 C ATOM 0 H PHE A 49 7.406 5.282 6.406 1.00 0.00 H new ATOM 0 HA PHE A 49 5.350 3.806 5.323 1.00 0.00 H new ATOM 0 HB2 PHE A 49 6.649 3.274 7.382 1.00 0.00 H new ATOM 0 HB3 PHE A 49 5.822 4.562 8.235 1.00 0.00 H new ATOM 0 HD1 PHE A 49 4.835 1.657 6.071 1.00 0.00 H new ATOM 0 HD2 PHE A 49 4.137 3.863 9.647 1.00 0.00 H new ATOM 0 HE1 PHE A 49 3.037 0.099 6.679 1.00 0.00 H new ATOM 0 HE2 PHE A 49 2.338 2.307 10.258 1.00 0.00 H new ATOM 0 HZ PHE A 49 1.787 0.418 8.777 1.00 0.00 H new ATOM 752 N ARG A 50 4.292 6.565 6.768 1.00 0.00 N ATOM 753 CA ARG A 50 3.142 7.450 6.912 1.00 0.00 C ATOM 754 C ARG A 50 2.435 7.644 5.574 1.00 0.00 C ATOM 755 O ARG A 50 1.248 7.968 5.531 1.00 0.00 O ATOM 756 CB ARG A 50 3.581 8.805 7.470 1.00 0.00 C ATOM 757 CG ARG A 50 2.444 9.611 8.077 1.00 0.00 C ATOM 758 CD ARG A 50 1.895 8.943 9.329 1.00 0.00 C ATOM 759 NE ARG A 50 1.230 9.898 10.211 1.00 0.00 N ATOM 760 CZ ARG A 50 1.860 10.895 10.824 1.00 0.00 C ATOM 761 NH1 ARG A 50 3.163 11.065 10.650 1.00 0.00 N ATOM 762 NH2 ARG A 50 1.186 11.723 11.612 1.00 0.00 N ATOM 0 H ARG A 50 5.165 6.944 7.135 1.00 0.00 H new ATOM 0 HA ARG A 50 2.444 6.987 7.609 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.347 8.645 8.229 1.00 0.00 H new ATOM 0 HB3 ARG A 50 4.041 9.386 6.670 1.00 0.00 H new ATOM 0 HG2 ARG A 50 2.797 10.613 8.322 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.645 9.725 7.344 1.00 0.00 H new ATOM 0 HD2 ARG A 50 1.191 8.161 9.044 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.709 8.458 9.868 1.00 0.00 H new ATOM 0 HE ARG A 50 0.227 9.794 10.365 1.00 0.00 H new ATOM 0 HH11 ARG A 50 3.684 10.430 10.045 1.00 0.00 H new ATOM 0 HH12 ARG A 50 3.645 11.831 11.121 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.183 11.595 11.748 1.00 0.00 H new ATOM 0 HH22 ARG A 50 1.671 12.488 12.082 1.00 0.00 H new ATOM 776 N GLU A 51 3.172 7.444 4.486 1.00 0.00 N ATOM 777 CA GLU A 51 2.614 7.598 3.148 1.00 0.00 C ATOM 778 C GLU A 51 2.185 6.249 2.578 1.00 0.00 C ATOM 779 O GLU A 51 1.259 6.171 1.770 1.00 0.00 O ATOM 780 CB GLU A 51 3.637 8.255 2.218 1.00 0.00 C ATOM 781 CG GLU A 51 3.571 9.773 2.216 1.00 0.00 C ATOM 782 CD GLU A 51 4.561 10.399 1.253 1.00 0.00 C ATOM 783 OE1 GLU A 51 5.682 9.863 1.124 1.00 0.00 O ATOM 784 OE2 GLU A 51 4.216 11.423 0.628 1.00 0.00 O ATOM 0 H GLU A 51 4.156 7.175 4.505 1.00 0.00 H new ATOM 0 HA GLU A 51 1.735 8.238 3.220 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.638 7.944 2.515 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.479 7.891 1.203 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.562 10.089 1.950 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.766 10.143 3.223 1.00 0.00 H new ATOM 791 N ILE A 52 2.865 5.191 3.004 1.00 0.00 N ATOM 792 CA ILE A 52 2.554 3.845 2.537 1.00 0.00 C ATOM 793 C ILE A 52 1.231 3.354 3.116 1.00 0.00 C ATOM 794 O ILE A 52 0.381 2.834 2.394 1.00 0.00 O ATOM 795 CB ILE A 52 3.667 2.848 2.912 1.00 0.00 C ATOM 796 CG1 ILE A 52 5.043 3.474 2.677 1.00 0.00 C ATOM 797 CG2 ILE A 52 3.519 1.564 2.110 1.00 0.00 C ATOM 798 CD1 ILE A 52 6.186 2.496 2.831 1.00 0.00 C ATOM 0 H ILE A 52 3.635 5.239 3.671 1.00 0.00 H new ATOM 0 HA ILE A 52 2.475 3.898 1.451 1.00 0.00 H new ATOM 0 HB ILE A 52 3.576 2.605 3.971 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.073 3.900 1.674 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.183 4.297 3.378 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.312 0.869 2.386 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.550 1.112 2.323 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.588 1.790 1.046 1.00 0.00 H new ATOM 0 HD11 ILE A 52 7.131 3.009 2.650 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.182 2.088 3.842 1.00 0.00 H new ATOM 0 HD13 ILE A 52 6.070 1.685 2.112 1.00 0.00 H new ATOM 810 N ALA A 53 1.064 3.525 4.423 1.00 0.00 N ATOM 811 CA ALA A 53 -0.157 3.104 5.099 1.00 0.00 C ATOM 812 C ALA A 53 -1.375 3.823 4.530 1.00 0.00 C ATOM 813 O ALA A 53 -2.242 3.202 3.916 1.00 0.00 O ATOM 814 CB ALA A 53 -0.045 3.353 6.596 1.00 0.00 C ATOM 0 H ALA A 53 1.759 3.952 5.035 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.287 2.035 4.929 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.964 3.034 7.088 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.796 2.788 6.997 1.00 0.00 H new ATOM 0 HB3 ALA A 53 0.113 4.416 6.777 1.00 0.00 H new ATOM 820 N GLU A 54 -1.435 5.134 4.741 1.00 0.00 N ATOM 821 CA GLU A 54 -2.549 5.936 4.250 1.00 0.00 C ATOM 822 C GLU A 54 -2.954 5.502 2.844 1.00 0.00 C ATOM 823 O GLU A 54 -4.140 5.400 2.532 1.00 0.00 O ATOM 824 CB GLU A 54 -2.176 7.421 4.249 1.00 0.00 C ATOM 825 CG GLU A 54 -3.330 8.337 3.878 1.00 0.00 C ATOM 826 CD GLU A 54 -4.486 8.245 4.854 1.00 0.00 C ATOM 827 OE1 GLU A 54 -5.121 7.172 4.923 1.00 0.00 O ATOM 828 OE2 GLU A 54 -4.756 9.247 5.549 1.00 0.00 O ATOM 0 H GLU A 54 -0.726 5.663 5.248 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.396 5.781 4.918 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.808 7.696 5.238 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.356 7.581 3.549 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.974 9.366 3.839 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.683 8.084 2.878 1.00 0.00 H new ATOM 835 N ALA A 55 -1.959 5.249 2.000 1.00 0.00 N ATOM 836 CA ALA A 55 -2.211 4.824 0.628 1.00 0.00 C ATOM 837 C ALA A 55 -3.038 3.543 0.593 1.00 0.00 C ATOM 838 O ALA A 55 -4.002 3.436 -0.166 1.00 0.00 O ATOM 839 CB ALA A 55 -0.897 4.627 -0.113 1.00 0.00 C ATOM 0 H ALA A 55 -0.971 5.331 2.242 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.782 5.608 0.130 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.100 4.310 -1.136 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.343 5.566 -0.127 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.305 3.864 0.393 1.00 0.00 H new ATOM 845 N TYR A 56 -2.654 2.574 1.416 1.00 0.00 N ATOM 846 CA TYR A 56 -3.358 1.299 1.477 1.00 0.00 C ATOM 847 C TYR A 56 -4.720 1.460 2.146 1.00 0.00 C ATOM 848 O TYR A 56 -5.745 1.062 1.594 1.00 0.00 O ATOM 849 CB TYR A 56 -2.523 0.267 2.236 1.00 0.00 C ATOM 850 CG TYR A 56 -3.268 -1.014 2.535 1.00 0.00 C ATOM 851 CD1 TYR A 56 -3.473 -1.969 1.546 1.00 0.00 C ATOM 852 CD2 TYR A 56 -3.769 -1.270 3.805 1.00 0.00 C ATOM 853 CE1 TYR A 56 -4.154 -3.140 1.814 1.00 0.00 C ATOM 854 CE2 TYR A 56 -4.450 -2.439 4.082 1.00 0.00 C ATOM 855 CZ TYR A 56 -4.640 -3.371 3.084 1.00 0.00 C ATOM 856 OH TYR A 56 -5.319 -4.537 3.356 1.00 0.00 O ATOM 0 H TYR A 56 -1.859 2.647 2.050 1.00 0.00 H new ATOM 0 HA TYR A 56 -3.514 0.950 0.456 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -1.633 0.032 1.652 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -2.182 0.706 3.174 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -3.093 -1.792 0.551 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -3.623 -0.542 4.589 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -4.305 -3.871 1.033 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -4.832 -2.622 5.075 1.00 0.00 H new ATOM 0 HH TYR A 56 -5.593 -4.544 4.297 1.00 0.00 H new ATOM 866 N GLU A 57 -4.720 2.046 3.339 1.00 0.00 N ATOM 867 CA GLU A 57 -5.955 2.259 4.085 1.00 0.00 C ATOM 868 C GLU A 57 -7.116 2.555 3.140 1.00 0.00 C ATOM 869 O GLU A 57 -8.224 2.048 3.321 1.00 0.00 O ATOM 870 CB GLU A 57 -5.784 3.411 5.078 1.00 0.00 C ATOM 871 CG GLU A 57 -4.850 3.086 6.232 1.00 0.00 C ATOM 872 CD GLU A 57 -5.436 2.064 7.187 1.00 0.00 C ATOM 873 OE1 GLU A 57 -6.480 2.361 7.805 1.00 0.00 O ATOM 874 OE2 GLU A 57 -4.851 0.969 7.316 1.00 0.00 O ATOM 0 H GLU A 57 -3.879 2.382 3.809 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.181 1.345 4.635 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.402 4.283 4.547 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.761 3.683 5.478 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.907 2.709 5.836 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.623 4.001 6.779 1.00 0.00 H new ATOM 881 N THR A 58 -6.855 3.381 2.132 1.00 0.00 N ATOM 882 CA THR A 58 -7.878 3.747 1.160 1.00 0.00 C ATOM 883 C THR A 58 -8.152 2.601 0.193 1.00 0.00 C ATOM 884 O THR A 58 -9.306 2.248 -0.056 1.00 0.00 O ATOM 885 CB THR A 58 -7.467 4.995 0.355 1.00 0.00 C ATOM 886 OG1 THR A 58 -6.974 6.008 1.240 1.00 0.00 O ATOM 887 CG2 THR A 58 -8.645 5.538 -0.439 1.00 0.00 C ATOM 0 H THR A 58 -5.944 3.809 1.967 1.00 0.00 H new ATOM 0 HA THR A 58 -8.784 3.969 1.723 1.00 0.00 H new ATOM 0 HB THR A 58 -6.680 4.708 -0.343 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.212 6.463 0.824 1.00 0.00 H new ATOM 0 HG21 THR A 58 -8.331 6.419 -0.999 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.000 4.775 -1.132 1.00 0.00 H new ATOM 0 HG23 THR A 58 -9.450 5.810 0.244 1.00 0.00 H new ATOM 895 N LEU A 59 -7.086 2.022 -0.349 1.00 0.00 N ATOM 896 CA LEU A 59 -7.213 0.913 -1.289 1.00 0.00 C ATOM 897 C LEU A 59 -7.355 -0.413 -0.550 1.00 0.00 C ATOM 898 O LEU A 59 -7.271 -1.483 -1.153 1.00 0.00 O ATOM 899 CB LEU A 59 -5.998 0.865 -2.217 1.00 0.00 C ATOM 900 CG LEU A 59 -5.495 2.213 -2.734 1.00 0.00 C ATOM 901 CD1 LEU A 59 -4.150 2.051 -3.426 1.00 0.00 C ATOM 902 CD2 LEU A 59 -6.511 2.835 -3.680 1.00 0.00 C ATOM 0 H LEU A 59 -6.125 2.302 -0.154 1.00 0.00 H new ATOM 0 HA LEU A 59 -8.112 1.074 -1.884 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.181 0.374 -1.688 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.245 0.239 -3.074 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.365 2.881 -1.882 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.808 3.021 -3.787 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.423 1.650 -2.720 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.254 1.366 -4.268 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.136 3.794 -4.038 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.674 2.170 -4.528 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.453 2.988 -3.153 1.00 0.00 H new ATOM 914 N SER A 60 -7.575 -0.336 0.759 1.00 0.00 N ATOM 915 CA SER A 60 -7.728 -1.530 1.580 1.00 0.00 C ATOM 916 C SER A 60 -9.193 -1.947 1.665 1.00 0.00 C ATOM 917 O SER A 60 -9.561 -3.050 1.261 1.00 0.00 O ATOM 918 CB SER A 60 -7.174 -1.284 2.985 1.00 0.00 C ATOM 919 OG SER A 60 -8.164 -0.729 3.834 1.00 0.00 O ATOM 0 H SER A 60 -7.651 0.542 1.273 1.00 0.00 H new ATOM 0 HA SER A 60 -7.165 -2.337 1.111 1.00 0.00 H new ATOM 0 HB2 SER A 60 -6.814 -2.222 3.407 1.00 0.00 H new ATOM 0 HB3 SER A 60 -6.319 -0.610 2.929 1.00 0.00 H new ATOM 0 HG SER A 60 -8.194 0.243 3.710 1.00 0.00 H new ATOM 925 N ASP A 61 -10.025 -1.057 2.194 1.00 0.00 N ATOM 926 CA ASP A 61 -11.451 -1.330 2.332 1.00 0.00 C ATOM 927 C ASP A 61 -12.132 -1.363 0.968 1.00 0.00 C ATOM 928 O ASP A 61 -11.481 -1.218 -0.066 1.00 0.00 O ATOM 929 CB ASP A 61 -12.111 -0.274 3.220 1.00 0.00 C ATOM 930 CG ASP A 61 -13.307 -0.818 3.976 1.00 0.00 C ATOM 931 OD1 ASP A 61 -13.105 -1.429 5.046 1.00 0.00 O ATOM 932 OD2 ASP A 61 -14.445 -0.633 3.497 1.00 0.00 O ATOM 0 H ASP A 61 -9.737 -0.140 2.535 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.565 -2.308 2.799 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -11.378 0.108 3.931 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -12.427 0.568 2.604 1.00 0.00 H new ATOM 937 N ALA A 62 -13.447 -1.555 0.973 1.00 0.00 N ATOM 938 CA ALA A 62 -14.217 -1.606 -0.264 1.00 0.00 C ATOM 939 C ALA A 62 -14.736 -0.224 -0.645 1.00 0.00 C ATOM 940 O ALA A 62 -14.338 0.339 -1.664 1.00 0.00 O ATOM 941 CB ALA A 62 -15.373 -2.586 -0.126 1.00 0.00 C ATOM 0 H ALA A 62 -14.002 -1.678 1.820 1.00 0.00 H new ATOM 0 HA ALA A 62 -13.556 -1.950 -1.060 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -15.939 -2.614 -1.057 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -14.983 -3.580 0.092 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -16.026 -2.267 0.686 1.00 0.00 H new ATOM 947 N ASN A 63 -15.627 0.317 0.180 1.00 0.00 N ATOM 948 CA ASN A 63 -16.201 1.633 -0.073 1.00 0.00 C ATOM 949 C ASN A 63 -15.105 2.682 -0.237 1.00 0.00 C ATOM 950 O ASN A 63 -15.175 3.534 -1.124 1.00 0.00 O ATOM 951 CB ASN A 63 -17.136 2.032 1.070 1.00 0.00 C ATOM 952 CG ASN A 63 -18.073 0.908 1.470 1.00 0.00 C ATOM 953 OD1 ASN A 63 -19.172 0.779 0.931 1.00 0.00 O ATOM 954 ND2 ASN A 63 -17.640 0.088 2.421 1.00 0.00 N ATOM 0 H ASN A 63 -15.967 -0.136 1.029 1.00 0.00 H new ATOM 0 HA ASN A 63 -16.772 1.581 -1.000 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -16.542 2.331 1.934 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -17.722 2.901 0.770 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -18.226 -0.687 2.732 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -16.721 0.233 2.840 1.00 0.00 H new ATOM 961 N ARG A 64 -14.094 2.614 0.622 1.00 0.00 N ATOM 962 CA ARG A 64 -12.984 3.557 0.573 1.00 0.00 C ATOM 963 C ARG A 64 -12.293 3.513 -0.787 1.00 0.00 C ATOM 964 O ARG A 64 -12.173 4.533 -1.467 1.00 0.00 O ATOM 965 CB ARG A 64 -11.974 3.248 1.680 1.00 0.00 C ATOM 966 CG ARG A 64 -12.459 3.626 3.069 1.00 0.00 C ATOM 967 CD ARG A 64 -11.344 3.516 4.098 1.00 0.00 C ATOM 968 NE ARG A 64 -11.698 4.162 5.359 1.00 0.00 N ATOM 969 CZ ARG A 64 -12.516 3.623 6.257 1.00 0.00 C ATOM 970 NH1 ARG A 64 -13.061 2.435 6.032 1.00 0.00 N ATOM 971 NH2 ARG A 64 -12.789 4.272 7.381 1.00 0.00 N ATOM 0 H ARG A 64 -14.021 1.915 1.361 1.00 0.00 H new ATOM 0 HA ARG A 64 -13.385 4.559 0.726 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -11.743 2.183 1.662 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -11.045 3.779 1.472 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -12.844 4.646 3.056 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -13.286 2.976 3.356 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -11.120 2.465 4.279 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -10.437 3.971 3.700 1.00 0.00 H new ATOM 0 HE ARG A 64 -11.295 5.077 5.562 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -12.853 1.934 5.169 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -13.689 2.023 6.722 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -12.371 5.186 7.557 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -13.417 3.857 8.070 1.00 0.00 H new ATOM 985 N ARG A 65 -11.840 2.326 -1.177 1.00 0.00 N ATOM 986 CA ARG A 65 -11.160 2.150 -2.455 1.00 0.00 C ATOM 987 C ARG A 65 -12.095 2.470 -3.617 1.00 0.00 C ATOM 988 O ARG A 65 -11.667 2.992 -4.647 1.00 0.00 O ATOM 989 CB ARG A 65 -10.639 0.717 -2.585 1.00 0.00 C ATOM 990 CG ARG A 65 -9.771 0.495 -3.813 1.00 0.00 C ATOM 991 CD ARG A 65 -10.601 0.064 -5.012 1.00 0.00 C ATOM 992 NE ARG A 65 -9.770 -0.230 -6.176 1.00 0.00 N ATOM 993 CZ ARG A 65 -10.247 -0.331 -7.412 1.00 0.00 C ATOM 994 NH1 ARG A 65 -11.541 -0.163 -7.643 1.00 0.00 N ATOM 995 NH2 ARG A 65 -9.427 -0.600 -8.420 1.00 0.00 N ATOM 0 H ARG A 65 -11.931 1.472 -0.627 1.00 0.00 H new ATOM 0 HA ARG A 65 -10.318 2.841 -2.489 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -10.064 0.466 -1.694 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -11.487 0.033 -2.621 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -9.235 1.414 -4.052 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -9.020 -0.265 -3.597 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -11.184 -0.819 -4.751 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.311 0.852 -5.263 1.00 0.00 H new ATOM 0 HE ARG A 65 -8.769 -0.365 -6.033 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -12.174 0.045 -6.871 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -11.904 -0.241 -8.593 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -8.430 -0.729 -8.246 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -9.793 -0.678 -9.369 1.00 0.00 H new ATOM 1009 N LYS A 66 -13.374 2.154 -3.445 1.00 0.00 N ATOM 1010 CA LYS A 66 -14.371 2.408 -4.479 1.00 0.00 C ATOM 1011 C LYS A 66 -14.460 3.898 -4.794 1.00 0.00 C ATOM 1012 O LYS A 66 -14.609 4.288 -5.951 1.00 0.00 O ATOM 1013 CB LYS A 66 -15.740 1.887 -4.035 1.00 0.00 C ATOM 1014 CG LYS A 66 -16.862 2.228 -4.999 1.00 0.00 C ATOM 1015 CD LYS A 66 -18.225 2.072 -4.346 1.00 0.00 C ATOM 1016 CE LYS A 66 -18.744 0.648 -4.472 1.00 0.00 C ATOM 1017 NZ LYS A 66 -18.293 -0.208 -3.340 1.00 0.00 N ATOM 0 H LYS A 66 -13.745 1.721 -2.599 1.00 0.00 H new ATOM 0 HA LYS A 66 -14.064 1.881 -5.382 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -15.688 0.804 -3.920 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -15.976 2.301 -3.055 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -16.741 3.252 -5.351 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -16.800 1.581 -5.874 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -18.158 2.344 -3.293 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -18.932 2.760 -4.809 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -19.833 0.660 -4.507 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -18.400 0.218 -5.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -17.944 -1.116 -3.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -17.529 0.273 -2.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -19.091 -0.380 -2.696 1.00 0.00 H new ATOM 1031 N GLU A 67 -14.366 4.724 -3.757 1.00 0.00 N ATOM 1032 CA GLU A 67 -14.436 6.171 -3.925 1.00 0.00 C ATOM 1033 C GLU A 67 -13.160 6.706 -4.567 1.00 0.00 C ATOM 1034 O GLU A 67 -13.210 7.453 -5.544 1.00 0.00 O ATOM 1035 CB GLU A 67 -14.666 6.853 -2.575 1.00 0.00 C ATOM 1036 CG GLU A 67 -16.006 6.517 -1.943 1.00 0.00 C ATOM 1037 CD GLU A 67 -16.548 7.646 -1.089 1.00 0.00 C ATOM 1038 OE1 GLU A 67 -15.976 7.902 -0.009 1.00 0.00 O ATOM 1039 OE2 GLU A 67 -17.546 8.275 -1.502 1.00 0.00 O ATOM 0 H GLU A 67 -14.241 4.416 -2.792 1.00 0.00 H new ATOM 0 HA GLU A 67 -15.275 6.395 -4.584 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -13.868 6.563 -1.891 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -14.597 7.933 -2.707 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -16.725 6.283 -2.728 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -15.900 5.622 -1.330 1.00 0.00 H new ATOM 1046 N TYR A 68 -12.017 6.319 -4.011 1.00 0.00 N ATOM 1047 CA TYR A 68 -10.727 6.761 -4.526 1.00 0.00 C ATOM 1048 C TYR A 68 -10.549 6.342 -5.982 1.00 0.00 C ATOM 1049 O TYR A 68 -9.731 6.907 -6.707 1.00 0.00 O ATOM 1050 CB TYR A 68 -9.591 6.189 -3.677 1.00 0.00 C ATOM 1051 CG TYR A 68 -8.219 6.417 -4.268 1.00 0.00 C ATOM 1052 CD1 TYR A 68 -7.492 7.563 -3.967 1.00 0.00 C ATOM 1053 CD2 TYR A 68 -7.648 5.487 -5.129 1.00 0.00 C ATOM 1054 CE1 TYR A 68 -6.238 7.776 -4.505 1.00 0.00 C ATOM 1055 CE2 TYR A 68 -6.394 5.691 -5.671 1.00 0.00 C ATOM 1056 CZ TYR A 68 -5.693 6.837 -5.356 1.00 0.00 C ATOM 1057 OH TYR A 68 -4.444 7.045 -5.895 1.00 0.00 O ATOM 0 H TYR A 68 -11.958 5.699 -3.203 1.00 0.00 H new ATOM 0 HA TYR A 68 -10.698 7.849 -4.473 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -9.629 6.638 -2.685 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -9.749 5.118 -3.549 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -7.915 8.300 -3.301 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -8.194 4.589 -5.378 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -5.687 8.672 -4.261 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -5.965 4.958 -6.338 1.00 0.00 H new ATOM 0 HH TYR A 68 -4.207 6.289 -6.472 1.00 0.00 H new ATOM 1067 N ASP A 69 -11.323 5.347 -6.403 1.00 0.00 N ATOM 1068 CA ASP A 69 -11.254 4.851 -7.773 1.00 0.00 C ATOM 1069 C ASP A 69 -12.355 5.467 -8.630 1.00 0.00 C ATOM 1070 O ASP A 69 -12.132 5.817 -9.789 1.00 0.00 O ATOM 1071 CB ASP A 69 -11.368 3.326 -7.792 1.00 0.00 C ATOM 1072 CG ASP A 69 -10.617 2.704 -8.953 1.00 0.00 C ATOM 1073 OD1 ASP A 69 -11.094 2.823 -10.100 1.00 0.00 O ATOM 1074 OD2 ASP A 69 -9.552 2.097 -8.713 1.00 0.00 O ATOM 0 H ASP A 69 -12.005 4.868 -5.815 1.00 0.00 H new ATOM 0 HA ASP A 69 -10.289 5.140 -8.190 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -10.981 2.924 -6.856 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -12.419 3.044 -7.850 1.00 0.00 H new ATOM 1079 N THR A 70 -13.546 5.596 -8.052 1.00 0.00 N ATOM 1080 CA THR A 70 -14.682 6.167 -8.763 1.00 0.00 C ATOM 1081 C THR A 70 -14.561 7.683 -8.866 1.00 0.00 C ATOM 1082 O THR A 70 -15.180 8.309 -9.728 1.00 0.00 O ATOM 1083 CB THR A 70 -16.012 5.816 -8.070 1.00 0.00 C ATOM 1084 OG1 THR A 70 -17.088 5.883 -9.013 1.00 0.00 O ATOM 1085 CG2 THR A 70 -16.286 6.763 -6.912 1.00 0.00 C ATOM 0 H THR A 70 -13.748 5.312 -7.093 1.00 0.00 H new ATOM 0 HA THR A 70 -14.677 5.736 -9.764 1.00 0.00 H new ATOM 0 HB THR A 70 -15.935 4.802 -7.678 1.00 0.00 H new ATOM 0 HG1 THR A 70 -17.930 5.657 -8.565 1.00 0.00 H new ATOM 0 HG21 THR A 70 -17.231 6.495 -6.439 1.00 0.00 H new ATOM 0 HG22 THR A 70 -15.480 6.688 -6.182 1.00 0.00 H new ATOM 0 HG23 THR A 70 -16.344 7.786 -7.284 1.00 0.00 H new ATOM 1093 N LEU A 71 -13.760 8.269 -7.983 1.00 0.00 N ATOM 1094 CA LEU A 71 -13.557 9.714 -7.975 1.00 0.00 C ATOM 1095 C LEU A 71 -12.162 10.070 -8.477 1.00 0.00 C ATOM 1096 O LEU A 71 -11.990 11.016 -9.245 1.00 0.00 O ATOM 1097 CB LEU A 71 -13.761 10.269 -6.564 1.00 0.00 C ATOM 1098 CG LEU A 71 -15.143 10.048 -5.949 1.00 0.00 C ATOM 1099 CD1 LEU A 71 -15.119 10.353 -4.459 1.00 0.00 C ATOM 1100 CD2 LEU A 71 -16.184 10.906 -6.654 1.00 0.00 C ATOM 0 H LEU A 71 -13.241 7.766 -7.263 1.00 0.00 H new ATOM 0 HA LEU A 71 -14.290 10.163 -8.645 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.017 9.819 -5.907 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -13.562 11.340 -6.584 1.00 0.00 H new ATOM 0 HG LEU A 71 -15.415 9.001 -6.080 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -16.111 10.190 -4.038 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -14.403 9.696 -3.965 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -14.825 11.391 -4.305 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -17.162 10.736 -6.203 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -15.917 11.958 -6.554 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -16.220 10.640 -7.710 1.00 0.00 H new ATOM 1112 N GLY A 72 -11.167 9.304 -8.040 1.00 0.00 N ATOM 1113 CA GLY A 72 -9.800 9.553 -8.457 1.00 0.00 C ATOM 1114 C GLY A 72 -9.013 10.337 -7.426 1.00 0.00 C ATOM 1115 O GLY A 72 -9.512 11.312 -6.863 1.00 0.00 O ATOM 0 H GLY A 72 -11.284 8.515 -7.404 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -9.301 8.602 -8.644 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -9.805 10.101 -9.399 1.00 0.00 H new ATOM 1119 N HIS A 73 -7.778 9.912 -7.177 1.00 0.00 N ATOM 1120 CA HIS A 73 -6.920 10.581 -6.205 1.00 0.00 C ATOM 1121 C HIS A 73 -7.133 12.091 -6.242 1.00 0.00 C ATOM 1122 O HIS A 73 -7.285 12.732 -5.202 1.00 0.00 O ATOM 1123 CB HIS A 73 -5.452 10.254 -6.479 1.00 0.00 C ATOM 1124 CG HIS A 73 -4.496 11.056 -5.651 1.00 0.00 C ATOM 1125 ND1 HIS A 73 -3.787 10.525 -4.594 1.00 0.00 N ATOM 1126 CD2 HIS A 73 -4.131 12.357 -5.731 1.00 0.00 C ATOM 1127 CE1 HIS A 73 -3.029 11.465 -4.058 1.00 0.00 C ATOM 1128 NE2 HIS A 73 -3.219 12.586 -4.730 1.00 0.00 N ATOM 0 H HIS A 73 -7.349 9.108 -7.635 1.00 0.00 H new ATOM 0 HA HIS A 73 -7.186 10.219 -5.212 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.283 9.194 -6.290 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -5.240 10.427 -7.534 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -4.490 13.080 -6.448 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -2.367 11.338 -3.214 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -2.762 13.477 -4.537 1.00 0.00 H new ATOM 1136 N SER A 74 -7.143 12.654 -7.446 1.00 0.00 N ATOM 1137 CA SER A 74 -7.332 14.089 -7.618 1.00 0.00 C ATOM 1138 C SER A 74 -8.615 14.554 -6.934 1.00 0.00 C ATOM 1139 O SER A 74 -8.587 15.417 -6.058 1.00 0.00 O ATOM 1140 CB SER A 74 -7.376 14.445 -9.105 1.00 0.00 C ATOM 1141 OG SER A 74 -7.276 15.846 -9.297 1.00 0.00 O ATOM 0 H SER A 74 -7.022 12.137 -8.317 1.00 0.00 H new ATOM 0 HA SER A 74 -6.488 14.599 -7.155 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.560 13.944 -9.626 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.305 14.080 -9.542 1.00 0.00 H new ATOM 0 HG SER A 74 -7.305 16.048 -10.256 1.00 0.00 H new ATOM 1147 N ALA A 75 -9.739 13.974 -7.343 1.00 0.00 N ATOM 1148 CA ALA A 75 -11.032 14.325 -6.771 1.00 0.00 C ATOM 1149 C ALA A 75 -11.178 13.766 -5.359 1.00 0.00 C ATOM 1150 O ALA A 75 -11.329 14.517 -4.396 1.00 0.00 O ATOM 1151 CB ALA A 75 -12.158 13.820 -7.660 1.00 0.00 C ATOM 0 H ALA A 75 -9.779 13.259 -8.069 1.00 0.00 H new ATOM 0 HA ALA A 75 -11.092 15.412 -6.711 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -13.118 14.090 -7.220 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -12.072 14.272 -8.648 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -12.092 12.736 -7.750 1.00 0.00 H new ATOM 1157 N PHE A 76 -11.132 12.443 -5.245 1.00 0.00 N ATOM 1158 CA PHE A 76 -11.261 11.782 -3.951 1.00 0.00 C ATOM 1159 C PHE A 76 -10.614 12.615 -2.849 1.00 0.00 C ATOM 1160 O PHE A 76 -11.130 12.700 -1.734 1.00 0.00 O ATOM 1161 CB PHE A 76 -10.622 10.393 -3.998 1.00 0.00 C ATOM 1162 CG PHE A 76 -10.595 9.700 -2.666 1.00 0.00 C ATOM 1163 CD1 PHE A 76 -9.536 9.890 -1.792 1.00 0.00 C ATOM 1164 CD2 PHE A 76 -11.628 8.858 -2.287 1.00 0.00 C ATOM 1165 CE1 PHE A 76 -9.508 9.255 -0.565 1.00 0.00 C ATOM 1166 CE2 PHE A 76 -11.606 8.220 -1.061 1.00 0.00 C ATOM 1167 CZ PHE A 76 -10.544 8.418 -0.200 1.00 0.00 C ATOM 0 H PHE A 76 -11.006 11.807 -6.033 1.00 0.00 H new ATOM 0 HA PHE A 76 -12.323 11.678 -3.728 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -11.169 9.774 -4.709 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -9.602 10.483 -4.372 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -8.723 10.542 -2.074 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -12.460 8.698 -2.957 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -8.678 9.413 0.107 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -12.418 7.567 -0.777 1.00 0.00 H new ATOM 0 HZ PHE A 76 -10.524 7.919 0.757 1.00 0.00 H new ATOM 1177 N THR A 77 -9.479 13.229 -3.168 1.00 0.00 N ATOM 1178 CA THR A 77 -8.759 14.054 -2.206 1.00 0.00 C ATOM 1179 C THR A 77 -9.310 15.475 -2.179 1.00 0.00 C ATOM 1180 O THR A 77 -8.555 16.445 -2.249 1.00 0.00 O ATOM 1181 CB THR A 77 -7.253 14.105 -2.525 1.00 0.00 C ATOM 1182 OG1 THR A 77 -7.042 14.746 -3.788 1.00 0.00 O ATOM 1183 CG2 THR A 77 -6.658 12.706 -2.555 1.00 0.00 C ATOM 0 H THR A 77 -9.038 13.170 -4.086 1.00 0.00 H new ATOM 0 HA THR A 77 -8.900 13.594 -1.228 1.00 0.00 H new ATOM 0 HB THR A 77 -6.757 14.676 -1.740 1.00 0.00 H new ATOM 0 HG1 THR A 77 -6.754 14.081 -4.448 1.00 0.00 H new ATOM 0 HG21 THR A 77 -5.594 12.768 -2.782 1.00 0.00 H new ATOM 0 HG22 THR A 77 -6.795 12.232 -1.583 1.00 0.00 H new ATOM 0 HG23 THR A 77 -7.159 12.114 -3.321 1.00 0.00 H new ATOM 1191 N SER A 78 -10.630 15.591 -2.077 1.00 0.00 N ATOM 1192 CA SER A 78 -11.283 16.895 -2.044 1.00 0.00 C ATOM 1193 C SER A 78 -11.602 17.306 -0.610 1.00 0.00 C ATOM 1194 O SER A 78 -12.136 16.518 0.170 1.00 0.00 O ATOM 1195 CB SER A 78 -12.566 16.868 -2.877 1.00 0.00 C ATOM 1196 OG SER A 78 -13.391 15.777 -2.506 1.00 0.00 O ATOM 0 H SER A 78 -11.269 14.798 -2.016 1.00 0.00 H new ATOM 0 HA SER A 78 -10.598 17.628 -2.470 1.00 0.00 H new ATOM 0 HB2 SER A 78 -13.111 17.802 -2.742 1.00 0.00 H new ATOM 0 HB3 SER A 78 -12.315 16.795 -3.935 1.00 0.00 H new ATOM 0 HG SER A 78 -13.084 14.965 -2.961 1.00 0.00 H new ATOM 1202 N GLY A 79 -11.270 18.548 -0.269 1.00 0.00 N ATOM 1203 CA GLY A 79 -11.529 19.044 1.070 1.00 0.00 C ATOM 1204 C GLY A 79 -10.292 19.021 1.945 1.00 0.00 C ATOM 1205 O GLY A 79 -10.022 19.973 2.678 1.00 0.00 O ATOM 0 H GLY A 79 -10.826 19.219 -0.896 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -11.909 20.064 1.009 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -12.309 18.440 1.533 1.00 0.00 H new ATOM 1209 N LYS A 80 -9.537 17.930 1.872 1.00 0.00 N ATOM 1210 CA LYS A 80 -8.321 17.786 2.664 1.00 0.00 C ATOM 1211 C LYS A 80 -7.102 17.611 1.763 1.00 0.00 C ATOM 1212 O LYS A 80 -6.661 16.490 1.511 1.00 0.00 O ATOM 1213 CB LYS A 80 -8.444 16.591 3.612 1.00 0.00 C ATOM 1214 CG LYS A 80 -7.597 16.720 4.866 1.00 0.00 C ATOM 1215 CD LYS A 80 -6.148 16.350 4.601 1.00 0.00 C ATOM 1216 CE LYS A 80 -5.930 14.847 4.693 1.00 0.00 C ATOM 1217 NZ LYS A 80 -5.842 14.385 6.106 1.00 0.00 N ATOM 0 H LYS A 80 -9.746 17.132 1.272 1.00 0.00 H new ATOM 0 HA LYS A 80 -8.189 18.695 3.251 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -9.489 16.472 3.900 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -8.155 15.685 3.080 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -7.650 17.743 5.238 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -8.001 16.076 5.647 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -5.857 16.701 3.611 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -5.505 16.857 5.320 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -6.748 14.330 4.192 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -5.014 14.580 4.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -5.676 13.358 6.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.056 14.872 6.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -6.732 14.602 6.598 1.00 0.00 H new ATOM 1231 N GLY A 81 -6.563 18.726 1.281 1.00 0.00 N ATOM 1232 CA GLY A 81 -5.399 18.673 0.415 1.00 0.00 C ATOM 1233 C GLY A 81 -4.162 19.252 1.070 1.00 0.00 C ATOM 1234 O GLY A 81 -3.398 19.979 0.435 1.00 0.00 O ATOM 0 H GLY A 81 -6.911 19.665 1.474 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.206 17.638 0.134 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -5.609 19.220 -0.504 1.00 0.00 H new ATOM 1238 N GLN A 82 -3.964 18.931 2.345 1.00 0.00 N ATOM 1239 CA GLN A 82 -2.811 19.427 3.087 1.00 0.00 C ATOM 1240 C GLN A 82 -1.845 18.293 3.413 1.00 0.00 C ATOM 1241 O GLN A 82 -1.910 17.699 4.490 1.00 0.00 O ATOM 1242 CB GLN A 82 -3.264 20.113 4.376 1.00 0.00 C ATOM 1243 CG GLN A 82 -4.098 19.220 5.281 1.00 0.00 C ATOM 1244 CD GLN A 82 -4.922 20.007 6.280 1.00 0.00 C ATOM 1245 OE1 GLN A 82 -4.414 20.448 7.311 1.00 0.00 O ATOM 1246 NE2 GLN A 82 -6.203 20.188 5.979 1.00 0.00 N ATOM 0 H GLN A 82 -4.587 18.330 2.885 1.00 0.00 H new ATOM 0 HA GLN A 82 -2.293 20.153 2.461 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -2.386 20.453 4.925 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -3.844 21.000 4.121 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -4.762 18.609 4.670 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -3.440 18.537 5.817 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -6.583 19.805 5.113 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -6.807 20.710 6.614 1.00 0.00 H new ATOM 1255 N SER A 83 -0.950 17.996 2.476 1.00 0.00 N ATOM 1256 CA SER A 83 0.028 16.930 2.663 1.00 0.00 C ATOM 1257 C SER A 83 1.281 17.191 1.833 1.00 0.00 C ATOM 1258 O SER A 83 1.205 17.698 0.715 1.00 0.00 O ATOM 1259 CB SER A 83 -0.580 15.580 2.279 1.00 0.00 C ATOM 1260 OG SER A 83 -1.117 15.616 0.968 1.00 0.00 O ATOM 0 H SER A 83 -0.882 18.478 1.580 1.00 0.00 H new ATOM 0 HA SER A 83 0.309 16.908 3.716 1.00 0.00 H new ATOM 0 HB2 SER A 83 0.182 14.803 2.342 1.00 0.00 H new ATOM 0 HB3 SER A 83 -1.364 15.316 2.989 1.00 0.00 H new ATOM 0 HG SER A 83 -1.498 14.741 0.746 1.00 0.00 H new ATOM 1266 N GLY A 84 2.436 16.840 2.390 1.00 0.00 N ATOM 1267 CA GLY A 84 3.690 17.043 1.689 1.00 0.00 C ATOM 1268 C GLY A 84 4.320 15.740 1.239 1.00 0.00 C ATOM 1269 O GLY A 84 4.250 14.721 1.926 1.00 0.00 O ATOM 0 H GLY A 84 2.525 16.419 3.315 1.00 0.00 H new ATOM 0 HA2 GLY A 84 3.518 17.679 0.821 1.00 0.00 H new ATOM 0 HA3 GLY A 84 4.385 17.573 2.340 1.00 0.00 H new ATOM 1273 N PRO A 85 4.952 15.762 0.056 1.00 0.00 N ATOM 1274 CA PRO A 85 5.609 14.581 -0.513 1.00 0.00 C ATOM 1275 C PRO A 85 6.862 14.186 0.260 1.00 0.00 C ATOM 1276 O PRO A 85 7.035 13.024 0.628 1.00 0.00 O ATOM 1277 CB PRO A 85 5.974 15.027 -1.931 1.00 0.00 C ATOM 1278 CG PRO A 85 6.084 16.510 -1.846 1.00 0.00 C ATOM 1279 CD PRO A 85 5.076 16.942 -0.817 1.00 0.00 C ATOM 0 HA PRO A 85 4.966 13.701 -0.480 1.00 0.00 H new ATOM 0 HB2 PRO A 85 6.912 14.579 -2.258 1.00 0.00 H new ATOM 0 HB3 PRO A 85 5.211 14.727 -2.649 1.00 0.00 H new ATOM 0 HG2 PRO A 85 7.091 16.811 -1.556 1.00 0.00 H new ATOM 0 HG3 PRO A 85 5.879 16.972 -2.811 1.00 0.00 H new ATOM 0 HD2 PRO A 85 5.417 17.817 -0.264 1.00 0.00 H new ATOM 0 HD3 PRO A 85 4.122 17.205 -1.275 1.00 0.00 H new ATOM 1287 N SER A 86 7.733 15.159 0.504 1.00 0.00 N ATOM 1288 CA SER A 86 8.973 14.912 1.231 1.00 0.00 C ATOM 1289 C SER A 86 9.660 16.224 1.596 1.00 0.00 C ATOM 1290 O SER A 86 9.431 17.254 0.963 1.00 0.00 O ATOM 1291 CB SER A 86 9.915 14.044 0.394 1.00 0.00 C ATOM 1292 OG SER A 86 10.260 14.690 -0.820 1.00 0.00 O ATOM 0 H SER A 86 7.603 16.127 0.209 1.00 0.00 H new ATOM 0 HA SER A 86 8.726 14.384 2.152 1.00 0.00 H new ATOM 0 HB2 SER A 86 10.818 13.828 0.964 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.438 13.088 0.178 1.00 0.00 H new ATOM 0 HG SER A 86 10.864 14.116 -1.336 1.00 0.00 H new ATOM 1298 N SER A 87 10.505 16.177 2.621 1.00 0.00 N ATOM 1299 CA SER A 87 11.224 17.362 3.074 1.00 0.00 C ATOM 1300 C SER A 87 12.681 17.029 3.382 1.00 0.00 C ATOM 1301 O SER A 87 12.970 16.147 4.189 1.00 0.00 O ATOM 1302 CB SER A 87 10.550 17.950 4.315 1.00 0.00 C ATOM 1303 OG SER A 87 11.079 19.227 4.626 1.00 0.00 O ATOM 0 H SER A 87 10.708 15.331 3.153 1.00 0.00 H new ATOM 0 HA SER A 87 11.200 18.100 2.272 1.00 0.00 H new ATOM 0 HB2 SER A 87 9.476 18.029 4.146 1.00 0.00 H new ATOM 0 HB3 SER A 87 10.691 17.278 5.162 1.00 0.00 H new ATOM 0 HG SER A 87 10.631 19.582 5.422 1.00 0.00 H new ATOM 1309 N GLY A 88 13.595 17.743 2.732 1.00 0.00 N ATOM 1310 CA GLY A 88 15.010 17.509 2.949 1.00 0.00 C ATOM 1311 C GLY A 88 15.859 18.709 2.577 1.00 0.00 C ATOM 1312 O GLY A 88 15.617 19.820 3.048 1.00 0.00 O ATOM 0 H GLY A 88 13.380 18.479 2.059 1.00 0.00 H new ATOM 0 HA2 GLY A 88 15.178 17.260 3.997 1.00 0.00 H new ATOM 0 HA3 GLY A 88 15.327 16.647 2.362 1.00 0.00 H new TER 1316 GLY A 88