USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 674 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 NoAdj-H: A 81 ASNHD22 : A 81 ASN ND2 : A 85 GLN CG :(H bumps) USER MOD Set 1.1: A 91 THR OG1 : rot 64:sc= 1.05 USER MOD Set 1.2: A 93 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 92 HIS : no HD1:sc= -10.9! C(o=-13!,f=-15!) USER MOD Set 2.2: A 98 ASN :FLIP amide:sc= -2.2! C(o=-17!,f=-13!) USER MOD Set 3.1: A 83 ASN :FLIP amide:sc= -4.19! C(o=-15!,f=-5!) USER MOD Set 3.2: A 84 ASN : amide:sc= -0.789 K(o=-5,f=-5.7!) USER MOD Set 4.1: A 27 HIS : no HE2:sc= -10.7! C(o=-11!,f=-19!) USER MOD Set 4.2: A 57 TYR OH : rot -131:sc= 0.0471! USER MOD Set 5.1: A 36 ASN : amide:sc= -2.79! C(o=-2.8!,f=-4.8!) USER MOD Set 5.2: A 38 TYR OH : rot 30:sc= 0.0149 USER MOD Set 6.1: A 6 CYS SG : rot -33:sc= -22.7! USER MOD Set 6.2: A 9 ASN :FLIP amide:sc= -22.8! C(o=-93!,f=-90!) USER MOD Set 6.3: A 11 TYR OH : rot 40:sc= -8.17! USER MOD Set 6.4: A 103 CYS SG : rot -177:sc= -36.1! USER MOD Set 7.1: A 2 CYS SG : rot 1:sc= 0.186! USER MOD Set 7.2: A 10 CYS SG : rot -100:sc= -7.63! USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot -81:sc= 0.754 USER MOD Single : A 8 SER OG : rot 61:sc= 1.17 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0.0129 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -19.9! C(o=-20!,f=-27!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 61:sc= 0.891 USER MOD Single : A 40 HIS : no HE2:sc= -10.4! C(o=-10!,f=-13!) USER MOD Single : A 41 LYS NZ :NH3+ -170:sc= -1.56 (180deg=-1.98) USER MOD Single : A 42 TYR OH : rot 44:sc= -2.64! USER MOD Single : A 43 ASN : amide:sc= -0.27 X(o=-0.27,f=0) USER MOD Single : A 44 ASN :FLIP amide:sc= -0.107 F(o=-0.78,f=-0.11) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 6:sc= 0.123 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot -109:sc= -1.52! USER MOD Single : A 69 SER OG : rot 180:sc= 0.276 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -81.6! C(o=-82!,f=-85!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -23.5! C(o=-23!,f=-35!) USER MOD Single : A 104 THR OG1 : rot -64:sc= 0.766 USER MOD ----------------------------------------------------------------- ATOM 11 N CYS A 2 -6.629 -14.001 -5.360 1.00 0.00 N ATOM 12 CA CYS A 2 -5.237 -13.600 -5.230 1.00 0.00 C ATOM 13 C CYS A 2 -4.728 -13.178 -6.609 1.00 0.00 C ATOM 14 O CYS A 2 -4.769 -13.962 -7.556 1.00 0.00 O ATOM 15 CB CYS A 2 -4.383 -14.713 -4.621 1.00 0.00 C ATOM 16 SG CYS A 2 -5.258 -16.298 -4.360 1.00 0.00 S ATOM 0 HA CYS A 2 -5.161 -12.757 -4.543 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -3.526 -14.890 -5.271 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -3.992 -14.369 -3.664 1.00 0.00 H new ATOM 0 HG CYS A 2 -6.486 -16.189 -4.772 1.00 0.00 H new ATOM 21 N ASP A 3 -4.259 -11.941 -6.678 1.00 0.00 N ATOM 22 CA ASP A 3 -3.741 -11.406 -7.926 1.00 0.00 C ATOM 23 C ASP A 3 -2.457 -10.622 -7.647 1.00 0.00 C ATOM 24 O ASP A 3 -1.786 -10.172 -8.574 1.00 0.00 O ATOM 25 CB ASP A 3 -4.746 -10.451 -8.575 1.00 0.00 C ATOM 26 CG ASP A 3 -5.649 -11.086 -9.634 1.00 0.00 C ATOM 27 OD1 ASP A 3 -5.484 -12.303 -9.867 1.00 0.00 O ATOM 28 OD2 ASP A 3 -6.486 -10.339 -10.188 1.00 0.00 O ATOM 0 H ASP A 3 -4.227 -11.294 -5.890 1.00 0.00 H new ATOM 0 HA ASP A 3 -3.552 -12.243 -8.598 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -5.373 -10.022 -7.794 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -4.198 -9.627 -9.033 1.00 0.00 H new ATOM 33 N TYR A 4 -2.154 -10.483 -6.364 1.00 0.00 N ATOM 34 CA TYR A 4 -0.962 -9.761 -5.951 1.00 0.00 C ATOM 35 C TYR A 4 -0.195 -10.539 -4.879 1.00 0.00 C ATOM 36 O TYR A 4 -0.495 -10.427 -3.692 1.00 0.00 O ATOM 37 CB TYR A 4 -1.455 -8.443 -5.352 1.00 0.00 C ATOM 38 CG TYR A 4 -2.179 -7.538 -6.352 1.00 0.00 C ATOM 39 CD1 TYR A 4 -1.459 -6.857 -7.313 1.00 0.00 C ATOM 40 CD2 TYR A 4 -3.550 -7.401 -6.292 1.00 0.00 C ATOM 41 CE1 TYR A 4 -2.140 -6.005 -8.253 1.00 0.00 C ATOM 42 CE2 TYR A 4 -4.231 -6.550 -7.232 1.00 0.00 C ATOM 43 CZ TYR A 4 -3.493 -5.894 -8.167 1.00 0.00 C ATOM 44 OH TYR A 4 -4.136 -5.089 -9.055 1.00 0.00 O ATOM 0 H TYR A 4 -2.713 -10.858 -5.598 1.00 0.00 H new ATOM 0 HA TYR A 4 -0.291 -9.611 -6.797 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -2.127 -8.662 -4.522 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -0.604 -7.902 -4.938 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -0.385 -6.963 -7.360 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -4.113 -7.933 -5.539 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -1.589 -5.466 -9.009 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -5.304 -6.435 -7.196 1.00 0.00 H new ATOM 0 HH TYR A 4 -5.099 -5.107 -8.875 1.00 0.00 H new ATOM 54 N THR A 5 0.780 -11.310 -5.338 1.00 0.00 N ATOM 55 CA THR A 5 1.593 -12.105 -4.433 1.00 0.00 C ATOM 56 C THR A 5 2.939 -11.421 -4.185 1.00 0.00 C ATOM 57 O THR A 5 3.817 -11.439 -5.045 1.00 0.00 O ATOM 58 CB THR A 5 1.725 -13.509 -5.028 1.00 0.00 C ATOM 59 OG1 THR A 5 0.442 -14.093 -4.829 1.00 0.00 O ATOM 60 CG2 THR A 5 2.670 -14.400 -4.219 1.00 0.00 C ATOM 0 H THR A 5 1.025 -11.401 -6.324 1.00 0.00 H new ATOM 0 HA THR A 5 1.124 -12.194 -3.453 1.00 0.00 H new ATOM 0 HB THR A 5 2.084 -13.436 -6.055 1.00 0.00 H new ATOM 0 HG1 THR A 5 0.370 -14.418 -3.907 1.00 0.00 H new ATOM 0 HG21 THR A 5 2.728 -15.384 -4.683 1.00 0.00 H new ATOM 0 HG22 THR A 5 3.663 -13.950 -4.195 1.00 0.00 H new ATOM 0 HG23 THR A 5 2.293 -14.501 -3.201 1.00 0.00 H new ATOM 68 N CYS A 6 3.058 -10.835 -3.002 1.00 0.00 N ATOM 69 CA CYS A 6 4.282 -10.146 -2.629 1.00 0.00 C ATOM 70 C CYS A 6 5.291 -11.189 -2.144 1.00 0.00 C ATOM 71 O CYS A 6 5.679 -11.186 -0.976 1.00 0.00 O ATOM 72 CB CYS A 6 4.025 -9.066 -1.576 1.00 0.00 C ATOM 73 SG CYS A 6 3.369 -7.491 -2.236 1.00 0.00 S ATOM 0 H CYS A 6 2.328 -10.823 -2.290 1.00 0.00 H new ATOM 0 HA CYS A 6 4.688 -9.625 -3.496 1.00 0.00 H new ATOM 0 HB2 CYS A 6 3.322 -9.456 -0.840 1.00 0.00 H new ATOM 0 HB3 CYS A 6 4.957 -8.863 -1.049 1.00 0.00 H new ATOM 0 HG CYS A 6 3.863 -7.277 -3.419 1.00 0.00 H new ATOM 78 N GLY A 7 5.688 -12.056 -3.064 1.00 0.00 N ATOM 79 CA GLY A 7 6.644 -13.102 -2.744 1.00 0.00 C ATOM 80 C GLY A 7 6.004 -14.181 -1.869 1.00 0.00 C ATOM 81 O GLY A 7 6.042 -15.363 -2.207 1.00 0.00 O ATOM 0 H GLY A 7 5.365 -12.055 -4.031 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.019 -13.550 -3.664 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.501 -12.670 -2.227 1.00 0.00 H new ATOM 85 N SER A 8 5.428 -13.735 -0.762 1.00 0.00 N ATOM 86 CA SER A 8 4.781 -14.648 0.164 1.00 0.00 C ATOM 87 C SER A 8 3.407 -14.104 0.561 1.00 0.00 C ATOM 88 O SER A 8 3.097 -13.994 1.746 1.00 0.00 O ATOM 89 CB SER A 8 5.641 -14.873 1.409 1.00 0.00 C ATOM 90 OG SER A 8 5.507 -13.812 2.351 1.00 0.00 O ATOM 0 H SER A 8 5.396 -12.754 -0.486 1.00 0.00 H new ATOM 0 HA SER A 8 4.655 -15.608 -0.336 1.00 0.00 H new ATOM 0 HB2 SER A 8 5.357 -15.814 1.880 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.686 -14.967 1.115 1.00 0.00 H new ATOM 0 HG SER A 8 4.574 -13.751 2.645 1.00 0.00 H new ATOM 96 N ASN A 9 2.619 -13.777 -0.453 1.00 0.00 N ATOM 97 CA ASN A 9 1.286 -13.247 -0.226 1.00 0.00 C ATOM 98 C ASN A 9 0.322 -13.847 -1.251 1.00 0.00 C ATOM 99 O ASN A 9 0.705 -14.712 -2.037 1.00 0.00 O ATOM 100 CB ASN A 9 1.263 -11.726 -0.388 1.00 0.00 C ATOM 101 CG ASN A 9 2.356 -11.067 0.455 1.00 0.00 C ATOM 102 OD1 ASN A 9 3.591 -11.430 0.119 1.00 0.00 O flip ATOM 103 ND2 ASN A 9 2.096 -10.281 1.352 1.00 0.00 N flip ATOM 0 H ASN A 9 2.879 -13.869 -1.435 1.00 0.00 H new ATOM 0 HA ASN A 9 0.989 -13.505 0.790 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.403 -11.467 -1.437 1.00 0.00 H new ATOM 0 HB3 ASN A 9 0.288 -11.340 -0.091 1.00 0.00 H new ATOM 0 HD21 ASN A 9 1.125 -10.045 1.558 1.00 0.00 H new ATOM 0 HD22 ASN A 9 2.850 -9.860 1.895 1.00 0.00 H new ATOM 110 N CYS A 10 -0.911 -13.364 -1.208 1.00 0.00 N ATOM 111 CA CYS A 10 -1.934 -13.842 -2.124 1.00 0.00 C ATOM 112 C CYS A 10 -3.214 -13.043 -1.873 1.00 0.00 C ATOM 113 O CYS A 10 -4.252 -13.614 -1.542 1.00 0.00 O ATOM 114 CB CYS A 10 -2.163 -15.348 -1.979 1.00 0.00 C ATOM 115 SG CYS A 10 -2.364 -16.249 -3.559 1.00 0.00 S ATOM 0 H CYS A 10 -1.225 -12.647 -0.554 1.00 0.00 H new ATOM 0 HA CYS A 10 -1.607 -13.688 -3.152 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.322 -15.779 -1.436 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -3.052 -15.509 -1.369 1.00 0.00 H new ATOM 0 HG CYS A 10 -3.627 -16.467 -3.776 1.00 0.00 H new ATOM 120 N TYR A 11 -3.099 -11.734 -2.043 1.00 0.00 N ATOM 121 CA TYR A 11 -4.234 -10.850 -1.839 1.00 0.00 C ATOM 122 C TYR A 11 -4.483 -9.984 -3.075 1.00 0.00 C ATOM 123 O TYR A 11 -3.813 -8.971 -3.272 1.00 0.00 O ATOM 124 CB TYR A 11 -3.860 -9.945 -0.664 1.00 0.00 C ATOM 125 CG TYR A 11 -2.365 -9.626 -0.575 1.00 0.00 C ATOM 126 CD1 TYR A 11 -1.647 -9.361 -1.724 1.00 0.00 C ATOM 127 CD2 TYR A 11 -1.736 -9.604 0.652 1.00 0.00 C ATOM 128 CE1 TYR A 11 -0.242 -9.060 -1.641 1.00 0.00 C ATOM 129 CE2 TYR A 11 -0.330 -9.304 0.735 1.00 0.00 C ATOM 130 CZ TYR A 11 0.348 -9.047 -0.416 1.00 0.00 C ATOM 131 OH TYR A 11 1.675 -8.764 -0.337 1.00 0.00 O ATOM 0 H TYR A 11 -2.237 -11.264 -2.320 1.00 0.00 H new ATOM 0 HA TYR A 11 -5.139 -11.427 -1.650 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -4.416 -9.011 -0.747 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -4.175 -10.423 0.264 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -2.140 -9.380 -2.685 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -2.298 -9.812 1.551 1.00 0.00 H new ATOM 0 HE1 TYR A 11 0.331 -8.849 -2.532 1.00 0.00 H new ATOM 0 HE2 TYR A 11 0.175 -9.284 1.690 1.00 0.00 H new ATOM 0 HH TYR A 11 1.896 -8.050 -0.971 1.00 0.00 H new ATOM 141 N SER A 12 -5.448 -10.413 -3.875 1.00 0.00 N ATOM 142 CA SER A 12 -5.794 -9.689 -5.086 1.00 0.00 C ATOM 143 C SER A 12 -6.322 -8.298 -4.731 1.00 0.00 C ATOM 144 O SER A 12 -6.426 -7.950 -3.556 1.00 0.00 O ATOM 145 CB SER A 12 -6.829 -10.456 -5.910 1.00 0.00 C ATOM 146 OG SER A 12 -8.009 -10.734 -5.159 1.00 0.00 O ATOM 0 H SER A 12 -6.001 -11.253 -3.708 1.00 0.00 H new ATOM 0 HA SER A 12 -4.893 -9.585 -5.691 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.091 -9.876 -6.795 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.393 -11.392 -6.260 1.00 0.00 H new ATOM 0 HG SER A 12 -8.646 -11.223 -5.720 1.00 0.00 H new ATOM 152 N SER A 13 -6.644 -7.539 -5.769 1.00 0.00 N ATOM 153 CA SER A 13 -7.159 -6.194 -5.582 1.00 0.00 C ATOM 154 C SER A 13 -8.334 -6.215 -4.603 1.00 0.00 C ATOM 155 O SER A 13 -8.720 -5.177 -4.068 1.00 0.00 O ATOM 156 CB SER A 13 -7.589 -5.578 -6.915 1.00 0.00 C ATOM 157 OG SER A 13 -8.127 -6.553 -7.804 1.00 0.00 O ATOM 0 H SER A 13 -6.558 -7.831 -6.743 1.00 0.00 H new ATOM 0 HA SER A 13 -6.361 -5.577 -5.169 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.334 -4.803 -6.733 1.00 0.00 H new ATOM 0 HB3 SER A 13 -6.733 -5.093 -7.384 1.00 0.00 H new ATOM 0 HG SER A 13 -8.391 -6.120 -8.643 1.00 0.00 H new ATOM 163 N SER A 14 -8.871 -7.409 -4.399 1.00 0.00 N ATOM 164 CA SER A 14 -9.995 -7.580 -3.494 1.00 0.00 C ATOM 165 C SER A 14 -9.494 -7.687 -2.052 1.00 0.00 C ATOM 166 O SER A 14 -10.197 -7.308 -1.117 1.00 0.00 O ATOM 167 CB SER A 14 -10.818 -8.816 -3.864 1.00 0.00 C ATOM 168 OG SER A 14 -11.964 -8.962 -3.030 1.00 0.00 O ATOM 0 H SER A 14 -8.548 -8.268 -4.845 1.00 0.00 H new ATOM 0 HA SER A 14 -10.642 -6.707 -3.583 1.00 0.00 H new ATOM 0 HB2 SER A 14 -11.134 -8.743 -4.905 1.00 0.00 H new ATOM 0 HB3 SER A 14 -10.194 -9.706 -3.782 1.00 0.00 H new ATOM 0 HG SER A 14 -12.464 -9.761 -3.298 1.00 0.00 H new ATOM 174 N ASP A 15 -8.283 -8.207 -1.917 1.00 0.00 N ATOM 175 CA ASP A 15 -7.680 -8.369 -0.606 1.00 0.00 C ATOM 176 C ASP A 15 -7.020 -7.055 -0.186 1.00 0.00 C ATOM 177 O ASP A 15 -7.091 -6.665 0.979 1.00 0.00 O ATOM 178 CB ASP A 15 -6.601 -9.454 -0.626 1.00 0.00 C ATOM 179 CG ASP A 15 -7.092 -10.861 -0.280 1.00 0.00 C ATOM 180 OD1 ASP A 15 -7.800 -11.441 -1.132 1.00 0.00 O ATOM 181 OD2 ASP A 15 -6.747 -11.326 0.829 1.00 0.00 O ATOM 0 H ASP A 15 -7.703 -8.522 -2.695 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.466 -8.654 0.093 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.149 -9.477 -1.617 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.815 -9.177 0.077 1.00 0.00 H new ATOM 186 N VAL A 16 -6.394 -6.406 -1.157 1.00 0.00 N ATOM 187 CA VAL A 16 -5.723 -5.143 -0.903 1.00 0.00 C ATOM 188 C VAL A 16 -6.723 -4.150 -0.309 1.00 0.00 C ATOM 189 O VAL A 16 -6.430 -3.488 0.686 1.00 0.00 O ATOM 190 CB VAL A 16 -5.065 -4.633 -2.186 1.00 0.00 C ATOM 191 CG1 VAL A 16 -4.453 -3.246 -1.975 1.00 0.00 C ATOM 192 CG2 VAL A 16 -4.015 -5.623 -2.696 1.00 0.00 C ATOM 0 H VAL A 16 -6.338 -6.732 -2.122 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.924 -5.275 -0.174 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.840 -4.545 -2.947 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.992 -2.907 -2.903 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.234 -2.545 -1.680 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.697 -3.297 -1.191 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.563 -5.236 -3.609 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.243 -5.758 -1.938 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.490 -6.582 -2.905 1.00 0.00 H new ATOM 202 N SER A 17 -7.884 -4.077 -0.943 1.00 0.00 N ATOM 203 CA SER A 17 -8.929 -3.174 -0.489 1.00 0.00 C ATOM 204 C SER A 17 -8.953 -3.129 1.040 1.00 0.00 C ATOM 205 O SER A 17 -8.943 -2.051 1.632 1.00 0.00 O ATOM 206 CB SER A 17 -10.296 -3.600 -1.029 1.00 0.00 C ATOM 207 OG SER A 17 -11.287 -2.596 -0.827 1.00 0.00 O ATOM 0 H SER A 17 -8.124 -4.628 -1.767 1.00 0.00 H new ATOM 0 HA SER A 17 -8.711 -2.177 -0.872 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.213 -3.818 -2.094 1.00 0.00 H new ATOM 0 HB3 SER A 17 -10.608 -4.522 -0.538 1.00 0.00 H new ATOM 0 HG SER A 17 -12.144 -2.906 -1.187 1.00 0.00 H new ATOM 213 N THR A 18 -8.985 -4.312 1.635 1.00 0.00 N ATOM 214 CA THR A 18 -9.010 -4.420 3.084 1.00 0.00 C ATOM 215 C THR A 18 -7.908 -3.558 3.703 1.00 0.00 C ATOM 216 O THR A 18 -8.183 -2.696 4.536 1.00 0.00 O ATOM 217 CB THR A 18 -8.901 -5.901 3.449 1.00 0.00 C ATOM 218 OG1 THR A 18 -10.254 -6.345 3.510 1.00 0.00 O ATOM 219 CG2 THR A 18 -8.374 -6.116 4.870 1.00 0.00 C ATOM 0 H THR A 18 -8.994 -5.204 1.140 1.00 0.00 H new ATOM 0 HA THR A 18 -9.945 -4.038 3.493 1.00 0.00 H new ATOM 0 HB THR A 18 -8.244 -6.402 2.738 1.00 0.00 H new ATOM 0 HG1 THR A 18 -10.276 -7.297 3.740 1.00 0.00 H new ATOM 0 HG21 THR A 18 -8.316 -7.184 5.079 1.00 0.00 H new ATOM 0 HG22 THR A 18 -7.382 -5.674 4.961 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.049 -5.643 5.584 1.00 0.00 H new ATOM 227 N ALA A 19 -6.683 -3.821 3.271 1.00 0.00 N ATOM 228 CA ALA A 19 -5.538 -3.080 3.772 1.00 0.00 C ATOM 229 C ALA A 19 -5.755 -1.586 3.527 1.00 0.00 C ATOM 230 O ALA A 19 -5.478 -0.764 4.398 1.00 0.00 O ATOM 231 CB ALA A 19 -4.263 -3.601 3.107 1.00 0.00 C ATOM 0 H ALA A 19 -6.459 -4.537 2.580 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.428 -3.224 4.847 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.404 -3.045 3.482 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.139 -4.659 3.337 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.336 -3.470 2.027 1.00 0.00 H new ATOM 237 N GLN A 20 -6.250 -1.280 2.335 1.00 0.00 N ATOM 238 CA GLN A 20 -6.507 0.100 1.964 1.00 0.00 C ATOM 239 C GLN A 20 -7.465 0.750 2.966 1.00 0.00 C ATOM 240 O GLN A 20 -7.154 1.790 3.542 1.00 0.00 O ATOM 241 CB GLN A 20 -7.059 0.192 0.540 1.00 0.00 C ATOM 242 CG GLN A 20 -6.200 -0.617 -0.434 1.00 0.00 C ATOM 243 CD GLN A 20 -6.970 -0.927 -1.718 1.00 0.00 C ATOM 244 OE1 GLN A 20 -7.064 -2.061 -2.158 1.00 0.00 O ATOM 245 NE2 GLN A 20 -7.515 0.142 -2.294 1.00 0.00 N ATOM 0 H GLN A 20 -6.479 -1.965 1.615 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.562 0.644 1.988 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -8.084 -0.177 0.519 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -7.089 1.235 0.224 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.294 -0.060 -0.675 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -5.886 -1.547 0.039 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -7.398 1.064 -1.873 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -8.050 0.040 -3.157 1.00 0.00 H new ATOM 254 N ALA A 21 -8.611 0.108 3.143 1.00 0.00 N ATOM 255 CA ALA A 21 -9.616 0.609 4.063 1.00 0.00 C ATOM 256 C ALA A 21 -8.922 1.233 5.276 1.00 0.00 C ATOM 257 O ALA A 21 -9.382 2.244 5.806 1.00 0.00 O ATOM 258 CB ALA A 21 -10.563 -0.527 4.454 1.00 0.00 C ATOM 0 H ALA A 21 -8.865 -0.756 2.664 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.217 1.385 3.590 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.317 -0.150 5.145 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -11.051 -0.917 3.561 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.996 -1.324 4.935 1.00 0.00 H new ATOM 264 N ALA A 22 -7.828 0.604 5.682 1.00 0.00 N ATOM 265 CA ALA A 22 -7.067 1.086 6.822 1.00 0.00 C ATOM 266 C ALA A 22 -6.292 2.342 6.420 1.00 0.00 C ATOM 267 O ALA A 22 -6.400 3.378 7.074 1.00 0.00 O ATOM 268 CB ALA A 22 -6.150 -0.028 7.331 1.00 0.00 C ATOM 0 H ALA A 22 -7.451 -0.235 5.242 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.733 1.359 7.640 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.579 0.333 8.186 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.752 -0.885 7.632 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.465 -0.327 6.537 1.00 0.00 H new ATOM 274 N GLY A 23 -5.529 2.208 5.345 1.00 0.00 N ATOM 275 CA GLY A 23 -4.737 3.319 4.847 1.00 0.00 C ATOM 276 C GLY A 23 -5.593 4.578 4.691 1.00 0.00 C ATOM 277 O GLY A 23 -5.146 5.681 5.005 1.00 0.00 O ATOM 0 H GLY A 23 -5.443 1.347 4.805 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.913 3.518 5.532 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.296 3.054 3.886 1.00 0.00 H new ATOM 281 N TYR A 24 -6.809 4.371 4.208 1.00 0.00 N ATOM 282 CA TYR A 24 -7.732 5.475 4.006 1.00 0.00 C ATOM 283 C TYR A 24 -8.258 6.001 5.343 1.00 0.00 C ATOM 284 O TYR A 24 -7.878 7.086 5.780 1.00 0.00 O ATOM 285 CB TYR A 24 -8.901 4.904 3.200 1.00 0.00 C ATOM 286 CG TYR A 24 -10.071 5.876 3.030 1.00 0.00 C ATOM 287 CD1 TYR A 24 -9.830 7.224 2.860 1.00 0.00 C ATOM 288 CD2 TYR A 24 -11.368 5.404 3.046 1.00 0.00 C ATOM 289 CE1 TYR A 24 -10.931 8.138 2.698 1.00 0.00 C ATOM 290 CE2 TYR A 24 -12.469 6.318 2.884 1.00 0.00 C ATOM 291 CZ TYR A 24 -12.196 7.640 2.720 1.00 0.00 C ATOM 292 OH TYR A 24 -13.236 8.503 2.568 1.00 0.00 O ATOM 0 H TYR A 24 -7.177 3.455 3.951 1.00 0.00 H new ATOM 0 HA TYR A 24 -7.237 6.302 3.497 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -8.540 4.609 2.215 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -9.261 4.000 3.691 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -8.815 7.594 2.848 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -11.557 4.349 3.180 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -10.756 9.195 2.562 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -13.488 5.962 2.893 1.00 0.00 H new ATOM 0 HH TYR A 24 -14.080 8.007 2.603 1.00 0.00 H new ATOM 302 N LYS A 25 -9.123 5.206 5.956 1.00 0.00 N ATOM 303 CA LYS A 25 -9.705 5.578 7.235 1.00 0.00 C ATOM 304 C LYS A 25 -8.661 6.323 8.067 1.00 0.00 C ATOM 305 O LYS A 25 -8.928 7.410 8.578 1.00 0.00 O ATOM 306 CB LYS A 25 -10.289 4.349 7.935 1.00 0.00 C ATOM 307 CG LYS A 25 -10.962 4.738 9.253 1.00 0.00 C ATOM 308 CD LYS A 25 -12.265 5.500 9.000 1.00 0.00 C ATOM 309 CE LYS A 25 -13.065 5.663 10.293 1.00 0.00 C ATOM 310 NZ LYS A 25 -14.496 5.887 9.993 1.00 0.00 N ATOM 0 H LYS A 25 -9.435 4.306 5.591 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.542 6.260 7.090 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.014 3.864 7.281 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.497 3.624 8.126 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -11.168 3.842 9.838 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.284 5.355 9.843 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.041 6.481 8.581 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.865 4.967 8.262 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.952 4.773 10.912 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.672 6.502 10.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -15.024 5.996 10.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -14.600 6.749 9.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -14.871 5.074 9.464 1.00 0.00 H new ATOM 324 N LEU A 26 -7.492 5.709 8.180 1.00 0.00 N ATOM 325 CA LEU A 26 -6.406 6.300 8.943 1.00 0.00 C ATOM 326 C LEU A 26 -5.913 7.559 8.228 1.00 0.00 C ATOM 327 O LEU A 26 -5.529 8.534 8.873 1.00 0.00 O ATOM 328 CB LEU A 26 -5.307 5.268 9.198 1.00 0.00 C ATOM 329 CG LEU A 26 -3.950 5.826 9.633 1.00 0.00 C ATOM 330 CD1 LEU A 26 -4.090 6.696 10.883 1.00 0.00 C ATOM 331 CD2 LEU A 26 -2.931 4.701 9.829 1.00 0.00 C ATOM 0 H LEU A 26 -7.273 4.808 7.755 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.756 6.608 9.928 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.656 4.577 9.965 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.163 4.687 8.287 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.573 6.466 8.835 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.111 7.080 11.171 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.759 7.530 10.673 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.499 6.099 11.698 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.976 5.125 10.138 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.289 4.016 10.597 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.802 4.160 8.892 1.00 0.00 H new ATOM 343 N HIS A 27 -5.939 7.499 6.904 1.00 0.00 N ATOM 344 CA HIS A 27 -5.500 8.622 6.095 1.00 0.00 C ATOM 345 C HIS A 27 -6.463 9.797 6.281 1.00 0.00 C ATOM 346 O HIS A 27 -6.031 10.934 6.465 1.00 0.00 O ATOM 347 CB HIS A 27 -5.345 8.209 4.629 1.00 0.00 C ATOM 348 CG HIS A 27 -5.344 9.367 3.661 1.00 0.00 C ATOM 349 ND1 HIS A 27 -4.398 10.377 3.702 1.00 0.00 N ATOM 350 CD2 HIS A 27 -6.182 9.666 2.627 1.00 0.00 C ATOM 351 CE1 HIS A 27 -4.664 11.238 2.730 1.00 0.00 C ATOM 352 NE2 HIS A 27 -5.770 10.796 2.066 1.00 0.00 N ATOM 0 H HIS A 27 -6.258 6.689 6.372 1.00 0.00 H new ATOM 0 HA HIS A 27 -4.514 8.949 6.426 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.414 7.653 4.515 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.156 7.530 4.366 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -3.628 10.447 4.367 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -7.036 9.082 2.317 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -4.103 12.133 2.504 1.00 0.00 H new ATOM 361 N GLU A 28 -7.748 9.481 6.226 1.00 0.00 N ATOM 362 CA GLU A 28 -8.776 10.496 6.387 1.00 0.00 C ATOM 363 C GLU A 28 -8.773 11.032 7.820 1.00 0.00 C ATOM 364 O GLU A 28 -9.235 12.144 8.071 1.00 0.00 O ATOM 365 CB GLU A 28 -10.153 9.947 6.010 1.00 0.00 C ATOM 366 CG GLU A 28 -10.107 8.428 5.831 1.00 0.00 C ATOM 367 CD GLU A 28 -11.514 7.854 5.652 1.00 0.00 C ATOM 368 OE1 GLU A 28 -12.472 8.593 5.968 1.00 0.00 O ATOM 369 OE2 GLU A 28 -11.600 6.691 5.203 1.00 0.00 O ATOM 0 H GLU A 28 -8.101 8.537 6.072 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.553 11.321 5.711 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -10.875 10.204 6.785 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.495 10.415 5.087 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.496 8.179 4.964 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.631 7.970 6.698 1.00 0.00 H new ATOM 376 N ASP A 29 -8.247 10.216 8.722 1.00 0.00 N ATOM 377 CA ASP A 29 -8.178 10.595 10.124 1.00 0.00 C ATOM 378 C ASP A 29 -6.925 11.440 10.358 1.00 0.00 C ATOM 379 O ASP A 29 -6.854 12.196 11.325 1.00 0.00 O ATOM 380 CB ASP A 29 -8.091 9.361 11.024 1.00 0.00 C ATOM 381 CG ASP A 29 -9.263 8.385 10.900 1.00 0.00 C ATOM 382 OD1 ASP A 29 -10.283 8.797 10.304 1.00 0.00 O ATOM 383 OD2 ASP A 29 -9.113 7.250 11.401 1.00 0.00 O ATOM 0 H ASP A 29 -7.865 9.294 8.510 1.00 0.00 H new ATOM 0 HA ASP A 29 -9.081 11.156 10.367 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.168 8.828 10.795 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -8.020 9.690 12.061 1.00 0.00 H new ATOM 388 N GLY A 30 -5.967 11.284 9.456 1.00 0.00 N ATOM 389 CA GLY A 30 -4.720 12.024 9.553 1.00 0.00 C ATOM 390 C GLY A 30 -3.814 11.433 10.635 1.00 0.00 C ATOM 391 O GLY A 30 -2.946 12.123 11.167 1.00 0.00 O ATOM 0 H GLY A 30 -6.029 10.656 8.655 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.206 12.004 8.592 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.930 13.069 9.781 1.00 0.00 H new ATOM 395 N GLU A 31 -4.049 10.163 10.929 1.00 0.00 N ATOM 396 CA GLU A 31 -3.265 9.471 11.939 1.00 0.00 C ATOM 397 C GLU A 31 -2.151 8.655 11.280 1.00 0.00 C ATOM 398 O GLU A 31 -2.037 8.630 10.056 1.00 0.00 O ATOM 399 CB GLU A 31 -4.155 8.582 12.810 1.00 0.00 C ATOM 400 CG GLU A 31 -4.671 9.348 14.029 1.00 0.00 C ATOM 401 CD GLU A 31 -3.563 9.536 15.067 1.00 0.00 C ATOM 402 OE1 GLU A 31 -2.647 10.338 14.783 1.00 0.00 O ATOM 403 OE2 GLU A 31 -3.656 8.873 16.123 1.00 0.00 O ATOM 0 H GLU A 31 -4.771 9.595 10.486 1.00 0.00 H new ATOM 0 HA GLU A 31 -2.806 10.216 12.588 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.997 8.218 12.222 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.592 7.708 13.137 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.051 10.321 13.718 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.505 8.808 14.476 1.00 0.00 H new ATOM 410 N THR A 32 -1.359 8.008 12.121 1.00 0.00 N ATOM 411 CA THR A 32 -0.258 7.193 11.635 1.00 0.00 C ATOM 412 C THR A 32 -0.206 5.863 12.389 1.00 0.00 C ATOM 413 O THR A 32 -0.909 5.681 13.382 1.00 0.00 O ATOM 414 CB THR A 32 1.028 8.013 11.759 1.00 0.00 C ATOM 415 OG1 THR A 32 1.133 8.284 13.155 1.00 0.00 O ATOM 416 CG2 THR A 32 0.904 9.397 11.119 1.00 0.00 C ATOM 0 H THR A 32 -1.457 8.031 13.136 1.00 0.00 H new ATOM 0 HA THR A 32 -0.393 6.931 10.586 1.00 0.00 H new ATOM 0 HB THR A 32 1.851 7.471 11.293 1.00 0.00 H new ATOM 0 HG1 THR A 32 1.941 8.811 13.326 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.844 9.937 11.235 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.676 9.288 10.059 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.103 9.953 11.607 1.00 0.00 H new ATOM 424 N VAL A 33 0.634 4.968 11.889 1.00 0.00 N ATOM 425 CA VAL A 33 0.787 3.661 12.503 1.00 0.00 C ATOM 426 C VAL A 33 2.276 3.334 12.633 1.00 0.00 C ATOM 427 O VAL A 33 3.049 3.561 11.704 1.00 0.00 O ATOM 428 CB VAL A 33 0.013 2.612 11.701 1.00 0.00 C ATOM 429 CG1 VAL A 33 -1.381 3.123 11.332 1.00 0.00 C ATOM 430 CG2 VAL A 33 0.792 2.192 10.453 1.00 0.00 C ATOM 0 H VAL A 33 1.215 5.123 11.065 1.00 0.00 H new ATOM 0 HA VAL A 33 0.365 3.660 13.508 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.110 1.731 12.331 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.910 2.359 10.763 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.938 3.349 12.241 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.290 4.026 10.729 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.220 1.446 9.901 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.960 3.063 9.819 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.752 1.768 10.749 1.00 0.00 H new ATOM 440 N GLY A 34 2.634 2.808 13.796 1.00 0.00 N ATOM 441 CA GLY A 34 4.017 2.448 14.060 1.00 0.00 C ATOM 442 C GLY A 34 4.843 3.681 14.433 1.00 0.00 C ATOM 443 O GLY A 34 4.315 4.639 14.996 1.00 0.00 O ATOM 0 H GLY A 34 1.991 2.623 14.565 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.059 1.719 14.870 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.447 1.971 13.179 1.00 0.00 H new ATOM 447 N SER A 35 6.124 3.617 14.103 1.00 0.00 N ATOM 448 CA SER A 35 7.028 4.717 14.397 1.00 0.00 C ATOM 449 C SER A 35 7.224 5.580 13.149 1.00 0.00 C ATOM 450 O SER A 35 7.958 6.566 13.182 1.00 0.00 O ATOM 451 CB SER A 35 8.376 4.200 14.903 1.00 0.00 C ATOM 452 OG SER A 35 8.283 3.663 16.220 1.00 0.00 O ATOM 0 H SER A 35 6.558 2.821 13.635 1.00 0.00 H new ATOM 0 HA SER A 35 6.584 5.325 15.185 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.748 3.432 14.224 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.102 5.013 14.894 1.00 0.00 H new ATOM 0 HG SER A 35 9.164 3.342 16.505 1.00 0.00 H new ATOM 458 N ASN A 36 6.555 5.177 12.079 1.00 0.00 N ATOM 459 CA ASN A 36 6.647 5.903 10.823 1.00 0.00 C ATOM 460 C ASN A 36 5.493 6.904 10.732 1.00 0.00 C ATOM 461 O ASN A 36 4.836 7.192 11.731 1.00 0.00 O ATOM 462 CB ASN A 36 6.542 4.951 9.630 1.00 0.00 C ATOM 463 CG ASN A 36 7.923 4.666 9.034 1.00 0.00 C ATOM 464 OD1 ASN A 36 8.941 5.148 9.501 1.00 0.00 O ATOM 465 ND2 ASN A 36 7.899 3.857 7.978 1.00 0.00 N ATOM 0 H ASN A 36 5.947 4.358 12.055 1.00 0.00 H new ATOM 0 HA ASN A 36 7.611 6.412 10.796 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.078 4.017 9.945 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.896 5.387 8.868 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.769 3.606 7.508 1.00 0.00 H new ATOM 0 HD22 ASN A 36 7.011 3.488 7.638 1.00 0.00 H new ATOM 472 N SER A 37 5.283 7.408 9.524 1.00 0.00 N ATOM 473 CA SER A 37 4.221 8.370 9.290 1.00 0.00 C ATOM 474 C SER A 37 3.257 7.838 8.227 1.00 0.00 C ATOM 475 O SER A 37 2.821 8.583 7.351 1.00 0.00 O ATOM 476 CB SER A 37 4.790 9.724 8.859 1.00 0.00 C ATOM 477 OG SER A 37 5.119 9.749 7.473 1.00 0.00 O ATOM 0 H SER A 37 5.831 7.168 8.698 1.00 0.00 H new ATOM 0 HA SER A 37 3.678 8.514 10.224 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.063 10.507 9.073 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.680 9.947 9.447 1.00 0.00 H new ATOM 0 HG SER A 37 4.311 9.591 6.942 1.00 0.00 H new ATOM 483 N TYR A 38 2.952 6.554 8.341 1.00 0.00 N ATOM 484 CA TYR A 38 2.048 5.913 7.401 1.00 0.00 C ATOM 485 C TYR A 38 0.607 5.948 7.917 1.00 0.00 C ATOM 486 O TYR A 38 0.375 5.909 9.124 1.00 0.00 O ATOM 487 CB TYR A 38 2.506 4.457 7.302 1.00 0.00 C ATOM 488 CG TYR A 38 3.877 4.280 6.647 1.00 0.00 C ATOM 489 CD1 TYR A 38 4.864 5.225 6.844 1.00 0.00 C ATOM 490 CD2 TYR A 38 4.128 3.175 5.858 1.00 0.00 C ATOM 491 CE1 TYR A 38 6.155 5.058 6.228 1.00 0.00 C ATOM 492 CE2 TYR A 38 5.419 3.008 5.241 1.00 0.00 C ATOM 493 CZ TYR A 38 6.368 3.958 5.456 1.00 0.00 C ATOM 494 OH TYR A 38 7.587 3.800 4.874 1.00 0.00 O ATOM 0 H TYR A 38 3.315 5.940 9.070 1.00 0.00 H new ATOM 0 HA TYR A 38 2.069 6.424 6.438 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.535 4.027 8.303 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.767 3.892 6.733 1.00 0.00 H new ATOM 0 HD1 TYR A 38 4.668 6.090 7.460 1.00 0.00 H new ATOM 0 HD2 TYR A 38 3.356 2.436 5.703 1.00 0.00 H new ATOM 0 HE1 TYR A 38 6.936 5.789 6.375 1.00 0.00 H new ATOM 0 HE2 TYR A 38 5.628 2.148 4.622 1.00 0.00 H new ATOM 0 HH TYR A 38 8.274 4.216 5.435 1.00 0.00 H new ATOM 504 N PRO A 39 -0.347 6.022 6.950 1.00 0.00 N ATOM 505 CA PRO A 39 0.015 6.064 5.543 1.00 0.00 C ATOM 506 C PRO A 39 0.562 7.440 5.158 1.00 0.00 C ATOM 507 O PRO A 39 0.771 8.292 6.019 1.00 0.00 O ATOM 508 CB PRO A 39 -1.260 5.700 4.799 1.00 0.00 C ATOM 509 CG PRO A 39 -2.396 5.925 5.784 1.00 0.00 C ATOM 510 CD PRO A 39 -1.789 6.069 7.170 1.00 0.00 C ATOM 0 HA PRO A 39 0.818 5.370 5.293 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -1.385 6.320 3.911 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.234 4.663 4.463 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -2.959 6.820 5.519 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -3.095 5.089 5.758 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.088 7.007 7.638 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -2.115 5.266 7.831 1.00 0.00 H new ATOM 518 N HIS A 40 0.777 7.614 3.862 1.00 0.00 N ATOM 519 CA HIS A 40 1.295 8.872 3.353 1.00 0.00 C ATOM 520 C HIS A 40 1.389 8.807 1.826 1.00 0.00 C ATOM 521 O HIS A 40 1.195 7.748 1.233 1.00 0.00 O ATOM 522 CB HIS A 40 2.630 9.218 4.014 1.00 0.00 C ATOM 523 CG HIS A 40 3.769 8.312 3.610 1.00 0.00 C ATOM 524 ND1 HIS A 40 4.399 8.402 2.381 1.00 0.00 N ATOM 525 CD2 HIS A 40 4.384 7.297 4.283 1.00 0.00 C ATOM 526 CE1 HIS A 40 5.349 7.480 2.328 1.00 0.00 C ATOM 527 NE2 HIS A 40 5.337 6.796 3.508 1.00 0.00 N ATOM 0 H HIS A 40 0.602 6.905 3.150 1.00 0.00 H new ATOM 0 HA HIS A 40 0.610 9.681 3.607 1.00 0.00 H new ATOM 0 HB2 HIS A 40 2.891 10.246 3.765 1.00 0.00 H new ATOM 0 HB3 HIS A 40 2.510 9.173 5.096 1.00 0.00 H new ATOM 0 HD1 HIS A 40 4.171 9.066 1.641 1.00 0.00 H new ATOM 0 HD2 HIS A 40 4.137 6.959 5.278 1.00 0.00 H new ATOM 0 HE1 HIS A 40 6.015 7.302 1.497 1.00 0.00 H new ATOM 536 N LYS A 41 1.684 9.955 1.235 1.00 0.00 N ATOM 537 CA LYS A 41 1.805 10.043 -0.210 1.00 0.00 C ATOM 538 C LYS A 41 2.801 8.989 -0.699 1.00 0.00 C ATOM 539 O LYS A 41 3.515 8.387 0.101 1.00 0.00 O ATOM 540 CB LYS A 41 2.163 11.470 -0.632 1.00 0.00 C ATOM 541 CG LYS A 41 1.216 11.972 -1.725 1.00 0.00 C ATOM 542 CD LYS A 41 0.051 12.757 -1.122 1.00 0.00 C ATOM 543 CE LYS A 41 0.415 14.232 -0.947 1.00 0.00 C ATOM 544 NZ LYS A 41 1.558 14.377 -0.018 1.00 0.00 N ATOM 0 H LYS A 41 1.843 10.832 1.731 1.00 0.00 H new ATOM 0 HA LYS A 41 0.849 9.825 -0.686 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.111 12.133 0.232 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.191 11.499 -0.994 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.764 12.605 -2.423 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.833 11.126 -2.296 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.824 12.669 -1.766 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -0.220 12.329 -0.157 1.00 0.00 H new ATOM 0 HE2 LYS A 41 0.667 14.668 -1.914 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.445 14.782 -0.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 1.685 15.381 0.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.372 13.834 0.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 2.422 14.018 -0.472 1.00 0.00 H new ATOM 558 N TYR A 42 2.818 8.799 -2.010 1.00 0.00 N ATOM 559 CA TYR A 42 3.714 7.829 -2.615 1.00 0.00 C ATOM 560 C TYR A 42 3.915 8.121 -4.104 1.00 0.00 C ATOM 561 O TYR A 42 4.936 7.750 -4.680 1.00 0.00 O ATOM 562 CB TYR A 42 3.028 6.469 -2.463 1.00 0.00 C ATOM 563 CG TYR A 42 3.570 5.391 -3.402 1.00 0.00 C ATOM 564 CD1 TYR A 42 3.336 5.476 -4.759 1.00 0.00 C ATOM 565 CD2 TYR A 42 4.293 4.331 -2.892 1.00 0.00 C ATOM 566 CE1 TYR A 42 3.845 4.461 -5.645 1.00 0.00 C ATOM 567 CE2 TYR A 42 4.803 3.316 -3.777 1.00 0.00 C ATOM 568 CZ TYR A 42 4.554 3.431 -5.109 1.00 0.00 C ATOM 569 OH TYR A 42 5.036 2.471 -5.945 1.00 0.00 O ATOM 0 H TYR A 42 2.225 9.301 -2.671 1.00 0.00 H new ATOM 0 HA TYR A 42 4.693 7.860 -2.136 1.00 0.00 H new ATOM 0 HB2 TYR A 42 3.141 6.130 -1.433 1.00 0.00 H new ATOM 0 HB3 TYR A 42 1.960 6.590 -2.643 1.00 0.00 H new ATOM 0 HD1 TYR A 42 2.770 6.305 -5.158 1.00 0.00 H new ATOM 0 HD2 TYR A 42 4.476 4.263 -1.830 1.00 0.00 H new ATOM 0 HE1 TYR A 42 3.668 4.516 -6.709 1.00 0.00 H new ATOM 0 HE2 TYR A 42 5.371 2.482 -3.392 1.00 0.00 H new ATOM 0 HH TYR A 42 5.423 2.894 -6.740 1.00 0.00 H new ATOM 579 N ASN A 43 2.924 8.783 -4.683 1.00 0.00 N ATOM 580 CA ASN A 43 2.979 9.129 -6.093 1.00 0.00 C ATOM 581 C ASN A 43 3.290 7.874 -6.911 1.00 0.00 C ATOM 582 O ASN A 43 2.436 7.002 -7.065 1.00 0.00 O ATOM 583 CB ASN A 43 4.080 10.156 -6.366 1.00 0.00 C ATOM 584 CG ASN A 43 3.588 11.576 -6.081 1.00 0.00 C ATOM 585 OD1 ASN A 43 3.489 12.416 -6.961 1.00 0.00 O ATOM 586 ND2 ASN A 43 3.286 11.798 -4.804 1.00 0.00 N ATOM 0 H ASN A 43 2.079 9.089 -4.201 1.00 0.00 H new ATOM 0 HA ASN A 43 2.014 9.551 -6.374 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.949 9.937 -5.745 1.00 0.00 H new ATOM 0 HB3 ASN A 43 4.403 10.081 -7.404 1.00 0.00 H new ATOM 0 HD21 ASN A 43 2.949 12.715 -4.512 1.00 0.00 H new ATOM 0 HD22 ASN A 43 3.392 11.051 -4.118 1.00 0.00 H new ATOM 593 N ASN A 44 4.515 7.822 -7.412 1.00 0.00 N ATOM 594 CA ASN A 44 4.950 6.687 -8.209 1.00 0.00 C ATOM 595 C ASN A 44 6.061 7.136 -9.162 1.00 0.00 C ATOM 596 O ASN A 44 6.364 8.324 -9.252 1.00 0.00 O ATOM 597 CB ASN A 44 3.800 6.133 -9.052 1.00 0.00 C ATOM 598 CG ASN A 44 3.640 6.925 -10.351 1.00 0.00 C ATOM 599 OD1 ASN A 44 4.249 6.374 -11.398 1.00 0.00 O flip ATOM 600 ND2 ASN A 44 3.008 7.967 -10.400 1.00 0.00 N flip ATOM 0 H ASN A 44 5.220 8.547 -7.282 1.00 0.00 H new ATOM 0 HA ASN A 44 5.304 5.912 -7.529 1.00 0.00 H new ATOM 0 HB2 ASN A 44 3.986 5.084 -9.282 1.00 0.00 H new ATOM 0 HB3 ASN A 44 2.873 6.174 -8.480 1.00 0.00 H new ATOM 0 HD21 ASN A 44 2.565 8.335 -9.558 1.00 0.00 H new ATOM 0 HD22 ASN A 44 2.923 8.471 -11.283 1.00 0.00 H new ATOM 607 N TYR A 45 6.637 6.159 -9.847 1.00 0.00 N ATOM 608 CA TYR A 45 7.708 6.437 -10.789 1.00 0.00 C ATOM 609 C TYR A 45 8.354 5.142 -11.285 1.00 0.00 C ATOM 610 O TYR A 45 8.578 4.973 -12.482 1.00 0.00 O ATOM 611 CB TYR A 45 8.749 7.250 -10.018 1.00 0.00 C ATOM 612 CG TYR A 45 8.668 8.758 -10.262 1.00 0.00 C ATOM 613 CD1 TYR A 45 7.620 9.284 -10.990 1.00 0.00 C ATOM 614 CD2 TYR A 45 9.643 9.593 -9.755 1.00 0.00 C ATOM 615 CE1 TYR A 45 7.544 10.704 -11.220 1.00 0.00 C ATOM 616 CE2 TYR A 45 9.567 11.012 -9.985 1.00 0.00 C ATOM 617 CZ TYR A 45 8.521 11.497 -10.706 1.00 0.00 C ATOM 618 OH TYR A 45 8.449 12.838 -10.923 1.00 0.00 O ATOM 0 H TYR A 45 6.382 5.174 -9.769 1.00 0.00 H new ATOM 0 HA TYR A 45 7.323 6.969 -11.659 1.00 0.00 H new ATOM 0 HB2 TYR A 45 8.628 7.058 -8.952 1.00 0.00 H new ATOM 0 HB3 TYR A 45 9.744 6.901 -10.294 1.00 0.00 H new ATOM 0 HD1 TYR A 45 6.857 8.631 -11.387 1.00 0.00 H new ATOM 0 HD2 TYR A 45 10.463 9.182 -9.185 1.00 0.00 H new ATOM 0 HE1 TYR A 45 6.729 11.129 -11.788 1.00 0.00 H new ATOM 0 HE2 TYR A 45 10.323 11.676 -9.594 1.00 0.00 H new ATOM 0 HH TYR A 45 9.213 13.280 -10.497 1.00 0.00 H new ATOM 628 N GLU A 46 8.634 4.259 -10.337 1.00 0.00 N ATOM 629 CA GLU A 46 9.250 2.984 -10.661 1.00 0.00 C ATOM 630 C GLU A 46 8.582 2.369 -11.892 1.00 0.00 C ATOM 631 O GLU A 46 9.163 1.514 -12.558 1.00 0.00 O ATOM 632 CB GLU A 46 9.189 2.026 -9.469 1.00 0.00 C ATOM 633 CG GLU A 46 9.958 2.591 -8.273 1.00 0.00 C ATOM 634 CD GLU A 46 10.838 3.769 -8.693 1.00 0.00 C ATOM 635 OE1 GLU A 46 11.988 3.500 -9.104 1.00 0.00 O ATOM 636 OE2 GLU A 46 10.342 4.912 -8.593 1.00 0.00 O ATOM 0 H GLU A 46 8.445 4.402 -9.345 1.00 0.00 H new ATOM 0 HA GLU A 46 10.301 3.159 -10.891 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.150 1.853 -9.189 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.608 1.060 -9.752 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.256 2.913 -7.504 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.577 1.809 -7.832 1.00 0.00 H new ATOM 643 N GLY A 47 7.369 2.829 -12.160 1.00 0.00 N ATOM 644 CA GLY A 47 6.615 2.336 -13.299 1.00 0.00 C ATOM 645 C GLY A 47 5.433 1.476 -12.844 1.00 0.00 C ATOM 646 O GLY A 47 5.340 0.303 -13.204 1.00 0.00 O ATOM 0 H GLY A 47 6.889 3.539 -11.607 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.251 3.176 -13.890 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.268 1.750 -13.946 1.00 0.00 H new ATOM 650 N PHE A 48 4.561 2.092 -12.061 1.00 0.00 N ATOM 651 CA PHE A 48 3.390 1.397 -11.553 1.00 0.00 C ATOM 652 C PHE A 48 2.144 1.756 -12.365 1.00 0.00 C ATOM 653 O PHE A 48 1.928 2.921 -12.694 1.00 0.00 O ATOM 654 CB PHE A 48 3.191 1.855 -10.106 1.00 0.00 C ATOM 655 CG PHE A 48 4.255 1.336 -9.137 1.00 0.00 C ATOM 656 CD1 PHE A 48 4.162 0.075 -8.638 1.00 0.00 C ATOM 657 CD2 PHE A 48 5.293 2.136 -8.775 1.00 0.00 C ATOM 658 CE1 PHE A 48 5.149 -0.407 -7.738 1.00 0.00 C ATOM 659 CE2 PHE A 48 6.280 1.655 -7.876 1.00 0.00 C ATOM 660 CZ PHE A 48 6.188 0.393 -7.376 1.00 0.00 C ATOM 0 H PHE A 48 4.641 3.065 -11.765 1.00 0.00 H new ATOM 0 HA PHE A 48 3.538 0.319 -11.622 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.189 2.945 -10.078 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.210 1.525 -9.763 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.337 -0.560 -8.926 1.00 0.00 H new ATOM 0 HD2 PHE A 48 5.366 3.138 -9.172 1.00 0.00 H new ATOM 0 HE1 PHE A 48 5.075 -1.409 -7.341 1.00 0.00 H new ATOM 0 HE2 PHE A 48 7.104 2.291 -7.589 1.00 0.00 H new ATOM 0 HZ PHE A 48 6.939 0.027 -6.692 1.00 0.00 H new ATOM 670 N ASP A 49 1.358 0.733 -12.665 1.00 0.00 N ATOM 671 CA ASP A 49 0.139 0.927 -13.433 1.00 0.00 C ATOM 672 C ASP A 49 -1.032 1.149 -12.475 1.00 0.00 C ATOM 673 O ASP A 49 -1.941 0.324 -12.397 1.00 0.00 O ATOM 674 CB ASP A 49 -0.176 -0.304 -14.286 1.00 0.00 C ATOM 675 CG ASP A 49 1.046 -1.107 -14.737 1.00 0.00 C ATOM 676 OD1 ASP A 49 1.977 -0.469 -15.276 1.00 0.00 O ATOM 677 OD2 ASP A 49 1.022 -2.340 -14.534 1.00 0.00 O ATOM 0 H ASP A 49 1.541 -0.232 -12.391 1.00 0.00 H new ATOM 0 HA ASP A 49 0.284 1.790 -14.083 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.835 -0.961 -13.719 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.728 0.016 -15.170 1.00 0.00 H new ATOM 682 N PHE A 50 -0.974 2.269 -11.769 1.00 0.00 N ATOM 683 CA PHE A 50 -2.019 2.611 -10.819 1.00 0.00 C ATOM 684 C PHE A 50 -3.313 2.990 -11.540 1.00 0.00 C ATOM 685 O PHE A 50 -3.443 4.104 -12.046 1.00 0.00 O ATOM 686 CB PHE A 50 -1.520 3.817 -10.021 1.00 0.00 C ATOM 687 CG PHE A 50 -0.381 3.495 -9.052 1.00 0.00 C ATOM 688 CD1 PHE A 50 0.060 2.215 -8.922 1.00 0.00 C ATOM 689 CD2 PHE A 50 0.190 4.489 -8.320 1.00 0.00 C ATOM 690 CE1 PHE A 50 1.117 1.916 -8.023 1.00 0.00 C ATOM 691 CE2 PHE A 50 1.248 4.189 -7.421 1.00 0.00 C ATOM 692 CZ PHE A 50 1.689 2.910 -7.291 1.00 0.00 C ATOM 0 H PHE A 50 -0.219 2.952 -11.836 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.231 1.757 -10.175 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.185 4.586 -10.717 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -2.354 4.237 -9.459 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.394 1.426 -9.503 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.161 5.505 -8.422 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.467 0.900 -7.920 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.702 4.978 -6.840 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.493 2.683 -6.607 1.00 0.00 H new ATOM 702 N SER A 51 -4.239 2.043 -11.566 1.00 0.00 N ATOM 703 CA SER A 51 -5.519 2.265 -12.217 1.00 0.00 C ATOM 704 C SER A 51 -6.380 3.206 -11.372 1.00 0.00 C ATOM 705 O SER A 51 -7.607 3.180 -11.464 1.00 0.00 O ATOM 706 CB SER A 51 -6.253 0.943 -12.454 1.00 0.00 C ATOM 707 OG SER A 51 -6.609 0.304 -11.230 1.00 0.00 O ATOM 0 H SER A 51 -4.128 1.120 -11.147 1.00 0.00 H new ATOM 0 HA SER A 51 -5.334 2.726 -13.187 1.00 0.00 H new ATOM 0 HB2 SER A 51 -7.152 1.128 -13.042 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.620 0.277 -13.040 1.00 0.00 H new ATOM 0 HG SER A 51 -7.077 -0.535 -11.423 1.00 0.00 H new ATOM 713 N VAL A 52 -5.704 4.014 -10.570 1.00 0.00 N ATOM 714 CA VAL A 52 -6.392 4.963 -9.710 1.00 0.00 C ATOM 715 C VAL A 52 -5.801 6.358 -9.921 1.00 0.00 C ATOM 716 O VAL A 52 -4.614 6.495 -10.210 1.00 0.00 O ATOM 717 CB VAL A 52 -6.319 4.497 -8.254 1.00 0.00 C ATOM 718 CG1 VAL A 52 -6.824 3.059 -8.113 1.00 0.00 C ATOM 719 CG2 VAL A 52 -4.898 4.635 -7.705 1.00 0.00 C ATOM 0 H VAL A 52 -4.687 4.032 -10.497 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.450 5.016 -9.969 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.970 5.141 -7.663 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.762 2.752 -7.069 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -7.860 3.003 -8.446 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.210 2.396 -8.723 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.874 4.297 -6.669 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.217 4.027 -8.301 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.589 5.679 -7.753 1.00 0.00 H new ATOM 729 N SER A 53 -6.658 7.357 -9.769 1.00 0.00 N ATOM 730 CA SER A 53 -6.235 8.737 -9.939 1.00 0.00 C ATOM 731 C SER A 53 -5.645 9.269 -8.632 1.00 0.00 C ATOM 732 O SER A 53 -6.196 9.034 -7.558 1.00 0.00 O ATOM 733 CB SER A 53 -7.402 9.618 -10.393 1.00 0.00 C ATOM 734 OG SER A 53 -7.139 11.002 -10.183 1.00 0.00 O ATOM 0 H SER A 53 -7.643 7.239 -9.530 1.00 0.00 H new ATOM 0 HA SER A 53 -5.469 8.767 -10.714 1.00 0.00 H new ATOM 0 HB2 SER A 53 -7.598 9.443 -11.451 1.00 0.00 H new ATOM 0 HB3 SER A 53 -8.303 9.334 -9.850 1.00 0.00 H new ATOM 0 HG SER A 53 -7.906 11.531 -10.487 1.00 0.00 H new ATOM 740 N SER A 54 -4.533 9.976 -8.767 1.00 0.00 N ATOM 741 CA SER A 54 -3.863 10.543 -7.609 1.00 0.00 C ATOM 742 C SER A 54 -4.893 11.129 -6.643 1.00 0.00 C ATOM 743 O SER A 54 -6.055 11.314 -7.004 1.00 0.00 O ATOM 744 CB SER A 54 -2.857 11.618 -8.028 1.00 0.00 C ATOM 745 OG SER A 54 -3.357 12.436 -9.082 1.00 0.00 O ATOM 0 H SER A 54 -4.079 10.169 -9.660 1.00 0.00 H new ATOM 0 HA SER A 54 -3.316 9.746 -7.106 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.615 12.243 -7.168 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.930 11.142 -8.347 1.00 0.00 H new ATOM 0 HG SER A 54 -2.686 13.110 -9.319 1.00 0.00 H new ATOM 751 N PRO A 55 -4.420 11.411 -5.400 1.00 0.00 N ATOM 752 CA PRO A 55 -3.030 11.163 -5.053 1.00 0.00 C ATOM 753 C PRO A 55 -2.776 9.667 -4.848 1.00 0.00 C ATOM 754 O PRO A 55 -3.705 8.863 -4.906 1.00 0.00 O ATOM 755 CB PRO A 55 -2.784 11.985 -3.799 1.00 0.00 C ATOM 756 CG PRO A 55 -4.158 12.294 -3.226 1.00 0.00 C ATOM 757 CD PRO A 55 -5.191 11.974 -4.295 1.00 0.00 C ATOM 0 HA PRO A 55 -2.340 11.455 -5.845 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -2.177 11.432 -3.082 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.243 12.902 -4.033 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -4.340 11.701 -2.330 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -4.223 13.342 -2.934 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -5.933 11.265 -3.929 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -5.731 12.869 -4.604 1.00 0.00 H new ATOM 765 N TYR A 56 -1.514 9.342 -4.612 1.00 0.00 N ATOM 766 CA TYR A 56 -1.126 7.958 -4.397 1.00 0.00 C ATOM 767 C TYR A 56 -0.575 7.756 -2.984 1.00 0.00 C ATOM 768 O TYR A 56 0.546 8.166 -2.686 1.00 0.00 O ATOM 769 CB TYR A 56 -0.016 7.670 -5.411 1.00 0.00 C ATOM 770 CG TYR A 56 -0.487 7.675 -6.867 1.00 0.00 C ATOM 771 CD1 TYR A 56 -1.703 7.115 -7.201 1.00 0.00 C ATOM 772 CD2 TYR A 56 0.305 8.240 -7.845 1.00 0.00 C ATOM 773 CE1 TYR A 56 -2.145 7.120 -8.572 1.00 0.00 C ATOM 774 CE2 TYR A 56 -0.137 8.246 -9.216 1.00 0.00 C ATOM 775 CZ TYR A 56 -1.341 7.685 -9.511 1.00 0.00 C ATOM 776 OH TYR A 56 -1.759 7.689 -10.805 1.00 0.00 O ATOM 0 H TYR A 56 -0.747 10.013 -4.565 1.00 0.00 H new ATOM 0 HA TYR A 56 -1.983 7.296 -4.516 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.772 8.413 -5.292 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.425 6.699 -5.186 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -2.323 6.673 -6.435 1.00 0.00 H new ATOM 0 HD2 TYR A 56 1.257 8.678 -7.583 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -3.094 6.685 -8.848 1.00 0.00 H new ATOM 0 HE2 TYR A 56 0.473 8.685 -9.991 1.00 0.00 H new ATOM 0 HH TYR A 56 -2.672 7.337 -10.855 1.00 0.00 H new ATOM 786 N TYR A 57 -1.388 7.124 -2.151 1.00 0.00 N ATOM 787 CA TYR A 57 -0.997 6.862 -0.777 1.00 0.00 C ATOM 788 C TYR A 57 -0.335 5.489 -0.648 1.00 0.00 C ATOM 789 O TYR A 57 -0.714 4.545 -1.339 1.00 0.00 O ATOM 790 CB TYR A 57 -2.291 6.869 0.039 1.00 0.00 C ATOM 791 CG TYR A 57 -3.099 8.163 -0.087 1.00 0.00 C ATOM 792 CD1 TYR A 57 -2.482 9.323 -0.507 1.00 0.00 C ATOM 793 CD2 TYR A 57 -4.444 8.168 0.218 1.00 0.00 C ATOM 794 CE1 TYR A 57 -3.242 10.540 -0.626 1.00 0.00 C ATOM 795 CE2 TYR A 57 -5.205 9.385 0.099 1.00 0.00 C ATOM 796 CZ TYR A 57 -4.567 10.511 -0.317 1.00 0.00 C ATOM 797 OH TYR A 57 -5.285 11.660 -0.430 1.00 0.00 O ATOM 0 H TYR A 57 -2.317 6.785 -2.402 1.00 0.00 H new ATOM 0 HA TYR A 57 -0.282 7.609 -0.433 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.913 6.032 -0.278 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -2.047 6.705 1.089 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -1.429 9.318 -0.747 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -4.927 7.259 0.546 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -2.771 11.455 -0.953 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.259 9.403 0.335 1.00 0.00 H new ATOM 0 HH TYR A 57 -5.808 11.800 0.387 1.00 0.00 H new ATOM 807 N GLU A 58 0.644 5.421 0.243 1.00 0.00 N ATOM 808 CA GLU A 58 1.362 4.179 0.472 1.00 0.00 C ATOM 809 C GLU A 58 0.996 3.598 1.839 1.00 0.00 C ATOM 810 O GLU A 58 0.959 4.319 2.834 1.00 0.00 O ATOM 811 CB GLU A 58 2.874 4.391 0.353 1.00 0.00 C ATOM 812 CG GLU A 58 3.369 5.402 1.388 1.00 0.00 C ATOM 813 CD GLU A 58 3.472 4.763 2.775 1.00 0.00 C ATOM 814 OE1 GLU A 58 4.122 3.698 2.862 1.00 0.00 O ATOM 815 OE2 GLU A 58 2.899 5.353 3.716 1.00 0.00 O ATOM 0 H GLU A 58 0.956 6.206 0.815 1.00 0.00 H new ATOM 0 HA GLU A 58 1.066 3.464 -0.295 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.390 3.441 0.492 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.118 4.743 -0.650 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.344 5.787 1.088 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.688 6.252 1.425 1.00 0.00 H new ATOM 822 N TRP A 59 0.734 2.299 1.843 1.00 0.00 N ATOM 823 CA TRP A 59 0.371 1.613 3.072 1.00 0.00 C ATOM 824 C TRP A 59 0.707 0.129 2.901 1.00 0.00 C ATOM 825 O TRP A 59 0.509 -0.435 1.827 1.00 0.00 O ATOM 826 CB TRP A 59 -1.097 1.858 3.423 1.00 0.00 C ATOM 827 CG TRP A 59 -1.631 0.949 4.532 1.00 0.00 C ATOM 828 CD1 TRP A 59 -2.246 -0.235 4.404 1.00 0.00 C ATOM 829 CD2 TRP A 59 -1.573 1.200 5.953 1.00 0.00 C ATOM 830 NE1 TRP A 59 -2.586 -0.763 5.634 1.00 0.00 N ATOM 831 CE2 TRP A 59 -2.164 0.137 6.604 1.00 0.00 C ATOM 832 CE3 TRP A 59 -1.037 2.290 6.662 1.00 0.00 C ATOM 833 CZ2 TRP A 59 -2.276 0.059 7.998 1.00 0.00 C ATOM 834 CZ3 TRP A 59 -1.158 2.196 8.054 1.00 0.00 C ATOM 835 CH2 TRP A 59 -1.750 1.133 8.726 1.00 0.00 C ATOM 0 H TRP A 59 0.766 1.704 1.015 1.00 0.00 H new ATOM 0 HA TRP A 59 0.940 2.004 3.916 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -1.218 2.897 3.729 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.703 1.716 2.528 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -2.450 -0.715 3.458 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -3.060 -1.651 5.800 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -0.570 3.132 6.172 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -2.743 -0.784 8.485 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -0.763 3.007 8.648 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -1.804 1.136 9.805 1.00 0.00 H new ATOM 846 N PRO A 60 1.220 -0.475 4.006 1.00 0.00 N ATOM 847 CA PRO A 60 1.584 -1.881 3.988 1.00 0.00 C ATOM 848 C PRO A 60 0.340 -2.769 4.039 1.00 0.00 C ATOM 849 O PRO A 60 -0.670 -2.398 4.634 1.00 0.00 O ATOM 850 CB PRO A 60 2.496 -2.067 5.190 1.00 0.00 C ATOM 851 CG PRO A 60 2.238 -0.873 6.097 1.00 0.00 C ATOM 852 CD PRO A 60 1.468 0.163 5.296 1.00 0.00 C ATOM 0 HA PRO A 60 2.094 -2.172 3.070 1.00 0.00 H new ATOM 0 HB2 PRO A 60 2.278 -3.003 5.705 1.00 0.00 H new ATOM 0 HB3 PRO A 60 3.542 -2.107 4.885 1.00 0.00 H new ATOM 0 HG2 PRO A 60 1.668 -1.177 6.975 1.00 0.00 H new ATOM 0 HG3 PRO A 60 3.179 -0.456 6.456 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.535 0.432 5.791 1.00 0.00 H new ATOM 0 HD3 PRO A 60 2.044 1.081 5.179 1.00 0.00 H new ATOM 860 N ILE A 61 0.453 -3.928 3.406 1.00 0.00 N ATOM 861 CA ILE A 61 -0.650 -4.874 3.370 1.00 0.00 C ATOM 862 C ILE A 61 -0.259 -6.135 4.143 1.00 0.00 C ATOM 863 O ILE A 61 0.674 -6.837 3.759 1.00 0.00 O ATOM 864 CB ILE A 61 -1.079 -5.143 1.927 1.00 0.00 C ATOM 865 CG1 ILE A 61 -2.321 -6.035 1.882 1.00 0.00 C ATOM 866 CG2 ILE A 61 0.076 -5.729 1.112 1.00 0.00 C ATOM 867 CD1 ILE A 61 -2.620 -6.488 0.451 1.00 0.00 C ATOM 0 H ILE A 61 1.292 -4.234 2.914 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.527 -4.456 3.864 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.348 -4.192 1.468 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.170 -6.907 2.519 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.178 -5.492 2.282 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.256 -5.911 0.090 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.909 -5.026 1.104 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.399 -6.668 1.561 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.508 -7.121 0.448 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.794 -5.615 -0.178 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.771 -7.051 0.063 1.00 0.00 H new ATOM 879 N LEU A 62 -0.994 -6.384 5.217 1.00 0.00 N ATOM 880 CA LEU A 62 -0.736 -7.549 6.046 1.00 0.00 C ATOM 881 C LEU A 62 -1.415 -8.773 5.426 1.00 0.00 C ATOM 882 O LEU A 62 -2.632 -8.787 5.247 1.00 0.00 O ATOM 883 CB LEU A 62 -1.155 -7.280 7.493 1.00 0.00 C ATOM 884 CG LEU A 62 -0.413 -6.151 8.207 1.00 0.00 C ATOM 885 CD1 LEU A 62 -0.997 -5.905 9.601 1.00 0.00 C ATOM 886 CD2 LEU A 62 1.091 -6.428 8.258 1.00 0.00 C ATOM 0 H LEU A 62 -1.768 -5.799 5.532 1.00 0.00 H new ATOM 0 HA LEU A 62 0.332 -7.762 6.082 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.221 -7.052 7.505 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.019 -8.197 8.066 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.553 -5.235 7.632 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.451 -5.097 10.087 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.048 -5.630 9.512 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.909 -6.813 10.198 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.595 -5.609 8.771 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.272 -7.359 8.796 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.480 -6.514 7.243 1.00 0.00 H new ATOM 898 N SER A 63 -0.598 -9.768 5.114 1.00 0.00 N ATOM 899 CA SER A 63 -1.105 -10.991 4.517 1.00 0.00 C ATOM 900 C SER A 63 -2.159 -11.622 5.430 1.00 0.00 C ATOM 901 O SER A 63 -2.895 -12.514 5.012 1.00 0.00 O ATOM 902 CB SER A 63 0.028 -11.985 4.250 1.00 0.00 C ATOM 903 OG SER A 63 0.867 -12.155 5.389 1.00 0.00 O ATOM 0 H SER A 63 0.411 -9.752 5.263 1.00 0.00 H new ATOM 0 HA SER A 63 -1.565 -10.739 3.561 1.00 0.00 H new ATOM 0 HB2 SER A 63 -0.394 -12.948 3.964 1.00 0.00 H new ATOM 0 HB3 SER A 63 0.626 -11.636 3.408 1.00 0.00 H new ATOM 0 HG SER A 63 1.577 -12.798 5.180 1.00 0.00 H new ATOM 909 N SER A 64 -2.197 -11.134 6.662 1.00 0.00 N ATOM 910 CA SER A 64 -3.148 -11.638 7.638 1.00 0.00 C ATOM 911 C SER A 64 -4.498 -10.940 7.462 1.00 0.00 C ATOM 912 O SER A 64 -5.520 -11.429 7.940 1.00 0.00 O ATOM 913 CB SER A 64 -2.630 -11.442 9.064 1.00 0.00 C ATOM 914 OG SER A 64 -1.206 -11.451 9.121 1.00 0.00 O ATOM 0 H SER A 64 -1.584 -10.395 7.006 1.00 0.00 H new ATOM 0 HA SER A 64 -3.275 -12.708 7.471 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.003 -10.497 9.458 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.023 -12.232 9.704 1.00 0.00 H new ATOM 0 HG SER A 64 -0.915 -11.321 10.048 1.00 0.00 H new ATOM 920 N GLY A 65 -4.457 -9.808 6.776 1.00 0.00 N ATOM 921 CA GLY A 65 -5.665 -9.038 6.531 1.00 0.00 C ATOM 922 C GLY A 65 -5.961 -8.098 7.701 1.00 0.00 C ATOM 923 O GLY A 65 -7.122 -7.853 8.027 1.00 0.00 O ATOM 0 H GLY A 65 -3.607 -9.405 6.382 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -5.552 -8.459 5.614 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -6.507 -9.713 6.380 1.00 0.00 H new ATOM 927 N ASP A 66 -4.892 -7.596 8.302 1.00 0.00 N ATOM 928 CA ASP A 66 -5.023 -6.688 9.429 1.00 0.00 C ATOM 929 C ASP A 66 -4.572 -5.289 9.007 1.00 0.00 C ATOM 930 O ASP A 66 -4.281 -5.054 7.835 1.00 0.00 O ATOM 931 CB ASP A 66 -4.146 -7.134 10.601 1.00 0.00 C ATOM 932 CG ASP A 66 -4.644 -8.376 11.344 1.00 0.00 C ATOM 933 OD1 ASP A 66 -5.072 -9.321 10.648 1.00 0.00 O ATOM 934 OD2 ASP A 66 -4.584 -8.351 12.593 1.00 0.00 O ATOM 0 H ASP A 66 -3.931 -7.801 8.029 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.068 -6.686 9.740 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.140 -7.330 10.229 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.068 -6.311 11.311 1.00 0.00 H new ATOM 939 N VAL A 67 -4.528 -4.396 9.984 1.00 0.00 N ATOM 940 CA VAL A 67 -4.117 -3.026 9.729 1.00 0.00 C ATOM 941 C VAL A 67 -2.700 -2.815 10.264 1.00 0.00 C ATOM 942 O VAL A 67 -2.495 -2.732 11.474 1.00 0.00 O ATOM 943 CB VAL A 67 -5.135 -2.053 10.330 1.00 0.00 C ATOM 944 CG1 VAL A 67 -4.552 -0.642 10.427 1.00 0.00 C ATOM 945 CG2 VAL A 67 -6.436 -2.055 9.526 1.00 0.00 C ATOM 0 H VAL A 67 -4.770 -4.595 10.955 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.092 -2.828 8.657 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.366 -2.391 11.340 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.295 0.030 10.857 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.666 -0.657 11.062 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.279 -0.292 9.431 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.142 -1.356 9.974 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.229 -1.754 8.499 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.865 -3.057 9.531 1.00 0.00 H new ATOM 955 N TYR A 68 -1.756 -2.734 9.337 1.00 0.00 N ATOM 956 CA TYR A 68 -0.364 -2.534 9.700 1.00 0.00 C ATOM 957 C TYR A 68 -0.232 -1.488 10.809 1.00 0.00 C ATOM 958 O TYR A 68 -0.506 -0.309 10.589 1.00 0.00 O ATOM 959 CB TYR A 68 0.330 -2.017 8.439 1.00 0.00 C ATOM 960 CG TYR A 68 1.432 -0.992 8.713 1.00 0.00 C ATOM 961 CD1 TYR A 68 2.586 -1.376 9.367 1.00 0.00 C ATOM 962 CD2 TYR A 68 1.273 0.318 8.306 1.00 0.00 C ATOM 963 CE1 TYR A 68 3.623 -0.410 9.625 1.00 0.00 C ATOM 964 CE2 TYR A 68 2.311 1.283 8.564 1.00 0.00 C ATOM 965 CZ TYR A 68 3.435 0.871 9.211 1.00 0.00 C ATOM 966 OH TYR A 68 4.413 1.782 9.454 1.00 0.00 O ATOM 0 H TYR A 68 -1.929 -2.803 8.334 1.00 0.00 H new ATOM 0 HA TYR A 68 0.075 -3.462 10.067 1.00 0.00 H new ATOM 0 HB2 TYR A 68 0.759 -2.862 7.900 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -0.416 -1.567 7.784 1.00 0.00 H new ATOM 0 HD1 TYR A 68 2.711 -2.401 9.685 1.00 0.00 H new ATOM 0 HD2 TYR A 68 0.371 0.619 7.794 1.00 0.00 H new ATOM 0 HE1 TYR A 68 4.530 -0.697 10.136 1.00 0.00 H new ATOM 0 HE2 TYR A 68 2.200 2.311 8.251 1.00 0.00 H new ATOM 0 HH TYR A 68 4.113 2.407 10.146 1.00 0.00 H new ATOM 976 N SER A 69 0.189 -1.957 11.973 1.00 0.00 N ATOM 977 CA SER A 69 0.362 -1.076 13.116 1.00 0.00 C ATOM 978 C SER A 69 1.845 -0.756 13.311 1.00 0.00 C ATOM 979 O SER A 69 2.287 0.355 13.023 1.00 0.00 O ATOM 980 CB SER A 69 -0.218 -1.702 14.387 1.00 0.00 C ATOM 981 OG SER A 69 0.286 -3.015 14.611 1.00 0.00 O ATOM 0 H SER A 69 0.416 -2.936 12.150 1.00 0.00 H new ATOM 0 HA SER A 69 -0.180 -0.151 12.919 1.00 0.00 H new ATOM 0 HB2 SER A 69 0.020 -1.071 15.243 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.305 -1.739 14.310 1.00 0.00 H new ATOM 0 HG SER A 69 -0.106 -3.380 15.432 1.00 0.00 H new ATOM 987 N GLY A 70 2.573 -1.749 13.799 1.00 0.00 N ATOM 988 CA GLY A 70 3.998 -1.587 14.036 1.00 0.00 C ATOM 989 C GLY A 70 4.718 -1.146 12.760 1.00 0.00 C ATOM 990 O GLY A 70 4.634 -1.815 11.732 1.00 0.00 O ATOM 0 H GLY A 70 2.203 -2.669 14.037 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.158 -0.849 14.822 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.421 -2.527 14.390 1.00 0.00 H new ATOM 994 N GLY A 71 5.412 -0.023 12.870 1.00 0.00 N ATOM 995 CA GLY A 71 6.147 0.516 11.738 1.00 0.00 C ATOM 996 C GLY A 71 7.291 -0.415 11.335 1.00 0.00 C ATOM 997 O GLY A 71 8.462 -0.053 11.450 1.00 0.00 O ATOM 0 H GLY A 71 5.481 0.529 13.725 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.472 0.655 10.894 1.00 0.00 H new ATOM 0 HA3 GLY A 71 6.545 1.498 11.993 1.00 0.00 H new ATOM 1001 N SER A 72 6.914 -1.597 10.869 1.00 0.00 N ATOM 1002 CA SER A 72 7.894 -2.582 10.447 1.00 0.00 C ATOM 1003 C SER A 72 7.318 -3.445 9.323 1.00 0.00 C ATOM 1004 O SER A 72 7.413 -4.671 9.365 1.00 0.00 O ATOM 1005 CB SER A 72 8.330 -3.462 11.621 1.00 0.00 C ATOM 1006 OG SER A 72 9.660 -3.948 11.458 1.00 0.00 O ATOM 0 H SER A 72 5.943 -1.894 10.775 1.00 0.00 H new ATOM 0 HA SER A 72 8.773 -2.054 10.077 1.00 0.00 H new ATOM 0 HB2 SER A 72 8.264 -2.891 12.547 1.00 0.00 H new ATOM 0 HB3 SER A 72 7.645 -4.305 11.717 1.00 0.00 H new ATOM 0 HG SER A 72 9.902 -4.504 12.228 1.00 0.00 H new ATOM 1012 N PRO A 73 6.719 -2.754 8.318 1.00 0.00 N ATOM 1013 CA PRO A 73 6.126 -3.444 7.183 1.00 0.00 C ATOM 1014 C PRO A 73 7.207 -3.959 6.231 1.00 0.00 C ATOM 1015 O PRO A 73 7.301 -5.160 5.984 1.00 0.00 O ATOM 1016 CB PRO A 73 5.205 -2.422 6.538 1.00 0.00 C ATOM 1017 CG PRO A 73 5.662 -1.066 7.051 1.00 0.00 C ATOM 1018 CD PRO A 73 6.587 -1.302 8.233 1.00 0.00 C ATOM 0 HA PRO A 73 5.568 -4.334 7.476 1.00 0.00 H new ATOM 0 HB2 PRO A 73 5.269 -2.470 5.451 1.00 0.00 H new ATOM 0 HB3 PRO A 73 4.165 -2.610 6.805 1.00 0.00 H new ATOM 0 HG2 PRO A 73 6.180 -0.515 6.265 1.00 0.00 H new ATOM 0 HG3 PRO A 73 4.805 -0.463 7.351 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.555 -0.825 8.079 1.00 0.00 H new ATOM 0 HD3 PRO A 73 6.170 -0.888 9.151 1.00 0.00 H new ATOM 1026 N GLY A 74 7.996 -3.025 5.720 1.00 0.00 N ATOM 1027 CA GLY A 74 9.067 -3.369 4.800 1.00 0.00 C ATOM 1028 C GLY A 74 8.814 -4.732 4.151 1.00 0.00 C ATOM 1029 O GLY A 74 9.200 -5.764 4.697 1.00 0.00 O ATOM 0 H GLY A 74 7.915 -2.029 5.926 1.00 0.00 H new ATOM 0 HA2 GLY A 74 9.148 -2.604 4.028 1.00 0.00 H new ATOM 0 HA3 GLY A 74 10.018 -3.386 5.333 1.00 0.00 H new ATOM 1033 N ALA A 75 8.168 -4.690 2.996 1.00 0.00 N ATOM 1034 CA ALA A 75 7.861 -5.909 2.267 1.00 0.00 C ATOM 1035 C ALA A 75 6.576 -5.705 1.461 1.00 0.00 C ATOM 1036 O ALA A 75 6.626 -5.356 0.283 1.00 0.00 O ATOM 1037 CB ALA A 75 7.754 -7.077 3.247 1.00 0.00 C ATOM 0 H ALA A 75 7.849 -3.832 2.547 1.00 0.00 H new ATOM 0 HA ALA A 75 8.659 -6.147 1.563 1.00 0.00 H new ATOM 0 HB1 ALA A 75 7.524 -7.991 2.700 1.00 0.00 H new ATOM 0 HB2 ALA A 75 8.701 -7.198 3.774 1.00 0.00 H new ATOM 0 HB3 ALA A 75 6.961 -6.876 3.968 1.00 0.00 H new ATOM 1043 N ASP A 76 5.454 -5.931 2.129 1.00 0.00 N ATOM 1044 CA ASP A 76 4.158 -5.777 1.491 1.00 0.00 C ATOM 1045 C ASP A 76 3.636 -4.361 1.743 1.00 0.00 C ATOM 1046 O ASP A 76 3.641 -3.885 2.878 1.00 0.00 O ATOM 1047 CB ASP A 76 3.140 -6.764 2.064 1.00 0.00 C ATOM 1048 CG ASP A 76 3.561 -8.234 2.005 1.00 0.00 C ATOM 1049 OD1 ASP A 76 4.168 -8.609 0.979 1.00 0.00 O ATOM 1050 OD2 ASP A 76 3.267 -8.949 2.987 1.00 0.00 O ATOM 0 H ASP A 76 5.416 -6.220 3.107 1.00 0.00 H new ATOM 0 HA ASP A 76 4.283 -5.967 0.425 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.945 -6.499 3.103 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.201 -6.649 1.523 1.00 0.00 H new ATOM 1055 N ARG A 77 3.198 -3.726 0.665 1.00 0.00 N ATOM 1056 CA ARG A 77 2.672 -2.373 0.755 1.00 0.00 C ATOM 1057 C ARG A 77 1.646 -2.127 -0.353 1.00 0.00 C ATOM 1058 O ARG A 77 1.857 -2.522 -1.498 1.00 0.00 O ATOM 1059 CB ARG A 77 3.794 -1.339 0.641 1.00 0.00 C ATOM 1060 CG ARG A 77 4.722 -1.400 1.855 1.00 0.00 C ATOM 1061 CD ARG A 77 4.400 -0.281 2.848 1.00 0.00 C ATOM 1062 NE ARG A 77 5.602 0.547 3.086 1.00 0.00 N ATOM 1063 CZ ARG A 77 6.741 0.084 3.620 1.00 0.00 C ATOM 1064 NH1 ARG A 77 6.838 -1.204 3.975 1.00 0.00 N ATOM 1065 NH2 ARG A 77 7.782 0.909 3.798 1.00 0.00 N ATOM 0 H ARG A 77 3.196 -4.123 -0.275 1.00 0.00 H new ATOM 0 HA ARG A 77 2.192 -2.267 1.728 1.00 0.00 H new ATOM 0 HB2 ARG A 77 4.367 -1.518 -0.269 1.00 0.00 H new ATOM 0 HB3 ARG A 77 3.366 -0.340 0.556 1.00 0.00 H new ATOM 0 HG2 ARG A 77 4.621 -2.368 2.347 1.00 0.00 H new ATOM 0 HG3 ARG A 77 5.759 -1.315 1.529 1.00 0.00 H new ATOM 0 HD2 ARG A 77 3.592 0.339 2.460 1.00 0.00 H new ATOM 0 HD3 ARG A 77 4.050 -0.708 3.788 1.00 0.00 H new ATOM 0 HE ARG A 77 5.562 1.533 2.827 1.00 0.00 H new ATOM 0 HH11 ARG A 77 6.046 -1.832 3.839 1.00 0.00 H new ATOM 0 HH12 ARG A 77 7.704 -1.557 4.381 1.00 0.00 H new ATOM 0 HH21 ARG A 77 7.708 1.890 3.527 1.00 0.00 H new ATOM 0 HH22 ARG A 77 8.649 0.556 4.204 1.00 0.00 H new ATOM 1079 N VAL A 78 0.557 -1.477 0.029 1.00 0.00 N ATOM 1080 CA VAL A 78 -0.503 -1.175 -0.918 1.00 0.00 C ATOM 1081 C VAL A 78 -0.603 0.342 -1.099 1.00 0.00 C ATOM 1082 O VAL A 78 -0.679 1.083 -0.120 1.00 0.00 O ATOM 1083 CB VAL A 78 -1.817 -1.808 -0.454 1.00 0.00 C ATOM 1084 CG1 VAL A 78 -1.866 -1.912 1.072 1.00 0.00 C ATOM 1085 CG2 VAL A 78 -3.020 -1.030 -0.990 1.00 0.00 C ATOM 0 H VAL A 78 0.386 -1.151 0.980 1.00 0.00 H new ATOM 0 HA VAL A 78 -0.276 -1.606 -1.893 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.864 -2.818 -0.860 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -2.810 -2.365 1.376 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.038 -2.529 1.421 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.785 -0.916 1.507 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.941 -1.501 -0.646 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -2.980 -0.003 -0.627 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.998 -1.031 -2.080 1.00 0.00 H new ATOM 1095 N VAL A 79 -0.597 0.757 -2.357 1.00 0.00 N ATOM 1096 CA VAL A 79 -0.685 2.171 -2.679 1.00 0.00 C ATOM 1097 C VAL A 79 -2.113 2.503 -3.117 1.00 0.00 C ATOM 1098 O VAL A 79 -2.729 1.742 -3.862 1.00 0.00 O ATOM 1099 CB VAL A 79 0.364 2.535 -3.732 1.00 0.00 C ATOM 1100 CG1 VAL A 79 0.169 3.970 -4.226 1.00 0.00 C ATOM 1101 CG2 VAL A 79 1.779 2.328 -3.191 1.00 0.00 C ATOM 0 H VAL A 79 -0.533 0.139 -3.166 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.466 2.777 -1.800 1.00 0.00 H new ATOM 0 HB VAL A 79 0.231 1.867 -4.583 1.00 0.00 H new ATOM 0 HG11 VAL A 79 0.927 4.204 -4.973 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.821 4.071 -4.670 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.262 4.659 -3.387 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.505 2.594 -3.959 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.930 2.959 -2.315 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.913 1.283 -2.912 1.00 0.00 H new ATOM 1111 N PHE A 80 -2.597 3.638 -2.635 1.00 0.00 N ATOM 1112 CA PHE A 80 -3.941 4.079 -2.968 1.00 0.00 C ATOM 1113 C PHE A 80 -4.054 5.603 -2.886 1.00 0.00 C ATOM 1114 O PHE A 80 -3.211 6.259 -2.276 1.00 0.00 O ATOM 1115 CB PHE A 80 -4.885 3.454 -1.939 1.00 0.00 C ATOM 1116 CG PHE A 80 -4.862 4.144 -0.573 1.00 0.00 C ATOM 1117 CD1 PHE A 80 -3.752 4.067 0.209 1.00 0.00 C ATOM 1118 CD2 PHE A 80 -5.951 4.835 -0.142 1.00 0.00 C ATOM 1119 CE1 PHE A 80 -3.730 4.707 1.477 1.00 0.00 C ATOM 1120 CE2 PHE A 80 -5.929 5.476 1.125 1.00 0.00 C ATOM 1121 CZ PHE A 80 -4.820 5.398 1.908 1.00 0.00 C ATOM 0 H PHE A 80 -2.083 4.265 -2.017 1.00 0.00 H new ATOM 0 HA PHE A 80 -4.190 3.777 -3.985 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -5.902 3.480 -2.331 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -4.621 2.405 -1.809 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -2.887 3.519 -0.134 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -6.832 4.896 -0.763 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -2.849 4.645 2.098 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -6.793 6.026 1.467 1.00 0.00 H new ATOM 0 HZ PHE A 80 -4.804 5.885 2.872 1.00 0.00 H new ATOM 1131 N ASN A 81 -5.102 6.121 -3.509 1.00 0.00 N ATOM 1132 CA ASN A 81 -5.335 7.555 -3.514 1.00 0.00 C ATOM 1133 C ASN A 81 -6.497 7.882 -2.575 1.00 0.00 C ATOM 1134 O ASN A 81 -6.353 7.807 -1.355 1.00 0.00 O ATOM 1135 CB ASN A 81 -5.709 8.047 -4.915 1.00 0.00 C ATOM 1136 CG ASN A 81 -7.211 8.312 -5.021 1.00 0.00 C ATOM 1137 OD1 ASN A 81 -7.665 9.442 -5.102 1.00 0.00 O ATOM 1138 ND2 ASN A 81 -7.957 7.210 -5.016 1.00 0.00 N ATOM 0 H ASN A 81 -5.799 5.574 -4.014 1.00 0.00 H new ATOM 0 HA ASN A 81 -4.417 8.046 -3.190 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -5.158 8.960 -5.143 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -5.414 7.304 -5.656 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -8.972 7.281 -5.083 1.00 0.00 H new ATOM 1145 N GLU A 82 -7.623 8.235 -3.176 1.00 0.00 N ATOM 1146 CA GLU A 82 -8.809 8.574 -2.408 1.00 0.00 C ATOM 1147 C GLU A 82 -8.947 7.637 -1.206 1.00 0.00 C ATOM 1148 O GLU A 82 -8.894 8.081 -0.060 1.00 0.00 O ATOM 1149 CB GLU A 82 -10.062 8.529 -3.285 1.00 0.00 C ATOM 1150 CG GLU A 82 -11.326 8.719 -2.445 1.00 0.00 C ATOM 1151 CD GLU A 82 -12.580 8.394 -3.259 1.00 0.00 C ATOM 1152 OE1 GLU A 82 -12.617 7.278 -3.821 1.00 0.00 O ATOM 1153 OE2 GLU A 82 -13.473 9.268 -3.300 1.00 0.00 O ATOM 0 H GLU A 82 -7.740 8.294 -4.188 1.00 0.00 H new ATOM 0 HA GLU A 82 -8.701 9.594 -2.039 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.006 9.308 -4.046 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -10.109 7.574 -3.809 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -11.282 8.076 -1.566 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -11.377 9.747 -2.086 1.00 0.00 H new ATOM 1160 N ASN A 83 -9.122 6.359 -1.509 1.00 0.00 N ATOM 1161 CA ASN A 83 -9.268 5.357 -0.468 1.00 0.00 C ATOM 1162 C ASN A 83 -9.068 3.966 -1.074 1.00 0.00 C ATOM 1163 O ASN A 83 -8.013 3.358 -0.905 1.00 0.00 O ATOM 1164 CB ASN A 83 -10.667 5.406 0.152 1.00 0.00 C ATOM 1165 CG ASN A 83 -11.709 5.833 -0.882 1.00 0.00 C ATOM 1166 OD1 ASN A 83 -11.347 5.608 -2.142 1.00 0.00 O flip ATOM 1167 ND2 ASN A 83 -12.774 6.334 -0.558 1.00 0.00 N flip ATOM 0 H ASN A 83 -9.166 5.995 -2.461 1.00 0.00 H new ATOM 0 HA ASN A 83 -8.525 5.561 0.303 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -10.926 4.426 0.552 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -10.673 6.103 0.990 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -12.990 6.479 0.428 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -13.448 6.607 -1.273 1.00 0.00 H new ATOM 1174 N ASN A 84 -10.098 3.503 -1.767 1.00 0.00 N ATOM 1175 CA ASN A 84 -10.050 2.196 -2.398 1.00 0.00 C ATOM 1176 C ASN A 84 -9.393 2.323 -3.774 1.00 0.00 C ATOM 1177 O ASN A 84 -9.600 1.480 -4.645 1.00 0.00 O ATOM 1178 CB ASN A 84 -11.455 1.626 -2.595 1.00 0.00 C ATOM 1179 CG ASN A 84 -12.104 2.195 -3.859 1.00 0.00 C ATOM 1180 OD1 ASN A 84 -12.101 1.587 -4.917 1.00 0.00 O ATOM 1181 ND2 ASN A 84 -12.662 3.390 -3.690 1.00 0.00 N ATOM 0 H ASN A 84 -10.972 4.011 -1.905 1.00 0.00 H new ATOM 0 HA ASN A 84 -9.480 1.530 -1.750 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -11.404 0.539 -2.665 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -12.072 1.861 -1.728 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -13.123 3.853 -4.473 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -12.629 3.844 -2.777 1.00 0.00 H new ATOM 1188 N GLN A 85 -8.615 3.384 -3.927 1.00 0.00 N ATOM 1189 CA GLN A 85 -7.926 3.633 -5.183 1.00 0.00 C ATOM 1190 C GLN A 85 -6.620 2.839 -5.239 1.00 0.00 C ATOM 1191 O GLN A 85 -5.638 3.294 -5.824 1.00 0.00 O ATOM 1192 CB GLN A 85 -7.669 5.128 -5.380 1.00 0.00 C ATOM 1193 CG GLN A 85 -7.960 5.909 -4.096 1.00 0.00 C ATOM 1194 CD GLN A 85 -7.304 5.239 -2.887 1.00 0.00 C ATOM 1195 OE1 GLN A 85 -6.403 5.773 -2.262 1.00 0.00 O ATOM 1196 NE2 GLN A 85 -7.806 4.043 -2.593 1.00 0.00 N ATOM 0 H GLN A 85 -8.446 4.082 -3.202 1.00 0.00 H new ATOM 0 HA GLN A 85 -8.566 3.298 -5.999 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -6.633 5.286 -5.679 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.295 5.505 -6.189 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -7.591 6.930 -4.195 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -9.037 5.973 -3.941 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -8.561 3.654 -3.158 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -7.436 3.515 -1.802 1.00 0.00 H new ATOM 1205 N LEU A 86 -6.650 1.668 -4.622 1.00 0.00 N ATOM 1206 CA LEU A 86 -5.481 0.806 -4.594 1.00 0.00 C ATOM 1207 C LEU A 86 -4.658 1.029 -5.865 1.00 0.00 C ATOM 1208 O LEU A 86 -5.112 0.721 -6.965 1.00 0.00 O ATOM 1209 CB LEU A 86 -5.892 -0.651 -4.377 1.00 0.00 C ATOM 1210 CG LEU A 86 -5.259 -1.676 -5.321 1.00 0.00 C ATOM 1211 CD1 LEU A 86 -4.008 -2.296 -4.698 1.00 0.00 C ATOM 1212 CD2 LEU A 86 -6.278 -2.737 -5.740 1.00 0.00 C ATOM 0 H LEU A 86 -7.466 1.295 -4.137 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.841 1.061 -3.749 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.644 -0.929 -3.353 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.976 -0.720 -4.472 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.943 -1.158 -6.226 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.578 -3.021 -5.390 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.278 -1.513 -4.492 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.275 -2.797 -3.767 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.803 -3.453 -6.411 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.646 -3.257 -4.856 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -7.112 -2.258 -6.253 1.00 0.00 H new ATOM 1224 N ALA A 87 -3.461 1.563 -5.670 1.00 0.00 N ATOM 1225 CA ALA A 87 -2.570 1.831 -6.786 1.00 0.00 C ATOM 1226 C ALA A 87 -2.025 0.507 -7.328 1.00 0.00 C ATOM 1227 O ALA A 87 -1.858 0.348 -8.536 1.00 0.00 O ATOM 1228 CB ALA A 87 -1.457 2.778 -6.336 1.00 0.00 C ATOM 0 H ALA A 87 -3.087 1.817 -4.756 1.00 0.00 H new ATOM 0 HA ALA A 87 -3.108 2.323 -7.596 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.789 2.979 -7.174 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -1.894 3.714 -5.988 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -0.893 2.317 -5.525 1.00 0.00 H new ATOM 1234 N GLY A 88 -1.763 -0.409 -6.407 1.00 0.00 N ATOM 1235 CA GLY A 88 -1.241 -1.713 -6.777 1.00 0.00 C ATOM 1236 C GLY A 88 -0.814 -2.504 -5.539 1.00 0.00 C ATOM 1237 O GLY A 88 -1.409 -2.361 -4.471 1.00 0.00 O ATOM 0 H GLY A 88 -1.903 -0.274 -5.406 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -2.001 -2.271 -7.325 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -0.390 -1.591 -7.447 1.00 0.00 H new ATOM 1241 N VAL A 89 0.212 -3.322 -5.722 1.00 0.00 N ATOM 1242 CA VAL A 89 0.724 -4.136 -4.633 1.00 0.00 C ATOM 1243 C VAL A 89 2.254 -4.144 -4.684 1.00 0.00 C ATOM 1244 O VAL A 89 2.855 -5.057 -5.246 1.00 0.00 O ATOM 1245 CB VAL A 89 0.117 -5.539 -4.698 1.00 0.00 C ATOM 1246 CG1 VAL A 89 0.683 -6.432 -3.592 1.00 0.00 C ATOM 1247 CG2 VAL A 89 -1.410 -5.479 -4.627 1.00 0.00 C ATOM 0 H VAL A 89 0.703 -3.438 -6.609 1.00 0.00 H new ATOM 0 HA VAL A 89 0.432 -3.714 -3.671 1.00 0.00 H new ATOM 0 HB VAL A 89 0.390 -5.979 -5.657 1.00 0.00 H new ATOM 0 HG11 VAL A 89 0.235 -7.424 -3.660 1.00 0.00 H new ATOM 0 HG12 VAL A 89 1.764 -6.513 -3.707 1.00 0.00 H new ATOM 0 HG13 VAL A 89 0.453 -5.996 -2.620 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.816 -6.489 -4.675 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.713 -5.010 -3.691 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -1.791 -4.895 -5.465 1.00 0.00 H new ATOM 1257 N ILE A 90 2.839 -3.115 -4.089 1.00 0.00 N ATOM 1258 CA ILE A 90 4.286 -2.991 -4.058 1.00 0.00 C ATOM 1259 C ILE A 90 4.842 -3.836 -2.910 1.00 0.00 C ATOM 1260 O ILE A 90 4.098 -4.246 -2.020 1.00 0.00 O ATOM 1261 CB ILE A 90 4.697 -1.520 -3.995 1.00 0.00 C ATOM 1262 CG1 ILE A 90 4.491 -0.952 -2.588 1.00 0.00 C ATOM 1263 CG2 ILE A 90 3.963 -0.698 -5.057 1.00 0.00 C ATOM 1264 CD1 ILE A 90 4.190 0.546 -2.640 1.00 0.00 C ATOM 0 H ILE A 90 2.336 -2.359 -3.624 1.00 0.00 H new ATOM 0 HA ILE A 90 4.721 -3.379 -4.979 1.00 0.00 H new ATOM 0 HB ILE A 90 5.762 -1.455 -4.217 1.00 0.00 H new ATOM 0 HG12 ILE A 90 3.670 -1.475 -2.098 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.384 -1.126 -1.987 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.274 0.344 -4.990 1.00 0.00 H new ATOM 0 HG22 ILE A 90 4.203 -1.085 -6.047 1.00 0.00 H new ATOM 0 HG23 ILE A 90 2.888 -0.767 -4.892 1.00 0.00 H new ATOM 0 HD11 ILE A 90 4.048 0.924 -1.628 1.00 0.00 H new ATOM 0 HD12 ILE A 90 5.024 1.069 -3.109 1.00 0.00 H new ATOM 0 HD13 ILE A 90 3.283 0.715 -3.221 1.00 0.00 H new ATOM 1276 N THR A 91 6.145 -4.070 -2.966 1.00 0.00 N ATOM 1277 CA THR A 91 6.809 -4.857 -1.941 1.00 0.00 C ATOM 1278 C THR A 91 8.312 -4.576 -1.944 1.00 0.00 C ATOM 1279 O THR A 91 8.858 -4.108 -2.941 1.00 0.00 O ATOM 1280 CB THR A 91 6.465 -6.329 -2.180 1.00 0.00 C ATOM 1281 OG1 THR A 91 7.487 -7.040 -1.486 1.00 0.00 O ATOM 1282 CG2 THR A 91 6.649 -6.744 -3.641 1.00 0.00 C ATOM 0 H THR A 91 6.759 -3.728 -3.706 1.00 0.00 H new ATOM 0 HA THR A 91 6.461 -4.584 -0.945 1.00 0.00 H new ATOM 0 HB THR A 91 5.435 -6.515 -1.877 1.00 0.00 H new ATOM 0 HG1 THR A 91 7.417 -6.858 -0.525 1.00 0.00 H new ATOM 0 HG21 THR A 91 6.392 -7.797 -3.755 1.00 0.00 H new ATOM 0 HG22 THR A 91 5.999 -6.141 -4.275 1.00 0.00 H new ATOM 0 HG23 THR A 91 7.687 -6.590 -3.935 1.00 0.00 H new ATOM 1290 N HIS A 92 8.940 -4.873 -0.815 1.00 0.00 N ATOM 1291 CA HIS A 92 10.370 -4.658 -0.674 1.00 0.00 C ATOM 1292 C HIS A 92 11.129 -5.812 -1.334 1.00 0.00 C ATOM 1293 O HIS A 92 12.338 -5.724 -1.543 1.00 0.00 O ATOM 1294 CB HIS A 92 10.748 -4.463 0.796 1.00 0.00 C ATOM 1295 CG HIS A 92 10.272 -3.156 1.383 1.00 0.00 C ATOM 1296 ND1 HIS A 92 11.069 -2.363 2.189 1.00 0.00 N ATOM 1297 CD2 HIS A 92 9.075 -2.513 1.272 1.00 0.00 C ATOM 1298 CE1 HIS A 92 10.372 -1.293 2.544 1.00 0.00 C ATOM 1299 NE2 HIS A 92 9.136 -1.388 1.975 1.00 0.00 N ATOM 0 H HIS A 92 8.484 -5.261 0.011 1.00 0.00 H new ATOM 0 HA HIS A 92 10.656 -3.740 -1.187 1.00 0.00 H new ATOM 0 HB2 HIS A 92 10.333 -5.285 1.380 1.00 0.00 H new ATOM 0 HB3 HIS A 92 11.832 -4.520 0.893 1.00 0.00 H new ATOM 0 HD2 HIS A 92 8.222 -2.860 0.708 1.00 0.00 H new ATOM 0 HE1 HIS A 92 10.721 -0.488 3.173 1.00 0.00 H new ATOM 0 HE2 HIS A 92 8.383 -0.707 2.073 1.00 0.00 H new ATOM 1308 N THR A 93 10.389 -6.866 -1.643 1.00 0.00 N ATOM 1309 CA THR A 93 10.978 -8.035 -2.274 1.00 0.00 C ATOM 1310 C THR A 93 12.115 -7.620 -3.210 1.00 0.00 C ATOM 1311 O THR A 93 11.869 -7.128 -4.310 1.00 0.00 O ATOM 1312 CB THR A 93 9.859 -8.803 -2.981 1.00 0.00 C ATOM 1313 OG1 THR A 93 9.426 -9.754 -2.011 1.00 0.00 O ATOM 1314 CG2 THR A 93 10.378 -9.660 -4.137 1.00 0.00 C ATOM 0 H THR A 93 9.386 -6.935 -1.468 1.00 0.00 H new ATOM 0 HA THR A 93 11.432 -8.697 -1.536 1.00 0.00 H new ATOM 0 HB THR A 93 9.115 -8.100 -3.356 1.00 0.00 H new ATOM 0 HG1 THR A 93 8.699 -10.295 -2.385 1.00 0.00 H new ATOM 0 HG21 THR A 93 9.544 -10.184 -4.604 1.00 0.00 H new ATOM 0 HG22 THR A 93 10.864 -9.021 -4.874 1.00 0.00 H new ATOM 0 HG23 THR A 93 11.096 -10.387 -3.757 1.00 0.00 H new ATOM 1322 N GLY A 94 13.334 -7.832 -2.737 1.00 0.00 N ATOM 1323 CA GLY A 94 14.509 -7.487 -3.518 1.00 0.00 C ATOM 1324 C GLY A 94 14.267 -6.222 -4.344 1.00 0.00 C ATOM 1325 O GLY A 94 14.681 -6.141 -5.499 1.00 0.00 O ATOM 0 H GLY A 94 13.533 -8.238 -1.823 1.00 0.00 H new ATOM 0 HA2 GLY A 94 15.360 -7.335 -2.854 1.00 0.00 H new ATOM 0 HA3 GLY A 94 14.766 -8.314 -4.180 1.00 0.00 H new ATOM 1329 N ALA A 95 13.596 -5.266 -3.719 1.00 0.00 N ATOM 1330 CA ALA A 95 13.294 -4.008 -4.381 1.00 0.00 C ATOM 1331 C ALA A 95 14.589 -3.220 -4.585 1.00 0.00 C ATOM 1332 O ALA A 95 14.717 -2.094 -4.105 1.00 0.00 O ATOM 1333 CB ALA A 95 12.263 -3.233 -3.559 1.00 0.00 C ATOM 0 H ALA A 95 13.253 -5.337 -2.761 1.00 0.00 H new ATOM 0 HA ALA A 95 12.859 -4.187 -5.364 1.00 0.00 H new ATOM 0 HB1 ALA A 95 12.037 -2.289 -4.056 1.00 0.00 H new ATOM 0 HB2 ALA A 95 11.351 -3.824 -3.469 1.00 0.00 H new ATOM 0 HB3 ALA A 95 12.665 -3.033 -2.566 1.00 0.00 H new ATOM 1339 N SER A 96 15.515 -3.841 -5.299 1.00 0.00 N ATOM 1340 CA SER A 96 16.796 -3.212 -5.572 1.00 0.00 C ATOM 1341 C SER A 96 17.167 -2.263 -4.431 1.00 0.00 C ATOM 1342 O SER A 96 17.773 -1.217 -4.661 1.00 0.00 O ATOM 1343 CB SER A 96 16.765 -2.456 -6.903 1.00 0.00 C ATOM 1344 OG SER A 96 18.034 -2.464 -7.551 1.00 0.00 O ATOM 0 H SER A 96 15.404 -4.774 -5.697 1.00 0.00 H new ATOM 0 HA SER A 96 17.552 -3.993 -5.646 1.00 0.00 H new ATOM 0 HB2 SER A 96 16.020 -2.907 -7.559 1.00 0.00 H new ATOM 0 HB3 SER A 96 16.454 -1.426 -6.728 1.00 0.00 H new ATOM 0 HG SER A 96 17.972 -1.973 -8.397 1.00 0.00 H new ATOM 1350 N GLY A 97 16.789 -2.662 -3.226 1.00 0.00 N ATOM 1351 CA GLY A 97 17.075 -1.860 -2.049 1.00 0.00 C ATOM 1352 C GLY A 97 15.819 -1.674 -1.194 1.00 0.00 C ATOM 1353 O GLY A 97 15.149 -2.646 -0.849 1.00 0.00 O ATOM 0 H GLY A 97 16.287 -3.530 -3.039 1.00 0.00 H new ATOM 0 HA2 GLY A 97 17.854 -2.341 -1.457 1.00 0.00 H new ATOM 0 HA3 GLY A 97 17.460 -0.887 -2.353 1.00 0.00 H new ATOM 1357 N ASN A 98 15.538 -0.419 -0.875 1.00 0.00 N ATOM 1358 CA ASN A 98 14.376 -0.094 -0.068 1.00 0.00 C ATOM 1359 C ASN A 98 13.237 0.363 -0.982 1.00 0.00 C ATOM 1360 O ASN A 98 12.157 0.710 -0.507 1.00 0.00 O ATOM 1361 CB ASN A 98 14.683 1.044 0.908 1.00 0.00 C ATOM 1362 CG ASN A 98 13.401 1.578 1.551 1.00 0.00 C ATOM 1363 OD1 ASN A 98 12.496 0.639 1.811 1.00 0.00 O flip ATOM 1364 ND2 ASN A 98 13.245 2.763 1.792 1.00 0.00 N flip ATOM 0 H ASN A 98 16.096 0.385 -1.162 1.00 0.00 H new ATOM 0 HA ASN A 98 14.096 -0.985 0.493 1.00 0.00 H new ATOM 0 HB2 ASN A 98 15.362 0.689 1.683 1.00 0.00 H new ATOM 0 HB3 ASN A 98 15.193 1.851 0.382 1.00 0.00 H new ATOM 0 HD21 ASN A 98 13.982 3.431 1.566 1.00 0.00 H new ATOM 0 HD22 ASN A 98 12.377 3.087 2.220 1.00 0.00 H new ATOM 1371 N ASN A 99 13.517 0.347 -2.277 1.00 0.00 N ATOM 1372 CA ASN A 99 12.530 0.755 -3.262 1.00 0.00 C ATOM 1373 C ASN A 99 11.330 -0.191 -3.196 1.00 0.00 C ATOM 1374 O ASN A 99 11.320 -1.133 -2.405 1.00 0.00 O ATOM 1375 CB ASN A 99 13.105 0.692 -4.678 1.00 0.00 C ATOM 1376 CG ASN A 99 12.897 -0.694 -5.294 1.00 0.00 C ATOM 1377 OD1 ASN A 99 11.861 -1.319 -5.141 1.00 0.00 O ATOM 1378 ND2 ASN A 99 13.936 -1.135 -5.995 1.00 0.00 N ATOM 0 H ASN A 99 14.414 0.058 -2.667 1.00 0.00 H new ATOM 0 HA ASN A 99 12.235 1.780 -3.039 1.00 0.00 H new ATOM 0 HB2 ASN A 99 12.627 1.447 -5.302 1.00 0.00 H new ATOM 0 HB3 ASN A 99 14.169 0.927 -4.653 1.00 0.00 H new ATOM 0 HD21 ASN A 99 13.896 -2.049 -6.446 1.00 0.00 H new ATOM 0 HD22 ASN A 99 14.773 -0.559 -6.083 1.00 0.00 H new ATOM 1385 N PHE A 100 10.347 0.090 -4.039 1.00 0.00 N ATOM 1386 CA PHE A 100 9.145 -0.723 -4.087 1.00 0.00 C ATOM 1387 C PHE A 100 8.910 -1.273 -5.496 1.00 0.00 C ATOM 1388 O PHE A 100 9.444 -0.742 -6.469 1.00 0.00 O ATOM 1389 CB PHE A 100 7.975 0.184 -3.705 1.00 0.00 C ATOM 1390 CG PHE A 100 7.824 0.405 -2.198 1.00 0.00 C ATOM 1391 CD1 PHE A 100 7.581 -0.650 -1.377 1.00 0.00 C ATOM 1392 CD2 PHE A 100 7.935 1.658 -1.681 1.00 0.00 C ATOM 1393 CE1 PHE A 100 7.443 -0.444 0.021 1.00 0.00 C ATOM 1394 CE2 PHE A 100 7.796 1.864 -0.283 1.00 0.00 C ATOM 1395 CZ PHE A 100 7.553 0.808 0.539 1.00 0.00 C ATOM 0 H PHE A 100 10.359 0.871 -4.695 1.00 0.00 H new ATOM 0 HA PHE A 100 9.242 -1.569 -3.407 1.00 0.00 H new ATOM 0 HB2 PHE A 100 8.104 1.150 -4.192 1.00 0.00 H new ATOM 0 HB3 PHE A 100 7.052 -0.248 -4.093 1.00 0.00 H new ATOM 0 HD1 PHE A 100 7.493 -1.645 -1.788 1.00 0.00 H new ATOM 0 HD2 PHE A 100 8.129 2.496 -2.334 1.00 0.00 H new ATOM 0 HE1 PHE A 100 7.250 -1.283 0.673 1.00 0.00 H new ATOM 0 HE2 PHE A 100 7.883 2.859 0.128 1.00 0.00 H new ATOM 0 HZ PHE A 100 7.448 0.964 1.602 1.00 0.00 H new ATOM 1405 N VAL A 101 8.112 -2.328 -5.560 1.00 0.00 N ATOM 1406 CA VAL A 101 7.801 -2.955 -6.834 1.00 0.00 C ATOM 1407 C VAL A 101 6.525 -3.786 -6.689 1.00 0.00 C ATOM 1408 O VAL A 101 6.374 -4.537 -5.726 1.00 0.00 O ATOM 1409 CB VAL A 101 8.997 -3.775 -7.320 1.00 0.00 C ATOM 1410 CG1 VAL A 101 10.246 -2.899 -7.449 1.00 0.00 C ATOM 1411 CG2 VAL A 101 9.256 -4.967 -6.397 1.00 0.00 C ATOM 0 H VAL A 101 7.671 -2.765 -4.751 1.00 0.00 H new ATOM 0 HA VAL A 101 7.612 -2.199 -7.596 1.00 0.00 H new ATOM 0 HB VAL A 101 8.757 -4.164 -8.309 1.00 0.00 H new ATOM 0 HG11 VAL A 101 11.082 -3.506 -7.796 1.00 0.00 H new ATOM 0 HG12 VAL A 101 10.057 -2.099 -8.165 1.00 0.00 H new ATOM 0 HG13 VAL A 101 10.490 -2.467 -6.478 1.00 0.00 H new ATOM 0 HG21 VAL A 101 10.111 -5.533 -6.765 1.00 0.00 H new ATOM 0 HG22 VAL A 101 9.465 -4.608 -5.389 1.00 0.00 H new ATOM 0 HG23 VAL A 101 8.376 -5.610 -6.378 1.00 0.00 H new ATOM 1421 N GLU A 102 5.638 -3.625 -7.661 1.00 0.00 N ATOM 1422 CA GLU A 102 4.380 -4.352 -7.654 1.00 0.00 C ATOM 1423 C GLU A 102 4.634 -5.851 -7.481 1.00 0.00 C ATOM 1424 O GLU A 102 5.393 -6.448 -8.243 1.00 0.00 O ATOM 1425 CB GLU A 102 3.580 -4.075 -8.927 1.00 0.00 C ATOM 1426 CG GLU A 102 4.500 -3.640 -10.069 1.00 0.00 C ATOM 1427 CD GLU A 102 3.864 -3.937 -11.429 1.00 0.00 C ATOM 1428 OE1 GLU A 102 3.053 -4.886 -11.481 1.00 0.00 O ATOM 1429 OE2 GLU A 102 4.206 -3.209 -12.386 1.00 0.00 O ATOM 0 H GLU A 102 5.766 -3.002 -8.458 1.00 0.00 H new ATOM 0 HA GLU A 102 3.787 -4.004 -6.809 1.00 0.00 H new ATOM 0 HB2 GLU A 102 3.032 -4.971 -9.218 1.00 0.00 H new ATOM 0 HB3 GLU A 102 2.841 -3.297 -8.734 1.00 0.00 H new ATOM 0 HG2 GLU A 102 4.709 -2.573 -9.986 1.00 0.00 H new ATOM 0 HG3 GLU A 102 5.455 -4.159 -9.989 1.00 0.00 H new ATOM 1436 N CYS A 103 3.984 -6.416 -6.474 1.00 0.00 N ATOM 1437 CA CYS A 103 4.129 -7.834 -6.193 1.00 0.00 C ATOM 1438 C CYS A 103 3.830 -8.613 -7.475 1.00 0.00 C ATOM 1439 O CYS A 103 3.678 -8.022 -8.543 1.00 0.00 O ATOM 1440 CB CYS A 103 3.233 -8.276 -5.034 1.00 0.00 C ATOM 1441 SG CYS A 103 3.520 -7.389 -3.460 1.00 0.00 S ATOM 0 H CYS A 103 3.356 -5.918 -5.843 1.00 0.00 H new ATOM 0 HA CYS A 103 5.151 -8.040 -5.875 1.00 0.00 H new ATOM 0 HB2 CYS A 103 2.192 -8.141 -5.326 1.00 0.00 H new ATOM 0 HB3 CYS A 103 3.381 -9.343 -4.866 1.00 0.00 H new ATOM 0 HG CYS A 103 2.745 -7.879 -2.538 1.00 0.00 H new ATOM 1446 N THR A 104 3.753 -9.928 -7.327 1.00 0.00 N ATOM 1447 CA THR A 104 3.474 -10.793 -8.460 1.00 0.00 C ATOM 1448 C THR A 104 2.072 -11.396 -8.339 1.00 0.00 C ATOM 1449 O THR A 104 1.135 -10.716 -7.924 1.00 0.00 O ATOM 1450 CB THR A 104 4.583 -11.845 -8.536 1.00 0.00 C ATOM 1451 OG1 THR A 104 4.413 -12.614 -7.349 1.00 0.00 O ATOM 1452 CG2 THR A 104 5.978 -11.236 -8.389 1.00 0.00 C ATOM 0 H THR A 104 3.879 -10.415 -6.440 1.00 0.00 H new ATOM 0 HA THR A 104 3.473 -10.232 -9.395 1.00 0.00 H new ATOM 0 HB THR A 104 4.517 -12.375 -9.486 1.00 0.00 H new ATOM 0 HG1 THR A 104 4.581 -12.049 -6.566 1.00 0.00 H new ATOM 0 HG21 THR A 104 6.728 -12.025 -8.450 1.00 0.00 H new ATOM 0 HG22 THR A 104 6.146 -10.513 -9.188 1.00 0.00 H new ATOM 0 HG23 THR A 104 6.056 -10.735 -7.424 1.00 0.00 H new