USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 452 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 37 THR OG1 : rot 128:sc= -0.165 USER MOD Set 1.2: A 39 ASN :FLIP amide:sc= -0.221 F(o=-3.2!,f=-0.39) USER MOD Set 2.1: A 24 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Set 2.2: A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.00353 USER MOD Single : A 13 MET CE :methyl 160:sc= -0.468 (180deg=-1.01) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.063 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -166:sc= -0.145 (180deg=-0.404) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= -0.459 X(o=-0.46,f=-0.00022) USER MOD Single : A 35 CYS SG : rot -53:sc= -6.46! USER MOD Single : A 40 CYS SG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 85:sc= 1.24 USER MOD Single : A 48 ASN :FLIP amide:sc= 0.127 F(o=-2.7!,f=0.13) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 SER OG : rot 140:sc= -0.655 USER MOD Single : A 53 ASN : amide:sc= -0.166 X(o=-0.17,f=-0.17) USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 59 MET CE :methyl -142:sc= -0.489 (180deg=-3.62!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= -0.316 USER MOD Single : A 66 ASN : amide:sc=-0.00886 K(o=-0.0089,f=-0.97) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot -116:sc= -0.0104 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot -16:sc= 0.581 USER MOD Single : A 92 ASN : amide:sc= -0.0127 X(o=-0.013,f=0) USER MOD Single : A 97 TYR OH : rot 130:sc= -0.576 USER MOD Single : A 98 TYR OH : rot 174:sc= -0.516 USER MOD ----------------------------------------------------------------- ATOM 11 N LEU A 6 10.656 -9.097 1.096 1.00 0.00 N ATOM 12 CA LEU A 6 9.961 -7.819 1.193 1.00 0.00 C ATOM 13 C LEU A 6 10.391 -6.888 0.065 1.00 0.00 C ATOM 14 O LEU A 6 9.575 -6.155 -0.495 1.00 0.00 O ATOM 15 CB LEU A 6 10.241 -7.163 2.547 1.00 0.00 C ATOM 16 CG LEU A 6 9.055 -7.135 3.513 1.00 0.00 C ATOM 17 CD1 LEU A 6 9.530 -6.880 4.936 1.00 0.00 C ATOM 18 CD2 LEU A 6 8.046 -6.079 3.091 1.00 0.00 C ATOM 0 HA LEU A 6 8.891 -8.004 1.104 1.00 0.00 H new ATOM 0 HB2 LEU A 6 11.066 -7.691 3.025 1.00 0.00 H new ATOM 0 HB3 LEU A 6 10.574 -6.139 2.375 1.00 0.00 H new ATOM 0 HG LEU A 6 8.566 -8.109 3.483 1.00 0.00 H new ATOM 0 HD11 LEU A 6 8.672 -6.864 5.608 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.214 -7.673 5.239 1.00 0.00 H new ATOM 0 HD13 LEU A 6 10.045 -5.920 4.981 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.210 -6.075 3.790 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.524 -5.099 3.090 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.680 -6.305 2.089 1.00 0.00 H new ATOM 28 N GLY A 7 11.679 -6.929 -0.265 1.00 0.00 N ATOM 29 CA GLY A 7 12.202 -6.090 -1.327 1.00 0.00 C ATOM 30 C GLY A 7 11.751 -6.549 -2.701 1.00 0.00 C ATOM 31 O GLY A 7 11.317 -5.739 -3.520 1.00 0.00 O ATOM 0 H GLY A 7 12.370 -7.529 0.185 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.879 -5.061 -1.166 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.291 -6.092 -1.285 1.00 0.00 H new ATOM 35 N ALA A 8 11.852 -7.852 -2.949 1.00 0.00 N ATOM 36 CA ALA A 8 11.447 -8.422 -4.229 1.00 0.00 C ATOM 37 C ALA A 8 9.957 -8.216 -4.467 1.00 0.00 C ATOM 38 O ALA A 8 9.546 -7.777 -5.541 1.00 0.00 O ATOM 39 CB ALA A 8 11.797 -9.901 -4.283 1.00 0.00 C ATOM 0 H ALA A 8 12.211 -8.533 -2.280 1.00 0.00 H new ATOM 0 HA ALA A 8 11.990 -7.907 -5.021 1.00 0.00 H new ATOM 0 HB1 ALA A 8 11.489 -10.313 -5.244 1.00 0.00 H new ATOM 0 HB2 ALA A 8 12.873 -10.025 -4.163 1.00 0.00 H new ATOM 0 HB3 ALA A 8 11.280 -10.427 -3.480 1.00 0.00 H new ATOM 45 N LEU A 9 9.151 -8.529 -3.454 1.00 0.00 N ATOM 46 CA LEU A 9 7.707 -8.366 -3.551 1.00 0.00 C ATOM 47 C LEU A 9 7.360 -6.919 -3.872 1.00 0.00 C ATOM 48 O LEU A 9 6.510 -6.646 -4.718 1.00 0.00 O ATOM 49 CB LEU A 9 7.031 -8.792 -2.247 1.00 0.00 C ATOM 50 CG LEU A 9 5.502 -8.775 -2.277 1.00 0.00 C ATOM 51 CD1 LEU A 9 4.952 -10.193 -2.309 1.00 0.00 C ATOM 52 CD2 LEU A 9 4.957 -8.019 -1.076 1.00 0.00 C ATOM 0 H LEU A 9 9.475 -8.896 -2.559 1.00 0.00 H new ATOM 0 HA LEU A 9 7.341 -9.003 -4.357 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.363 -9.799 -1.995 1.00 0.00 H new ATOM 0 HB3 LEU A 9 7.371 -8.134 -1.447 1.00 0.00 H new ATOM 0 HG LEU A 9 5.180 -8.262 -3.184 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.863 -10.160 -2.330 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.317 -10.705 -3.199 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.282 -10.731 -1.420 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.868 -8.016 -1.112 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.288 -8.506 -0.159 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.324 -6.993 -1.095 1.00 0.00 H new ATOM 62 N TYR A 10 8.040 -5.999 -3.197 1.00 0.00 N ATOM 63 CA TYR A 10 7.827 -4.575 -3.412 1.00 0.00 C ATOM 64 C TYR A 10 8.138 -4.214 -4.862 1.00 0.00 C ATOM 65 O TYR A 10 7.434 -3.417 -5.483 1.00 0.00 O ATOM 66 CB TYR A 10 8.708 -3.763 -2.456 1.00 0.00 C ATOM 67 CG TYR A 10 8.824 -2.297 -2.811 1.00 0.00 C ATOM 68 CD1 TYR A 10 7.886 -1.378 -2.359 1.00 0.00 C ATOM 69 CD2 TYR A 10 9.872 -1.834 -3.596 1.00 0.00 C ATOM 70 CE1 TYR A 10 7.991 -0.037 -2.679 1.00 0.00 C ATOM 71 CE2 TYR A 10 9.985 -0.496 -3.919 1.00 0.00 C ATOM 72 CZ TYR A 10 9.042 0.399 -3.459 1.00 0.00 C ATOM 73 OH TYR A 10 9.150 1.731 -3.780 1.00 0.00 O ATOM 0 H TYR A 10 8.746 -6.217 -2.494 1.00 0.00 H new ATOM 0 HA TYR A 10 6.783 -4.336 -3.210 1.00 0.00 H new ATOM 0 HB2 TYR A 10 8.305 -3.850 -1.447 1.00 0.00 H new ATOM 0 HB3 TYR A 10 9.706 -4.201 -2.440 1.00 0.00 H new ATOM 0 HD1 TYR A 10 7.062 -1.716 -1.748 1.00 0.00 H new ATOM 0 HD2 TYR A 10 10.611 -2.532 -3.960 1.00 0.00 H new ATOM 0 HE1 TYR A 10 7.254 0.666 -2.320 1.00 0.00 H new ATOM 0 HE2 TYR A 10 10.808 -0.152 -4.529 1.00 0.00 H new ATOM 0 HH TYR A 10 9.946 1.870 -4.334 1.00 0.00 H new ATOM 81 N LEU A 11 9.200 -4.815 -5.391 1.00 0.00 N ATOM 82 CA LEU A 11 9.612 -4.571 -6.766 1.00 0.00 C ATOM 83 C LEU A 11 8.554 -5.077 -7.740 1.00 0.00 C ATOM 84 O LEU A 11 8.372 -4.519 -8.821 1.00 0.00 O ATOM 85 CB LEU A 11 10.955 -5.249 -7.045 1.00 0.00 C ATOM 86 CG LEU A 11 12.175 -4.332 -6.948 1.00 0.00 C ATOM 87 CD1 LEU A 11 13.286 -5.007 -6.160 1.00 0.00 C ATOM 88 CD2 LEU A 11 12.662 -3.947 -8.337 1.00 0.00 C ATOM 0 H LEU A 11 9.791 -5.475 -4.886 1.00 0.00 H new ATOM 0 HA LEU A 11 9.725 -3.496 -6.906 1.00 0.00 H new ATOM 0 HB2 LEU A 11 11.082 -6.073 -6.343 1.00 0.00 H new ATOM 0 HB3 LEU A 11 10.925 -5.684 -8.044 1.00 0.00 H new ATOM 0 HG LEU A 11 11.884 -3.423 -6.421 1.00 0.00 H new ATOM 0 HD11 LEU A 11 14.147 -4.341 -6.101 1.00 0.00 H new ATOM 0 HD12 LEU A 11 12.933 -5.234 -5.154 1.00 0.00 H new ATOM 0 HD13 LEU A 11 13.577 -5.931 -6.659 1.00 0.00 H new ATOM 0 HD21 LEU A 11 13.531 -3.294 -8.250 1.00 0.00 H new ATOM 0 HD22 LEU A 11 12.937 -4.846 -8.888 1.00 0.00 H new ATOM 0 HD23 LEU A 11 11.867 -3.424 -8.869 1.00 0.00 H new ATOM 98 N SER A 12 7.851 -6.134 -7.343 1.00 0.00 N ATOM 99 CA SER A 12 6.803 -6.713 -8.174 1.00 0.00 C ATOM 100 C SER A 12 5.630 -5.748 -8.301 1.00 0.00 C ATOM 101 O SER A 12 5.070 -5.577 -9.384 1.00 0.00 O ATOM 102 CB SER A 12 6.325 -8.041 -7.583 1.00 0.00 C ATOM 103 OG SER A 12 7.406 -8.770 -7.024 1.00 0.00 O ATOM 0 H SER A 12 7.989 -6.607 -6.450 1.00 0.00 H new ATOM 0 HA SER A 12 7.215 -6.898 -9.166 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.574 -7.852 -6.816 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.844 -8.636 -8.359 1.00 0.00 H new ATOM 0 HG SER A 12 7.074 -9.613 -6.652 1.00 0.00 H new ATOM 107 N MET A 13 5.271 -5.113 -7.189 1.00 0.00 N ATOM 108 CA MET A 13 4.171 -4.156 -7.178 1.00 0.00 C ATOM 109 C MET A 13 4.521 -2.935 -8.021 1.00 0.00 C ATOM 110 O MET A 13 3.646 -2.300 -8.611 1.00 0.00 O ATOM 111 CB MET A 13 3.848 -3.720 -5.746 1.00 0.00 C ATOM 112 CG MET A 13 3.987 -4.832 -4.719 1.00 0.00 C ATOM 113 SD MET A 13 4.141 -4.207 -3.035 1.00 0.00 S ATOM 114 CE MET A 13 2.477 -3.615 -2.738 1.00 0.00 C ATOM 0 H MET A 13 5.726 -5.244 -6.285 1.00 0.00 H new ATOM 0 HA MET A 13 3.294 -4.643 -7.603 1.00 0.00 H new ATOM 0 HB2 MET A 13 4.508 -2.898 -5.469 1.00 0.00 H new ATOM 0 HB3 MET A 13 2.829 -3.335 -5.715 1.00 0.00 H new ATOM 0 HG2 MET A 13 3.119 -5.489 -4.781 1.00 0.00 H new ATOM 0 HG3 MET A 13 4.862 -5.436 -4.960 1.00 0.00 H new ATOM 0 HE1 MET A 13 2.307 -3.531 -1.665 1.00 0.00 H new ATOM 0 HE2 MET A 13 2.350 -2.637 -3.203 1.00 0.00 H new ATOM 0 HE3 MET A 13 1.760 -4.316 -3.166 1.00 0.00 H new ATOM 120 N LYS A 14 5.812 -2.613 -8.068 1.00 0.00 N ATOM 121 CA LYS A 14 6.293 -1.467 -8.832 1.00 0.00 C ATOM 122 C LYS A 14 6.082 -1.675 -10.328 1.00 0.00 C ATOM 123 O LYS A 14 6.125 -0.722 -11.106 1.00 0.00 O ATOM 124 CB LYS A 14 7.779 -1.236 -8.552 1.00 0.00 C ATOM 125 CG LYS A 14 8.046 -0.398 -7.312 1.00 0.00 C ATOM 126 CD LYS A 14 9.044 0.717 -7.595 1.00 0.00 C ATOM 127 CE LYS A 14 10.431 0.164 -7.884 1.00 0.00 C ATOM 128 NZ LYS A 14 11.479 1.218 -7.797 1.00 0.00 N ATOM 0 H LYS A 14 6.545 -3.132 -7.584 1.00 0.00 H new ATOM 0 HA LYS A 14 5.722 -0.592 -8.521 1.00 0.00 H new ATOM 0 HB2 LYS A 14 8.273 -2.201 -8.440 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.230 -0.746 -9.415 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.111 0.032 -6.954 1.00 0.00 H new ATOM 0 HG3 LYS A 14 8.429 -1.036 -6.516 1.00 0.00 H new ATOM 0 HD2 LYS A 14 8.701 1.306 -8.446 1.00 0.00 H new ATOM 0 HD3 LYS A 14 9.091 1.391 -6.739 1.00 0.00 H new ATOM 0 HE2 LYS A 14 10.659 -0.633 -7.176 1.00 0.00 H new ATOM 0 HE3 LYS A 14 10.445 -0.280 -8.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 12.409 0.800 -8.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 11.277 1.967 -8.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 11.484 1.624 -6.840 1.00 0.00 H new ATOM 134 N ASP A 15 5.863 -2.925 -10.724 1.00 0.00 N ATOM 135 CA ASP A 15 5.654 -3.256 -12.129 1.00 0.00 C ATOM 136 C ASP A 15 4.389 -2.597 -12.667 1.00 0.00 C ATOM 137 O ASP A 15 3.743 -1.808 -11.978 1.00 0.00 O ATOM 138 CB ASP A 15 5.581 -4.773 -12.312 1.00 0.00 C ATOM 139 CG ASP A 15 5.949 -5.210 -13.716 1.00 0.00 C ATOM 140 OD1 ASP A 15 7.122 -5.034 -14.104 1.00 0.00 O ATOM 141 OD2 ASP A 15 5.063 -5.727 -14.429 1.00 0.00 O ATOM 0 H ASP A 15 5.826 -3.725 -10.092 1.00 0.00 H new ATOM 0 HA ASP A 15 6.502 -2.872 -12.696 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.251 -5.254 -11.599 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.572 -5.115 -12.082 1.00 0.00 H new ATOM 144 N THR A 16 4.044 -2.919 -13.909 1.00 0.00 N ATOM 145 CA THR A 16 2.862 -2.350 -14.550 1.00 0.00 C ATOM 146 C THR A 16 1.602 -3.145 -14.211 1.00 0.00 C ATOM 147 O THR A 16 0.869 -2.795 -13.285 1.00 0.00 O ATOM 148 CB THR A 16 3.024 -2.295 -16.080 1.00 0.00 C ATOM 149 OG1 THR A 16 3.907 -3.337 -16.518 1.00 0.00 O ATOM 150 CG2 THR A 16 3.573 -0.945 -16.520 1.00 0.00 C ATOM 0 H THR A 16 4.566 -3.572 -14.493 1.00 0.00 H new ATOM 0 HA THR A 16 2.757 -1.336 -14.164 1.00 0.00 H new ATOM 0 HB THR A 16 2.041 -2.436 -16.531 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.003 -3.296 -17.492 1.00 0.00 H new ATOM 0 HG21 THR A 16 3.678 -0.931 -17.605 1.00 0.00 H new ATOM 0 HG22 THR A 16 2.887 -0.156 -16.212 1.00 0.00 H new ATOM 0 HG23 THR A 16 4.547 -0.780 -16.059 1.00 0.00 H new ATOM 158 N GLU A 17 1.352 -4.209 -14.971 1.00 0.00 N ATOM 159 CA GLU A 17 0.176 -5.045 -14.756 1.00 0.00 C ATOM 160 C GLU A 17 0.451 -6.123 -13.713 1.00 0.00 C ATOM 161 O GLU A 17 -0.435 -6.496 -12.944 1.00 0.00 O ATOM 162 CB GLU A 17 -0.262 -5.695 -16.070 1.00 0.00 C ATOM 163 CG GLU A 17 -1.551 -6.492 -15.958 1.00 0.00 C ATOM 164 CD GLU A 17 -1.544 -7.741 -16.819 1.00 0.00 C ATOM 165 OE1 GLU A 17 -0.469 -8.360 -16.957 1.00 0.00 O ATOM 166 OE2 GLU A 17 -2.615 -8.099 -17.354 1.00 0.00 O ATOM 0 H GLU A 17 1.949 -4.512 -15.741 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.626 -4.405 -14.387 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.390 -4.918 -16.824 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.532 -6.353 -16.422 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.710 -6.774 -14.917 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.390 -5.860 -16.248 1.00 0.00 H new ATOM 169 N LYS A 18 1.682 -6.624 -13.700 1.00 0.00 N ATOM 170 CA LYS A 18 2.074 -7.665 -12.755 1.00 0.00 C ATOM 171 C LYS A 18 1.876 -7.202 -11.314 1.00 0.00 C ATOM 172 O LYS A 18 1.439 -7.973 -10.460 1.00 0.00 O ATOM 173 CB LYS A 18 3.535 -8.061 -12.978 1.00 0.00 C ATOM 174 CG LYS A 18 3.787 -8.725 -14.323 1.00 0.00 C ATOM 175 CD LYS A 18 3.842 -10.238 -14.194 1.00 0.00 C ATOM 176 CE LYS A 18 5.033 -10.819 -14.941 1.00 0.00 C ATOM 177 NZ LYS A 18 5.489 -12.104 -14.344 1.00 0.00 N ATOM 0 H LYS A 18 2.425 -6.327 -14.332 1.00 0.00 H new ATOM 0 HA LYS A 18 1.437 -8.532 -12.928 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.160 -7.172 -12.898 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.844 -8.740 -12.183 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.998 -8.447 -15.021 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.725 -8.360 -14.740 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.903 -10.512 -13.141 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.921 -10.671 -14.583 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.764 -10.979 -15.985 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.854 -10.102 -14.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 6.302 -12.467 -14.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.770 -11.947 -13.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.714 -12.797 -14.378 1.00 0.00 H new ATOM 183 N GLY A 19 2.201 -5.939 -11.055 1.00 0.00 N ATOM 184 CA GLY A 19 2.054 -5.394 -9.718 1.00 0.00 C ATOM 185 C GLY A 19 0.693 -4.767 -9.485 1.00 0.00 C ATOM 186 O GLY A 19 -0.271 -5.081 -10.184 1.00 0.00 O ATOM 0 H GLY A 19 2.563 -5.284 -11.747 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.213 -6.187 -8.988 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.828 -4.645 -9.549 1.00 0.00 H new ATOM 190 N ILE A 20 0.620 -3.876 -8.500 1.00 0.00 N ATOM 191 CA ILE A 20 -0.626 -3.194 -8.167 1.00 0.00 C ATOM 192 C ILE A 20 -1.112 -2.339 -9.335 1.00 0.00 C ATOM 193 O ILE A 20 -0.480 -2.295 -10.391 1.00 0.00 O ATOM 194 CB ILE A 20 -0.455 -2.293 -6.927 1.00 0.00 C ATOM 195 CG1 ILE A 20 0.709 -1.326 -7.132 1.00 0.00 C ATOM 196 CG2 ILE A 20 -0.235 -3.131 -5.677 1.00 0.00 C ATOM 197 CD1 ILE A 20 0.331 0.121 -6.914 1.00 0.00 C ATOM 0 H ILE A 20 1.413 -3.609 -7.917 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.364 -3.966 -7.951 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.370 -1.716 -6.793 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.516 -1.590 -6.449 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.096 -1.444 -8.144 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -0.117 -2.474 -4.815 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.094 -3.784 -5.521 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.664 -3.736 -5.798 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.204 0.753 -7.076 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -0.455 0.401 -7.615 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.029 0.253 -5.894 1.00 0.00 H new ATOM 207 N LYS A 21 -2.236 -1.656 -9.136 1.00 0.00 N ATOM 208 CA LYS A 21 -2.803 -0.797 -10.170 1.00 0.00 C ATOM 209 C LYS A 21 -2.140 0.576 -10.148 1.00 0.00 C ATOM 210 O LYS A 21 -2.720 1.551 -9.670 1.00 0.00 O ATOM 211 CB LYS A 21 -4.314 -0.655 -9.978 1.00 0.00 C ATOM 212 CG LYS A 21 -4.999 -1.943 -9.556 1.00 0.00 C ATOM 213 CD LYS A 21 -5.076 -2.937 -10.704 1.00 0.00 C ATOM 214 CE LYS A 21 -5.329 -4.349 -10.201 1.00 0.00 C ATOM 215 NZ LYS A 21 -4.403 -5.335 -10.824 1.00 0.00 N ATOM 0 H LYS A 21 -2.772 -1.681 -8.268 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.615 -1.259 -11.139 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.506 0.111 -9.227 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.759 -0.306 -10.910 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.455 -2.389 -8.723 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.004 -1.721 -9.198 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -5.873 -2.645 -11.387 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.145 -2.913 -11.271 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.211 -4.375 -9.118 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.359 -4.632 -10.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.608 -6.285 -10.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.533 -5.329 -11.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.421 -5.080 -10.597 1.00 0.00 H new ATOM 221 N GLU A 22 -0.915 0.637 -10.663 1.00 0.00 N ATOM 222 CA GLU A 22 -0.150 1.882 -10.705 1.00 0.00 C ATOM 223 C GLU A 22 -0.966 3.017 -11.318 1.00 0.00 C ATOM 224 O GLU A 22 -1.102 3.111 -12.538 1.00 0.00 O ATOM 225 CB GLU A 22 1.145 1.683 -11.498 1.00 0.00 C ATOM 226 CG GLU A 22 0.982 0.810 -12.731 1.00 0.00 C ATOM 227 CD GLU A 22 2.149 0.935 -13.691 1.00 0.00 C ATOM 228 OE1 GLU A 22 3.294 0.662 -13.270 1.00 0.00 O ATOM 229 OE2 GLU A 22 1.920 1.304 -14.861 1.00 0.00 O ATOM 0 H GLU A 22 -0.427 -0.166 -11.060 1.00 0.00 H new ATOM 0 HA GLU A 22 0.095 2.156 -9.679 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.527 2.657 -11.802 1.00 0.00 H new ATOM 0 HB3 GLU A 22 1.895 1.237 -10.845 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.879 -0.231 -12.424 1.00 0.00 H new ATOM 0 HG3 GLU A 22 0.061 1.083 -13.246 1.00 0.00 H new ATOM 232 N LEU A 23 -1.503 3.880 -10.459 1.00 0.00 N ATOM 233 CA LEU A 23 -2.302 5.014 -10.908 1.00 0.00 C ATOM 234 C LEU A 23 -1.907 6.286 -10.164 1.00 0.00 C ATOM 235 O LEU A 23 -1.540 6.238 -8.990 1.00 0.00 O ATOM 236 CB LEU A 23 -3.791 4.729 -10.700 1.00 0.00 C ATOM 237 CG LEU A 23 -4.684 5.052 -11.898 1.00 0.00 C ATOM 238 CD1 LEU A 23 -4.804 3.844 -12.813 1.00 0.00 C ATOM 239 CD2 LEU A 23 -6.058 5.507 -11.428 1.00 0.00 C ATOM 0 H LEU A 23 -1.398 3.814 -9.447 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.112 5.163 -11.971 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.912 3.675 -10.449 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.139 5.303 -9.841 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.227 5.865 -12.462 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.443 4.092 -13.661 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.815 3.562 -13.174 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.240 3.011 -12.261 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -6.682 5.733 -12.293 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.523 4.714 -10.842 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.954 6.400 -10.812 1.00 0.00 H new ATOM 249 N ASN A 24 -1.986 7.422 -10.852 1.00 0.00 N ATOM 250 CA ASN A 24 -1.639 8.707 -10.252 1.00 0.00 C ATOM 251 C ASN A 24 -2.842 9.313 -9.535 1.00 0.00 C ATOM 252 O ASN A 24 -3.989 9.024 -9.880 1.00 0.00 O ATOM 253 CB ASN A 24 -1.129 9.673 -11.322 1.00 0.00 C ATOM 254 CG ASN A 24 0.074 9.129 -12.067 1.00 0.00 C ATOM 255 OD1 ASN A 24 1.001 8.590 -11.462 1.00 0.00 O ATOM 256 ND2 ASN A 24 0.065 9.267 -13.388 1.00 0.00 N ATOM 0 H ASN A 24 -2.287 7.479 -11.825 1.00 0.00 H new ATOM 0 HA ASN A 24 -0.849 8.537 -9.521 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -1.930 9.880 -12.032 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -0.865 10.622 -10.855 1.00 0.00 H new ATOM 0 HD21 ASN A 24 0.847 8.920 -13.942 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -0.724 9.720 -13.848 1.00 0.00 H new ATOM 261 N LEU A 25 -2.577 10.152 -8.538 1.00 0.00 N ATOM 262 CA LEU A 25 -3.646 10.793 -7.778 1.00 0.00 C ATOM 263 C LEU A 25 -3.237 12.201 -7.352 1.00 0.00 C ATOM 264 O LEU A 25 -2.160 12.406 -6.785 1.00 0.00 O ATOM 265 CB LEU A 25 -3.997 9.952 -6.546 1.00 0.00 C ATOM 266 CG LEU A 25 -5.489 9.839 -6.229 1.00 0.00 C ATOM 267 CD1 LEU A 25 -5.823 8.434 -5.744 1.00 0.00 C ATOM 268 CD2 LEU A 25 -5.892 10.873 -5.189 1.00 0.00 C ATOM 0 H LEU A 25 -1.635 10.403 -8.238 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.525 10.868 -8.419 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.596 8.948 -6.687 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.491 10.379 -5.680 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.053 10.032 -7.141 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.888 8.369 -5.522 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.569 7.711 -6.520 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.251 8.215 -4.842 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.957 10.778 -4.975 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.322 10.710 -4.274 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.686 11.873 -5.571 1.00 0.00 H new ATOM 278 N GLU A 26 -4.103 13.170 -7.632 1.00 0.00 N ATOM 279 CA GLU A 26 -3.837 14.562 -7.286 1.00 0.00 C ATOM 280 C GLU A 26 -4.743 15.024 -6.149 1.00 0.00 C ATOM 281 O GLU A 26 -5.884 14.575 -6.030 1.00 0.00 O ATOM 282 CB GLU A 26 -4.039 15.458 -8.510 1.00 0.00 C ATOM 283 CG GLU A 26 -3.550 16.884 -8.310 1.00 0.00 C ATOM 284 CD GLU A 26 -4.522 17.916 -8.848 1.00 0.00 C ATOM 285 OE1 GLU A 26 -5.243 17.603 -9.820 1.00 0.00 O ATOM 286 OE2 GLU A 26 -4.562 19.037 -8.300 1.00 0.00 O ATOM 0 H GLU A 26 -4.997 13.016 -8.099 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.802 14.637 -6.954 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.517 15.020 -9.360 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.099 15.479 -8.763 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.388 17.063 -7.247 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.586 17.006 -8.804 1.00 0.00 H new ATOM 289 N LYS A 27 -4.227 15.924 -5.316 1.00 0.00 N ATOM 290 CA LYS A 27 -4.992 16.448 -4.191 1.00 0.00 C ATOM 291 C LYS A 27 -5.375 17.907 -4.425 1.00 0.00 C ATOM 292 O LYS A 27 -6.487 18.204 -4.864 1.00 0.00 O ATOM 293 CB LYS A 27 -4.188 16.318 -2.895 1.00 0.00 C ATOM 294 CG LYS A 27 -5.042 16.001 -1.677 1.00 0.00 C ATOM 295 CD LYS A 27 -5.479 14.546 -1.664 1.00 0.00 C ATOM 296 CE LYS A 27 -6.147 14.177 -0.349 1.00 0.00 C ATOM 297 NZ LYS A 27 -5.371 13.154 0.402 1.00 0.00 N ATOM 0 H LYS A 27 -3.284 16.304 -5.399 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.907 15.862 -4.101 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.441 15.534 -3.018 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.648 17.248 -2.718 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.479 16.221 -0.770 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.921 16.646 -1.670 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -6.170 14.365 -2.488 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.614 13.904 -1.827 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.258 15.071 0.265 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.150 13.799 -0.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.861 12.931 1.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.287 12.291 -0.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.422 13.524 0.613 1.00 0.00 H new ATOM 303 N ASP A 28 -4.445 18.813 -4.135 1.00 0.00 N ATOM 304 CA ASP A 28 -4.680 20.241 -4.319 1.00 0.00 C ATOM 305 C ASP A 28 -3.716 20.813 -5.351 1.00 0.00 C ATOM 306 O ASP A 28 -4.119 21.189 -6.452 1.00 0.00 O ATOM 307 CB ASP A 28 -4.523 20.981 -2.989 1.00 0.00 C ATOM 308 CG ASP A 28 -5.817 21.039 -2.200 1.00 0.00 C ATOM 309 OD1 ASP A 28 -6.546 20.024 -2.181 1.00 0.00 O ATOM 310 OD2 ASP A 28 -6.102 22.098 -1.603 1.00 0.00 O ATOM 0 H ASP A 28 -3.520 18.582 -3.771 1.00 0.00 H new ATOM 0 HA ASP A 28 -5.699 20.377 -4.681 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -3.758 20.487 -2.390 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -4.172 21.995 -3.180 1.00 0.00 H new ATOM 313 N LYS A 29 -2.438 20.867 -4.989 1.00 0.00 N ATOM 314 CA LYS A 29 -1.408 21.383 -5.880 1.00 0.00 C ATOM 315 C LYS A 29 -0.272 20.376 -6.023 1.00 0.00 C ATOM 316 O LYS A 29 0.735 20.647 -6.676 1.00 0.00 O ATOM 317 CB LYS A 29 -0.865 22.714 -5.356 1.00 0.00 C ATOM 318 CG LYS A 29 -0.520 23.706 -6.455 1.00 0.00 C ATOM 319 CD LYS A 29 0.982 23.797 -6.672 1.00 0.00 C ATOM 320 CE LYS A 29 1.330 24.830 -7.734 1.00 0.00 C ATOM 321 NZ LYS A 29 0.508 24.664 -8.964 1.00 0.00 N ATOM 0 H LYS A 29 -2.091 20.558 -4.081 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.855 21.548 -6.860 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.604 23.162 -4.692 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.026 22.523 -4.758 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.005 23.405 -7.384 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.911 24.689 -6.195 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.471 24.059 -5.734 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.367 22.822 -6.971 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.179 25.831 -7.329 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.386 24.745 -7.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.927 25.218 -9.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.482 23.659 -9.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.460 24.999 -8.783 1.00 0.00 H new ATOM 327 N LYS A 30 -0.445 19.210 -5.406 1.00 0.00 N ATOM 328 CA LYS A 30 0.559 18.158 -5.461 1.00 0.00 C ATOM 329 C LYS A 30 0.053 16.962 -6.258 1.00 0.00 C ATOM 330 O LYS A 30 -1.109 16.567 -6.140 1.00 0.00 O ATOM 331 CB LYS A 30 0.948 17.716 -4.049 1.00 0.00 C ATOM 332 CG LYS A 30 2.210 18.383 -3.528 1.00 0.00 C ATOM 333 CD LYS A 30 2.156 18.578 -2.021 1.00 0.00 C ATOM 334 CE LYS A 30 2.855 19.860 -1.599 1.00 0.00 C ATOM 335 NZ LYS A 30 1.889 20.973 -1.382 1.00 0.00 N ATOM 0 H LYS A 30 -1.274 18.972 -4.862 1.00 0.00 H new ATOM 0 HA LYS A 30 1.439 18.560 -5.963 1.00 0.00 H new ATOM 0 HB2 LYS A 30 0.125 17.935 -3.369 1.00 0.00 H new ATOM 0 HB3 LYS A 30 1.089 16.635 -4.042 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.077 17.775 -3.786 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.341 19.349 -4.016 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.117 18.605 -1.694 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.624 17.727 -1.526 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.417 19.682 -0.682 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.576 20.149 -2.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.405 21.829 -1.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 1.371 21.160 -2.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 1.216 20.708 -0.635 1.00 0.00 H new ATOM 341 N ILE A 31 0.936 16.386 -7.066 1.00 0.00 N ATOM 342 CA ILE A 31 0.591 15.231 -7.885 1.00 0.00 C ATOM 343 C ILE A 31 1.319 13.986 -7.390 1.00 0.00 C ATOM 344 O ILE A 31 2.435 13.695 -7.822 1.00 0.00 O ATOM 345 CB ILE A 31 0.944 15.459 -9.372 1.00 0.00 C ATOM 346 CG1 ILE A 31 1.009 16.960 -9.694 1.00 0.00 C ATOM 347 CG2 ILE A 31 -0.063 14.757 -10.271 1.00 0.00 C ATOM 348 CD1 ILE A 31 -0.322 17.677 -9.574 1.00 0.00 C ATOM 0 H ILE A 31 1.900 16.702 -7.171 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.486 15.090 -7.798 1.00 0.00 H new ATOM 0 HB ILE A 31 1.929 15.032 -9.560 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.726 17.434 -9.024 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.388 17.087 -10.708 1.00 0.00 H new ATOM 0 HG21 ILE A 31 0.200 14.928 -11.315 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.051 13.687 -10.064 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.060 15.153 -10.079 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.191 18.731 -9.817 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.039 17.232 -10.264 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.695 17.584 -8.554 1.00 0.00 H new ATOM 358 N PHE A 32 0.685 13.258 -6.477 1.00 0.00 N ATOM 359 CA PHE A 32 1.281 12.047 -5.922 1.00 0.00 C ATOM 360 C PHE A 32 1.416 10.970 -6.997 1.00 0.00 C ATOM 361 O PHE A 32 0.590 10.885 -7.909 1.00 0.00 O ATOM 362 CB PHE A 32 0.439 11.526 -4.753 1.00 0.00 C ATOM 363 CG PHE A 32 0.052 12.590 -3.764 1.00 0.00 C ATOM 364 CD1 PHE A 32 1.010 13.417 -3.201 1.00 0.00 C ATOM 365 CD2 PHE A 32 -1.274 12.760 -3.396 1.00 0.00 C ATOM 366 CE1 PHE A 32 0.655 14.392 -2.291 1.00 0.00 C ATOM 367 CE2 PHE A 32 -1.636 13.733 -2.486 1.00 0.00 C ATOM 368 CZ PHE A 32 -0.669 14.551 -1.931 1.00 0.00 C ATOM 0 H PHE A 32 -0.238 13.484 -6.106 1.00 0.00 H new ATOM 0 HA PHE A 32 2.277 12.294 -5.554 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.466 11.063 -5.147 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.997 10.746 -4.234 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.047 13.297 -3.477 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -2.033 12.123 -3.827 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.412 15.030 -1.860 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.672 13.855 -2.208 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.948 15.312 -1.218 1.00 0.00 H new ATOM 376 N ASN A 33 2.468 10.160 -6.892 1.00 0.00 N ATOM 377 CA ASN A 33 2.715 9.098 -7.865 1.00 0.00 C ATOM 378 C ASN A 33 2.406 7.720 -7.289 1.00 0.00 C ATOM 379 O ASN A 33 2.722 7.428 -6.131 1.00 0.00 O ATOM 380 CB ASN A 33 4.167 9.145 -8.341 1.00 0.00 C ATOM 381 CG ASN A 33 4.292 9.618 -9.776 1.00 0.00 C ATOM 382 OD1 ASN A 33 4.720 10.741 -10.038 1.00 0.00 O ATOM 383 ND2 ASN A 33 3.916 8.758 -10.716 1.00 0.00 N ATOM 0 H ASN A 33 3.161 10.218 -6.146 1.00 0.00 H new ATOM 0 HA ASN A 33 2.048 9.267 -8.710 1.00 0.00 H new ATOM 0 HB2 ASN A 33 4.738 9.809 -7.692 1.00 0.00 H new ATOM 0 HB3 ASN A 33 4.609 8.153 -8.249 1.00 0.00 H new ATOM 0 HD21 ASN A 33 3.977 9.019 -11.700 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.567 7.836 -10.454 1.00 0.00 H new ATOM 388 N HIS A 34 1.795 6.873 -8.115 1.00 0.00 N ATOM 389 CA HIS A 34 1.443 5.519 -7.708 1.00 0.00 C ATOM 390 C HIS A 34 0.668 5.532 -6.396 1.00 0.00 C ATOM 391 O HIS A 34 1.070 4.899 -5.423 1.00 0.00 O ATOM 392 CB HIS A 34 2.704 4.666 -7.563 1.00 0.00 C ATOM 393 CG HIS A 34 3.496 4.544 -8.827 1.00 0.00 C ATOM 394 ND1 HIS A 34 4.835 4.864 -8.912 1.00 0.00 N ATOM 395 CD2 HIS A 34 3.132 4.130 -10.064 1.00 0.00 C ATOM 396 CE1 HIS A 34 5.258 4.654 -10.146 1.00 0.00 C ATOM 397 NE2 HIS A 34 4.244 4.207 -10.864 1.00 0.00 N ATOM 0 H HIS A 34 1.534 7.104 -9.073 1.00 0.00 H new ATOM 0 HA HIS A 34 0.807 5.085 -8.480 1.00 0.00 H new ATOM 0 HB2 HIS A 34 3.337 5.098 -6.788 1.00 0.00 H new ATOM 0 HB3 HIS A 34 2.421 3.669 -7.224 1.00 0.00 H new ATOM 0 HD2 HIS A 34 2.149 3.800 -10.365 1.00 0.00 H new ATOM 0 HE1 HIS A 34 6.263 4.820 -10.506 1.00 0.00 H new ATOM 0 HE2 HIS A 34 4.281 3.959 -11.853 1.00 0.00 H new ATOM 404 N CYS A 35 -0.438 6.267 -6.376 1.00 0.00 N ATOM 405 CA CYS A 35 -1.265 6.370 -5.179 1.00 0.00 C ATOM 406 C CYS A 35 -2.452 5.424 -5.249 1.00 0.00 C ATOM 407 O CYS A 35 -3.190 5.405 -6.235 1.00 0.00 O ATOM 408 CB CYS A 35 -1.746 7.807 -5.000 1.00 0.00 C ATOM 409 SG CYS A 35 -0.954 8.973 -6.128 1.00 0.00 S ATOM 0 H CYS A 35 -0.783 6.800 -7.174 1.00 0.00 H new ATOM 0 HA CYS A 35 -0.658 6.085 -4.320 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -2.825 7.843 -5.151 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -1.557 8.121 -3.973 1.00 0.00 H new ATOM 0 HG CYS A 35 0.338 8.859 -6.033 1.00 0.00 H new ATOM 413 N PHE A 36 -2.621 4.633 -4.199 1.00 0.00 N ATOM 414 CA PHE A 36 -3.709 3.670 -4.137 1.00 0.00 C ATOM 415 C PHE A 36 -4.304 3.606 -2.733 1.00 0.00 C ATOM 416 O PHE A 36 -4.030 4.465 -1.896 1.00 0.00 O ATOM 417 CB PHE A 36 -3.207 2.285 -4.567 1.00 0.00 C ATOM 418 CG PHE A 36 -1.815 1.957 -4.086 1.00 0.00 C ATOM 419 CD1 PHE A 36 -0.700 2.542 -4.672 1.00 0.00 C ATOM 420 CD2 PHE A 36 -1.621 1.054 -3.053 1.00 0.00 C ATOM 421 CE1 PHE A 36 0.575 2.231 -4.237 1.00 0.00 C ATOM 422 CE2 PHE A 36 -0.347 0.743 -2.616 1.00 0.00 C ATOM 423 CZ PHE A 36 0.749 1.331 -3.209 1.00 0.00 C ATOM 0 H PHE A 36 -2.017 4.640 -3.377 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.494 3.993 -4.821 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.897 1.528 -4.193 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.227 2.225 -5.655 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.831 3.249 -5.478 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.475 0.588 -2.584 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.433 2.693 -4.702 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.211 0.038 -1.809 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.744 1.086 -2.868 1.00 0.00 H new ATOM 431 N THR A 37 -5.119 2.586 -2.481 1.00 0.00 N ATOM 432 CA THR A 37 -5.750 2.413 -1.177 1.00 0.00 C ATOM 433 C THR A 37 -5.062 1.315 -0.373 1.00 0.00 C ATOM 434 O THR A 37 -4.254 0.556 -0.907 1.00 0.00 O ATOM 435 CB THR A 37 -7.246 2.070 -1.318 1.00 0.00 C ATOM 436 OG1 THR A 37 -7.464 1.299 -2.505 1.00 0.00 O ATOM 437 CG2 THR A 37 -8.089 3.335 -1.369 1.00 0.00 C ATOM 0 H THR A 37 -5.358 1.866 -3.163 1.00 0.00 H new ATOM 0 HA THR A 37 -5.650 3.362 -0.650 1.00 0.00 H new ATOM 0 HB THR A 37 -7.545 1.487 -0.447 1.00 0.00 H new ATOM 0 HG1 THR A 37 -7.962 0.486 -2.280 1.00 0.00 H new ATOM 0 HG21 THR A 37 -9.141 3.067 -1.469 1.00 0.00 H new ATOM 0 HG22 THR A 37 -7.945 3.905 -0.451 1.00 0.00 H new ATOM 0 HG23 THR A 37 -7.786 3.940 -2.224 1.00 0.00 H new ATOM 445 N GLY A 38 -5.387 1.239 0.914 1.00 0.00 N ATOM 446 CA GLY A 38 -4.790 0.231 1.774 1.00 0.00 C ATOM 447 C GLY A 38 -5.312 -1.162 1.489 1.00 0.00 C ATOM 448 O GLY A 38 -4.547 -2.128 1.474 1.00 0.00 O ATOM 0 H GLY A 38 -6.053 1.857 1.377 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.708 0.243 1.644 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.989 0.483 2.816 1.00 0.00 H new ATOM 452 N ASN A 39 -6.619 -1.269 1.265 1.00 0.00 N ATOM 453 CA ASN A 39 -7.245 -2.556 0.982 1.00 0.00 C ATOM 454 C ASN A 39 -6.815 -3.088 -0.383 1.00 0.00 C ATOM 455 O ASN A 39 -7.012 -4.264 -0.691 1.00 0.00 O ATOM 456 CB ASN A 39 -8.769 -2.425 1.035 1.00 0.00 C ATOM 457 CG ASN A 39 -9.334 -1.728 -0.188 1.00 0.00 C ATOM 458 OD1 ASN A 39 -8.918 -0.487 -0.406 1.00 0.00 O flip ATOM 459 ND2 ASN A 39 -10.135 -2.301 -0.925 1.00 0.00 N flip ATOM 0 H ASN A 39 -7.265 -0.479 1.274 1.00 0.00 H new ATOM 0 HA ASN A 39 -6.919 -3.265 1.743 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -9.213 -3.417 1.122 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -9.052 -1.870 1.929 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.426 -3.256 -0.717 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -10.508 -1.821 -1.744 1.00 0.00 H new ATOM 464 N CYS A 40 -6.227 -2.215 -1.196 1.00 0.00 N ATOM 465 CA CYS A 40 -5.771 -2.595 -2.529 1.00 0.00 C ATOM 466 C CYS A 40 -4.617 -3.590 -2.452 1.00 0.00 C ATOM 467 O CYS A 40 -4.624 -4.615 -3.132 1.00 0.00 O ATOM 468 CB CYS A 40 -5.338 -1.357 -3.314 1.00 0.00 C ATOM 469 SG CYS A 40 -5.103 -1.650 -5.084 1.00 0.00 S ATOM 0 H CYS A 40 -6.055 -1.239 -0.955 1.00 0.00 H new ATOM 0 HA CYS A 40 -6.603 -3.074 -3.045 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -6.087 -0.576 -3.182 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -4.406 -0.980 -2.892 1.00 0.00 H new ATOM 0 HG CYS A 40 -4.740 -0.544 -5.662 1.00 0.00 H new ATOM 473 N VAL A 41 -3.626 -3.279 -1.622 1.00 0.00 N ATOM 474 CA VAL A 41 -2.464 -4.145 -1.459 1.00 0.00 C ATOM 475 C VAL A 41 -2.857 -5.487 -0.857 1.00 0.00 C ATOM 476 O VAL A 41 -2.295 -6.524 -1.207 1.00 0.00 O ATOM 477 CB VAL A 41 -1.396 -3.490 -0.563 1.00 0.00 C ATOM 478 CG1 VAL A 41 -0.143 -4.349 -0.502 1.00 0.00 C ATOM 479 CG2 VAL A 41 -1.068 -2.097 -1.065 1.00 0.00 C ATOM 0 H VAL A 41 -3.605 -2.433 -1.052 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.048 -4.303 -2.454 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.798 -3.407 0.447 1.00 0.00 H new ATOM 0 HG11 VAL A 41 0.598 -3.867 0.136 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.393 -5.328 -0.093 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.265 -4.469 -1.506 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.312 -1.647 -0.422 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.687 -2.158 -2.085 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.969 -1.483 -1.050 1.00 0.00 H new ATOM 489 N ILE A 42 -3.824 -5.460 0.054 1.00 0.00 N ATOM 490 CA ILE A 42 -4.289 -6.678 0.706 1.00 0.00 C ATOM 491 C ILE A 42 -4.955 -7.614 -0.296 1.00 0.00 C ATOM 492 O ILE A 42 -4.762 -8.828 -0.249 1.00 0.00 O ATOM 493 CB ILE A 42 -5.285 -6.369 1.843 1.00 0.00 C ATOM 494 CG1 ILE A 42 -4.856 -5.117 2.615 1.00 0.00 C ATOM 495 CG2 ILE A 42 -5.405 -7.559 2.781 1.00 0.00 C ATOM 496 CD1 ILE A 42 -3.573 -5.287 3.404 1.00 0.00 C ATOM 0 H ILE A 42 -4.300 -4.610 0.357 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.410 -7.164 1.129 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.262 -6.177 1.400 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.731 -4.294 1.911 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -5.656 -4.833 3.299 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -6.111 -7.325 3.577 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.760 -8.426 2.225 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.430 -7.780 3.215 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.338 -4.357 3.922 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -3.698 -6.087 4.134 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.759 -5.540 2.725 1.00 0.00 H new ATOM 506 N ASP A 43 -5.739 -7.040 -1.206 1.00 0.00 N ATOM 507 CA ASP A 43 -6.432 -7.824 -2.222 1.00 0.00 C ATOM 508 C ASP A 43 -5.457 -8.337 -3.276 1.00 0.00 C ATOM 509 O ASP A 43 -5.578 -9.466 -3.747 1.00 0.00 O ATOM 510 CB ASP A 43 -7.525 -6.984 -2.888 1.00 0.00 C ATOM 511 CG ASP A 43 -8.658 -7.832 -3.431 1.00 0.00 C ATOM 512 OD1 ASP A 43 -8.449 -9.048 -3.630 1.00 0.00 O ATOM 513 OD2 ASP A 43 -9.755 -7.281 -3.659 1.00 0.00 O ATOM 0 H ASP A 43 -5.909 -6.036 -1.259 1.00 0.00 H new ATOM 0 HA ASP A 43 -6.891 -8.682 -1.730 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -7.923 -6.272 -2.165 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -7.088 -6.403 -3.701 1.00 0.00 H new ATOM 516 N TRP A 44 -4.486 -7.502 -3.640 1.00 0.00 N ATOM 517 CA TRP A 44 -3.488 -7.879 -4.635 1.00 0.00 C ATOM 518 C TRP A 44 -2.620 -9.023 -4.121 1.00 0.00 C ATOM 519 O TRP A 44 -2.373 -9.996 -4.833 1.00 0.00 O ATOM 520 CB TRP A 44 -2.612 -6.675 -4.987 1.00 0.00 C ATOM 521 CG TRP A 44 -1.579 -6.969 -6.035 1.00 0.00 C ATOM 522 CD1 TRP A 44 -1.771 -7.019 -7.385 1.00 0.00 C ATOM 523 CD2 TRP A 44 -0.194 -7.253 -5.815 1.00 0.00 C ATOM 524 NE1 TRP A 44 -0.591 -7.317 -8.018 1.00 0.00 N ATOM 525 CE2 TRP A 44 0.393 -7.465 -7.076 1.00 0.00 C ATOM 526 CE3 TRP A 44 0.608 -7.348 -4.675 1.00 0.00 C ATOM 527 CZ2 TRP A 44 1.745 -7.768 -7.227 1.00 0.00 C ATOM 528 CZ3 TRP A 44 1.948 -7.647 -4.826 1.00 0.00 C ATOM 529 CH2 TRP A 44 2.505 -7.853 -6.093 1.00 0.00 C ATOM 0 H TRP A 44 -4.370 -6.562 -3.261 1.00 0.00 H new ATOM 0 HA TRP A 44 -4.008 -8.215 -5.532 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -3.249 -5.862 -5.335 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.112 -6.324 -4.084 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -2.714 -6.849 -7.883 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.466 -7.413 -9.026 1.00 0.00 H new ATOM 0 HE3 TRP A 44 0.188 -7.190 -3.693 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 2.177 -7.930 -8.204 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.577 -7.723 -3.951 1.00 0.00 H new ATOM 0 HH2 TRP A 44 3.557 -8.084 -6.177 1.00 0.00 H new ATOM 538 N LEU A 45 -2.170 -8.896 -2.878 1.00 0.00 N ATOM 539 CA LEU A 45 -1.332 -9.914 -2.255 1.00 0.00 C ATOM 540 C LEU A 45 -2.110 -11.213 -2.068 1.00 0.00 C ATOM 541 O LEU A 45 -1.600 -12.300 -2.337 1.00 0.00 O ATOM 542 CB LEU A 45 -0.822 -9.418 -0.899 1.00 0.00 C ATOM 543 CG LEU A 45 0.660 -9.042 -0.856 1.00 0.00 C ATOM 544 CD1 LEU A 45 0.869 -7.628 -1.373 1.00 0.00 C ATOM 545 CD2 LEU A 45 1.201 -9.172 0.559 1.00 0.00 C ATOM 0 H LEU A 45 -2.372 -8.095 -2.280 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.483 -10.107 -2.911 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.409 -8.548 -0.604 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.005 -10.193 -0.155 1.00 0.00 H new ATOM 0 HG LEU A 45 1.206 -9.730 -1.502 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.930 -7.379 -1.334 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.518 -7.562 -2.403 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.309 -6.928 -0.753 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.257 -8.901 0.571 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.648 -8.507 1.223 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.087 -10.201 0.899 1.00 0.00 H new ATOM 555 N VAL A 46 -3.346 -11.087 -1.600 1.00 0.00 N ATOM 556 CA VAL A 46 -4.207 -12.241 -1.366 1.00 0.00 C ATOM 557 C VAL A 46 -4.547 -12.950 -2.677 1.00 0.00 C ATOM 558 O VAL A 46 -4.623 -14.177 -2.725 1.00 0.00 O ATOM 559 CB VAL A 46 -5.501 -11.816 -0.634 1.00 0.00 C ATOM 560 CG1 VAL A 46 -6.630 -12.809 -0.865 1.00 0.00 C ATOM 561 CG2 VAL A 46 -5.234 -11.651 0.854 1.00 0.00 C ATOM 0 H VAL A 46 -3.777 -10.191 -1.374 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.662 -12.941 -0.733 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.817 -10.858 -1.047 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.522 -12.476 -0.335 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.845 -12.874 -1.932 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.333 -13.790 -0.495 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.153 -11.352 1.358 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.885 -12.597 1.268 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.472 -10.886 1.004 1.00 0.00 H new ATOM 571 N SER A 47 -4.741 -12.173 -3.738 1.00 0.00 N ATOM 572 CA SER A 47 -5.063 -12.735 -5.046 1.00 0.00 C ATOM 573 C SER A 47 -3.794 -13.135 -5.791 1.00 0.00 C ATOM 574 O SER A 47 -3.832 -13.443 -6.982 1.00 0.00 O ATOM 575 CB SER A 47 -5.867 -11.738 -5.878 1.00 0.00 C ATOM 576 OG SER A 47 -6.951 -11.208 -5.135 1.00 0.00 O ATOM 0 H SER A 47 -4.681 -11.155 -3.718 1.00 0.00 H new ATOM 0 HA SER A 47 -5.669 -13.627 -4.888 1.00 0.00 H new ATOM 0 HB2 SER A 47 -5.217 -10.927 -6.207 1.00 0.00 H new ATOM 0 HB3 SER A 47 -6.243 -12.229 -6.775 1.00 0.00 H new ATOM 0 HG SER A 47 -6.641 -10.447 -4.601 1.00 0.00 H new ATOM 580 N ASN A 48 -2.673 -13.133 -5.075 1.00 0.00 N ATOM 581 CA ASN A 48 -1.388 -13.500 -5.658 1.00 0.00 C ATOM 582 C ASN A 48 -0.844 -14.769 -5.007 1.00 0.00 C ATOM 583 O ASN A 48 -1.600 -15.553 -4.433 1.00 0.00 O ATOM 584 CB ASN A 48 -0.386 -12.353 -5.494 1.00 0.00 C ATOM 585 CG ASN A 48 0.412 -12.096 -6.757 1.00 0.00 C ATOM 586 OD1 ASN A 48 0.866 -13.168 -7.399 1.00 0.00 O flip ATOM 587 ND2 ASN A 48 0.618 -10.949 -7.154 1.00 0.00 N flip ATOM 0 H ASN A 48 -2.630 -12.880 -4.088 1.00 0.00 H new ATOM 0 HA ASN A 48 -1.535 -13.693 -6.721 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.920 -11.445 -5.214 1.00 0.00 H new ATOM 0 HB3 ASN A 48 0.297 -12.585 -4.677 1.00 0.00 H new ATOM 0 HD21 ASN A 48 0.251 -10.154 -6.630 1.00 0.00 H new ATOM 0 HD22 ASN A 48 1.156 -10.793 -8.007 1.00 0.00 H new ATOM 592 N GLN A 49 0.468 -14.966 -5.096 1.00 0.00 N ATOM 593 CA GLN A 49 1.108 -16.140 -4.514 1.00 0.00 C ATOM 594 C GLN A 49 1.765 -15.798 -3.181 1.00 0.00 C ATOM 595 O GLN A 49 2.419 -16.640 -2.565 1.00 0.00 O ATOM 596 CB GLN A 49 2.151 -16.708 -5.478 1.00 0.00 C ATOM 597 CG GLN A 49 2.174 -18.226 -5.526 1.00 0.00 C ATOM 598 CD GLN A 49 2.461 -18.760 -6.916 1.00 0.00 C ATOM 599 OE1 GLN A 49 1.644 -19.468 -7.501 1.00 0.00 O ATOM 600 NE2 GLN A 49 3.628 -18.419 -7.451 1.00 0.00 N ATOM 0 H GLN A 49 1.109 -14.327 -5.566 1.00 0.00 H new ATOM 0 HA GLN A 49 0.339 -16.891 -4.337 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.955 -16.324 -6.479 1.00 0.00 H new ATOM 0 HB3 GLN A 49 3.137 -16.347 -5.186 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.931 -18.596 -4.835 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.214 -18.611 -5.184 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.276 -17.829 -6.929 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.876 -18.747 -8.384 1.00 0.00 H new ATOM 605 N SER A 50 1.587 -14.555 -2.740 1.00 0.00 N ATOM 606 CA SER A 50 2.164 -14.100 -1.479 1.00 0.00 C ATOM 607 C SER A 50 1.347 -14.598 -0.291 1.00 0.00 C ATOM 608 O SER A 50 1.824 -15.408 0.505 1.00 0.00 O ATOM 609 CB SER A 50 2.245 -12.573 -1.456 1.00 0.00 C ATOM 610 OG SER A 50 2.134 -12.076 -0.132 1.00 0.00 O ATOM 0 H SER A 50 1.048 -13.846 -3.237 1.00 0.00 H new ATOM 0 HA SER A 50 3.170 -14.513 -1.399 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.190 -12.249 -1.891 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.450 -12.154 -2.073 1.00 0.00 H new ATOM 0 HG SER A 50 2.761 -11.333 -0.008 1.00 0.00 H new ATOM 614 N VAL A 51 0.115 -14.110 -0.176 1.00 0.00 N ATOM 615 CA VAL A 51 -0.767 -14.505 0.917 1.00 0.00 C ATOM 616 C VAL A 51 -2.064 -15.105 0.391 1.00 0.00 C ATOM 617 O VAL A 51 -2.310 -15.127 -0.814 1.00 0.00 O ATOM 618 CB VAL A 51 -1.116 -13.310 1.827 1.00 0.00 C ATOM 619 CG1 VAL A 51 0.118 -12.810 2.561 1.00 0.00 C ATOM 620 CG2 VAL A 51 -1.752 -12.189 1.021 1.00 0.00 C ATOM 0 H VAL A 51 -0.295 -13.440 -0.827 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.224 -15.252 1.496 1.00 0.00 H new ATOM 0 HB VAL A 51 -1.838 -13.649 2.570 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.153 -11.967 3.196 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.525 -13.612 3.177 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.868 -12.492 1.837 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.990 -11.356 1.682 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.056 -11.854 0.251 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.666 -12.552 0.551 1.00 0.00 H new ATOM 630 N ARG A 52 -2.892 -15.583 1.312 1.00 0.00 N ATOM 631 CA ARG A 52 -4.173 -16.177 0.962 1.00 0.00 C ATOM 632 C ARG A 52 -5.301 -15.480 1.710 1.00 0.00 C ATOM 633 O ARG A 52 -6.243 -14.972 1.104 1.00 0.00 O ATOM 634 CB ARG A 52 -4.174 -17.668 1.281 1.00 0.00 C ATOM 635 CG ARG A 52 -3.264 -18.477 0.379 1.00 0.00 C ATOM 636 CD ARG A 52 -3.866 -19.836 0.105 1.00 0.00 C ATOM 637 NE ARG A 52 -4.221 -20.008 -1.301 1.00 0.00 N ATOM 638 CZ ARG A 52 -5.462 -19.901 -1.768 1.00 0.00 C ATOM 639 NH1 ARG A 52 -6.464 -19.619 -0.945 1.00 0.00 N ATOM 640 NH2 ARG A 52 -5.701 -20.073 -3.059 1.00 0.00 N ATOM 0 H ARG A 52 -2.696 -15.570 2.313 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.331 -16.050 -0.109 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.867 -17.811 2.317 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.191 -18.050 1.195 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.107 -17.946 -0.560 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -2.287 -18.593 0.847 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.157 -20.611 0.397 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -4.755 -19.969 0.721 1.00 0.00 H new ATOM 0 HE ARG A 52 -3.475 -20.222 -1.963 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -6.284 -19.483 0.050 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -7.414 -19.538 -1.307 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -4.933 -20.288 -3.696 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -6.653 -19.991 -3.417 1.00 0.00 H new ATOM 648 N ASN A 53 -5.192 -15.451 3.033 1.00 0.00 N ATOM 649 CA ASN A 53 -6.194 -14.805 3.869 1.00 0.00 C ATOM 650 C ASN A 53 -5.953 -13.299 3.928 1.00 0.00 C ATOM 651 O ASN A 53 -4.835 -12.833 3.709 1.00 0.00 O ATOM 652 CB ASN A 53 -6.176 -15.396 5.281 1.00 0.00 C ATOM 653 CG ASN A 53 -5.592 -16.795 5.314 1.00 0.00 C ATOM 654 OD1 ASN A 53 -4.517 -17.018 5.872 1.00 0.00 O ATOM 655 ND2 ASN A 53 -6.299 -17.747 4.716 1.00 0.00 N ATOM 0 H ASN A 53 -4.418 -15.868 3.550 1.00 0.00 H new ATOM 0 HA ASN A 53 -7.174 -14.984 3.427 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -5.595 -14.747 5.936 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -7.192 -15.420 5.675 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -5.956 -18.708 4.707 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -7.185 -17.518 4.266 1.00 0.00 H new ATOM 660 N ARG A 54 -7.004 -12.545 4.232 1.00 0.00 N ATOM 661 CA ARG A 54 -6.895 -11.093 4.326 1.00 0.00 C ATOM 662 C ARG A 54 -5.971 -10.696 5.472 1.00 0.00 C ATOM 663 O ARG A 54 -5.256 -9.695 5.388 1.00 0.00 O ATOM 664 CB ARG A 54 -8.269 -10.465 4.525 1.00 0.00 C ATOM 665 CG ARG A 54 -8.461 -9.171 3.753 1.00 0.00 C ATOM 666 CD ARG A 54 -9.722 -9.205 2.907 1.00 0.00 C ATOM 667 NE ARG A 54 -10.913 -9.471 3.709 1.00 0.00 N ATOM 668 CZ ARG A 54 -12.039 -9.971 3.214 1.00 0.00 C ATOM 669 NH1 ARG A 54 -12.136 -10.246 1.919 1.00 0.00 N ATOM 670 NH2 ARG A 54 -13.073 -10.196 4.013 1.00 0.00 N ATOM 0 H ARG A 54 -7.937 -12.913 4.417 1.00 0.00 H new ATOM 0 HA ARG A 54 -6.472 -10.724 3.392 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -9.034 -11.179 4.218 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -8.421 -10.271 5.587 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -8.513 -8.335 4.451 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -7.597 -8.998 3.112 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -9.838 -8.252 2.391 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -9.623 -9.973 2.140 1.00 0.00 H new ATOM 0 HE ARG A 54 -10.878 -9.261 4.706 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -11.344 -10.073 1.300 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -13.003 -10.630 1.543 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -13.004 -9.985 5.009 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -13.938 -10.580 3.632 1.00 0.00 H new ATOM 678 N GLN A 55 -5.988 -11.488 6.538 1.00 0.00 N ATOM 679 CA GLN A 55 -5.149 -11.224 7.701 1.00 0.00 C ATOM 680 C GLN A 55 -3.672 -11.352 7.341 1.00 0.00 C ATOM 681 O GLN A 55 -2.844 -10.562 7.796 1.00 0.00 O ATOM 682 CB GLN A 55 -5.494 -12.186 8.835 1.00 0.00 C ATOM 683 CG GLN A 55 -6.044 -11.497 10.074 1.00 0.00 C ATOM 684 CD GLN A 55 -7.519 -11.163 9.950 1.00 0.00 C ATOM 685 OE1 GLN A 55 -7.985 -10.738 8.894 1.00 0.00 O ATOM 686 NE2 GLN A 55 -8.262 -11.355 11.034 1.00 0.00 N ATOM 0 H GLN A 55 -6.574 -12.319 6.621 1.00 0.00 H new ATOM 0 HA GLN A 55 -5.339 -10.203 8.033 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -6.227 -12.909 8.476 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -4.600 -12.747 9.108 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -5.893 -12.141 10.940 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -5.482 -10.581 10.255 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -7.834 -11.709 11.889 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -9.261 -11.148 11.011 1.00 0.00 H new ATOM 691 N GLU A 56 -3.352 -12.349 6.521 1.00 0.00 N ATOM 692 CA GLU A 56 -1.975 -12.577 6.098 1.00 0.00 C ATOM 693 C GLU A 56 -1.453 -11.400 5.283 1.00 0.00 C ATOM 694 O GLU A 56 -0.352 -10.908 5.522 1.00 0.00 O ATOM 695 CB GLU A 56 -1.876 -13.865 5.279 1.00 0.00 C ATOM 696 CG GLU A 56 -1.014 -14.934 5.931 1.00 0.00 C ATOM 697 CD GLU A 56 -0.179 -15.703 4.926 1.00 0.00 C ATOM 698 OE1 GLU A 56 -0.764 -16.472 4.134 1.00 0.00 O ATOM 699 OE2 GLU A 56 1.059 -15.538 4.932 1.00 0.00 O ATOM 0 H GLU A 56 -4.027 -13.011 6.137 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.360 -12.676 6.992 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.878 -14.264 5.122 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.468 -13.630 4.296 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.355 -14.467 6.664 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.653 -15.630 6.474 1.00 0.00 H new ATOM 702 N GLY A 57 -2.253 -10.950 4.322 1.00 0.00 N ATOM 703 CA GLY A 57 -1.853 -9.832 3.488 1.00 0.00 C ATOM 704 C GLY A 57 -1.838 -8.519 4.246 1.00 0.00 C ATOM 705 O GLY A 57 -1.224 -7.547 3.806 1.00 0.00 O ATOM 0 H GLY A 57 -3.171 -11.339 4.106 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.861 -10.024 3.080 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.535 -9.752 2.642 1.00 0.00 H new ATOM 709 N LEU A 58 -2.517 -8.492 5.389 1.00 0.00 N ATOM 710 CA LEU A 58 -2.581 -7.289 6.213 1.00 0.00 C ATOM 711 C LEU A 58 -1.275 -7.076 6.976 1.00 0.00 C ATOM 712 O LEU A 58 -0.785 -5.953 7.076 1.00 0.00 O ATOM 713 CB LEU A 58 -3.750 -7.382 7.195 1.00 0.00 C ATOM 714 CG LEU A 58 -4.598 -6.114 7.319 1.00 0.00 C ATOM 715 CD1 LEU A 58 -5.976 -6.446 7.869 1.00 0.00 C ATOM 716 CD2 LEU A 58 -3.901 -5.090 8.202 1.00 0.00 C ATOM 0 H LEU A 58 -3.030 -9.289 5.766 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.735 -6.436 5.553 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.397 -8.204 6.889 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.357 -7.635 8.180 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.720 -5.683 6.325 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.565 -5.532 7.950 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.478 -7.143 7.197 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -5.875 -6.901 8.854 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.519 -4.195 8.279 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.747 -5.511 9.196 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.937 -4.829 7.765 1.00 0.00 H new ATOM 726 N MET A 59 -0.719 -8.161 7.513 1.00 0.00 N ATOM 727 CA MET A 59 0.530 -8.079 8.265 1.00 0.00 C ATOM 728 C MET A 59 1.721 -7.884 7.332 1.00 0.00 C ATOM 729 O MET A 59 2.639 -7.120 7.634 1.00 0.00 O ATOM 730 CB MET A 59 0.727 -9.330 9.123 1.00 0.00 C ATOM 731 CG MET A 59 0.731 -10.613 8.318 1.00 0.00 C ATOM 732 SD MET A 59 1.971 -11.793 8.889 1.00 0.00 S ATOM 733 CE MET A 59 3.478 -10.856 8.633 1.00 0.00 C ATOM 0 H MET A 59 -1.111 -9.100 7.442 1.00 0.00 H new ATOM 0 HA MET A 59 0.467 -7.212 8.922 1.00 0.00 H new ATOM 0 HB2 MET A 59 1.669 -9.246 9.665 1.00 0.00 H new ATOM 0 HB3 MET A 59 -0.066 -9.379 9.869 1.00 0.00 H new ATOM 0 HG2 MET A 59 -0.255 -11.074 8.373 1.00 0.00 H new ATOM 0 HG3 MET A 59 0.915 -10.378 7.270 1.00 0.00 H new ATOM 0 HE1 MET A 59 4.265 -11.522 8.279 1.00 0.00 H new ATOM 0 HE2 MET A 59 3.301 -10.077 7.891 1.00 0.00 H new ATOM 0 HE3 MET A 59 3.786 -10.398 9.573 1.00 0.00 H new ATOM 739 N ILE A 60 1.702 -8.573 6.192 1.00 0.00 N ATOM 740 CA ILE A 60 2.780 -8.462 5.217 1.00 0.00 C ATOM 741 C ILE A 60 2.893 -7.026 4.714 1.00 0.00 C ATOM 742 O ILE A 60 3.983 -6.451 4.683 1.00 0.00 O ATOM 743 CB ILE A 60 2.563 -9.407 4.017 1.00 0.00 C ATOM 744 CG1 ILE A 60 2.508 -10.866 4.487 1.00 0.00 C ATOM 745 CG2 ILE A 60 3.661 -9.218 2.977 1.00 0.00 C ATOM 746 CD1 ILE A 60 3.817 -11.382 5.050 1.00 0.00 C ATOM 0 H ILE A 60 0.953 -9.212 5.923 1.00 0.00 H new ATOM 0 HA ILE A 60 3.703 -8.751 5.719 1.00 0.00 H new ATOM 0 HB ILE A 60 1.609 -9.159 3.552 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.734 -10.963 5.248 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.211 -11.496 3.649 1.00 0.00 H new ATOM 0 HG21 ILE A 60 3.489 -9.894 2.139 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.651 -8.188 2.620 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.630 -9.437 3.427 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.696 -12.420 5.360 1.00 0.00 H new ATOM 0 HD12 ILE A 60 4.592 -11.320 4.286 1.00 0.00 H new ATOM 0 HD13 ILE A 60 4.106 -10.778 5.910 1.00 0.00 H new ATOM 756 N ALA A 61 1.755 -6.449 4.339 1.00 0.00 N ATOM 757 CA ALA A 61 1.721 -5.076 3.856 1.00 0.00 C ATOM 758 C ALA A 61 2.246 -4.131 4.929 1.00 0.00 C ATOM 759 O ALA A 61 2.891 -3.122 4.628 1.00 0.00 O ATOM 760 CB ALA A 61 0.307 -4.691 3.452 1.00 0.00 C ATOM 0 H ALA A 61 0.846 -6.912 4.361 1.00 0.00 H new ATOM 0 HA ALA A 61 2.362 -4.997 2.978 1.00 0.00 H new ATOM 0 HB1 ALA A 61 0.299 -3.662 3.093 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -0.038 -5.355 2.659 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.355 -4.780 4.314 1.00 0.00 H new ATOM 766 N SER A 62 1.981 -4.477 6.186 1.00 0.00 N ATOM 767 CA SER A 62 2.438 -3.676 7.312 1.00 0.00 C ATOM 768 C SER A 62 3.959 -3.620 7.317 1.00 0.00 C ATOM 769 O SER A 62 4.553 -2.589 7.629 1.00 0.00 O ATOM 770 CB SER A 62 1.928 -4.261 8.630 1.00 0.00 C ATOM 771 OG SER A 62 0.863 -3.487 9.152 1.00 0.00 O ATOM 0 H SER A 62 1.451 -5.308 6.448 1.00 0.00 H new ATOM 0 HA SER A 62 2.041 -2.666 7.209 1.00 0.00 H new ATOM 0 HB2 SER A 62 1.593 -5.286 8.471 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.742 -4.300 9.354 1.00 0.00 H new ATOM 0 HG SER A 62 0.553 -3.882 9.994 1.00 0.00 H new ATOM 775 N SER A 63 4.579 -4.740 6.952 1.00 0.00 N ATOM 776 CA SER A 63 6.032 -4.824 6.893 1.00 0.00 C ATOM 777 C SER A 63 6.561 -3.913 5.792 1.00 0.00 C ATOM 778 O SER A 63 7.620 -3.300 5.931 1.00 0.00 O ATOM 779 CB SER A 63 6.475 -6.266 6.640 1.00 0.00 C ATOM 780 OG SER A 63 7.433 -6.681 7.597 1.00 0.00 O ATOM 0 H SER A 63 4.096 -5.600 6.693 1.00 0.00 H new ATOM 0 HA SER A 63 6.440 -4.499 7.850 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.609 -6.927 6.677 1.00 0.00 H new ATOM 0 HB3 SER A 63 6.897 -6.350 5.639 1.00 0.00 H new ATOM 0 HG SER A 63 7.698 -7.606 7.414 1.00 0.00 H new ATOM 784 N LEU A 64 5.804 -3.825 4.700 1.00 0.00 N ATOM 785 CA LEU A 64 6.177 -2.980 3.570 1.00 0.00 C ATOM 786 C LEU A 64 6.395 -1.543 4.031 1.00 0.00 C ATOM 787 O LEU A 64 7.462 -0.966 3.819 1.00 0.00 O ATOM 788 CB LEU A 64 5.086 -3.019 2.498 1.00 0.00 C ATOM 789 CG LEU A 64 5.430 -3.826 1.248 1.00 0.00 C ATOM 790 CD1 LEU A 64 4.205 -4.571 0.743 1.00 0.00 C ATOM 791 CD2 LEU A 64 5.991 -2.918 0.166 1.00 0.00 C ATOM 0 H LEU A 64 4.927 -4.330 4.575 1.00 0.00 H new ATOM 0 HA LEU A 64 7.107 -3.360 3.147 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.180 -3.433 2.940 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.856 -1.996 2.199 1.00 0.00 H new ATOM 0 HG LEU A 64 6.193 -4.559 1.508 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.468 -5.141 -0.148 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.848 -5.251 1.517 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.420 -3.856 0.498 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.231 -3.510 -0.717 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.251 -2.161 -0.094 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.895 -2.431 0.532 1.00 0.00 H new ATOM 801 N LEU A 65 5.374 -0.974 4.666 1.00 0.00 N ATOM 802 CA LEU A 65 5.448 0.396 5.165 1.00 0.00 C ATOM 803 C LEU A 65 6.427 0.494 6.330 1.00 0.00 C ATOM 804 O LEU A 65 7.068 1.527 6.529 1.00 0.00 O ATOM 805 CB LEU A 65 4.057 0.877 5.597 1.00 0.00 C ATOM 806 CG LEU A 65 4.025 2.213 6.348 1.00 0.00 C ATOM 807 CD1 LEU A 65 4.689 3.310 5.530 1.00 0.00 C ATOM 808 CD2 LEU A 65 2.591 2.595 6.687 1.00 0.00 C ATOM 0 H LEU A 65 4.485 -1.441 4.847 1.00 0.00 H new ATOM 0 HA LEU A 65 5.809 1.037 4.360 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.430 0.964 4.710 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.608 0.113 6.231 1.00 0.00 H new ATOM 0 HG LEU A 65 4.584 2.097 7.277 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.654 4.248 6.083 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.727 3.041 5.336 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.162 3.427 4.583 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.584 3.546 7.220 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.013 2.690 5.768 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.148 1.823 7.316 1.00 0.00 H new ATOM 818 N ASN A 66 6.543 -0.589 7.094 1.00 0.00 N ATOM 819 CA ASN A 66 7.449 -0.628 8.235 1.00 0.00 C ATOM 820 C ASN A 66 8.890 -0.429 7.782 1.00 0.00 C ATOM 821 O ASN A 66 9.720 0.098 8.525 1.00 0.00 O ATOM 822 CB ASN A 66 7.314 -1.961 8.976 1.00 0.00 C ATOM 823 CG ASN A 66 7.778 -1.875 10.416 1.00 0.00 C ATOM 824 OD1 ASN A 66 8.347 -0.869 10.840 1.00 0.00 O ATOM 825 ND2 ASN A 66 7.536 -2.935 11.177 1.00 0.00 N ATOM 0 H ASN A 66 6.020 -1.451 6.942 1.00 0.00 H new ATOM 0 HA ASN A 66 7.181 0.183 8.913 1.00 0.00 H new ATOM 0 HB2 ASN A 66 6.273 -2.282 8.952 1.00 0.00 H new ATOM 0 HB3 ASN A 66 7.895 -2.723 8.456 1.00 0.00 H new ATOM 0 HD21 ASN A 66 7.825 -2.937 12.155 1.00 0.00 H new ATOM 0 HD22 ASN A 66 7.061 -3.748 10.784 1.00 0.00 H new ATOM 830 N GLU A 67 9.178 -0.849 6.554 1.00 0.00 N ATOM 831 CA GLU A 67 10.516 -0.714 5.990 1.00 0.00 C ATOM 832 C GLU A 67 10.673 0.635 5.299 1.00 0.00 C ATOM 833 O GLU A 67 11.787 1.055 4.980 1.00 0.00 O ATOM 834 CB GLU A 67 10.790 -1.845 4.997 1.00 0.00 C ATOM 835 CG GLU A 67 11.423 -3.075 5.631 1.00 0.00 C ATOM 836 CD GLU A 67 12.888 -2.870 5.963 1.00 0.00 C ATOM 837 OE1 GLU A 67 13.602 -2.253 5.144 1.00 0.00 O ATOM 838 OE2 GLU A 67 13.322 -3.327 7.041 1.00 0.00 O ATOM 0 H GLU A 67 8.501 -1.287 5.929 1.00 0.00 H new ATOM 0 HA GLU A 67 11.238 -0.775 6.804 1.00 0.00 H new ATOM 0 HB2 GLU A 67 9.853 -2.134 4.521 1.00 0.00 H new ATOM 0 HB3 GLU A 67 11.446 -1.474 4.210 1.00 0.00 H new ATOM 0 HG2 GLU A 67 10.880 -3.330 6.541 1.00 0.00 H new ATOM 0 HG3 GLU A 67 11.323 -3.922 4.952 1.00 0.00 H new ATOM 841 N GLY A 68 9.550 1.310 5.070 1.00 0.00 N ATOM 842 CA GLY A 68 9.579 2.606 4.417 1.00 0.00 C ATOM 843 C GLY A 68 9.282 2.508 2.934 1.00 0.00 C ATOM 844 O GLY A 68 9.481 3.467 2.188 1.00 0.00 O ATOM 0 H GLY A 68 8.619 0.981 5.326 1.00 0.00 H new ATOM 0 HA2 GLY A 68 8.850 3.265 4.889 1.00 0.00 H new ATOM 0 HA3 GLY A 68 10.559 3.061 4.560 1.00 0.00 H new ATOM 848 N TYR A 69 8.807 1.341 2.509 1.00 0.00 N ATOM 849 CA TYR A 69 8.481 1.109 1.109 1.00 0.00 C ATOM 850 C TYR A 69 7.282 1.946 0.677 1.00 0.00 C ATOM 851 O TYR A 69 7.317 2.607 -0.359 1.00 0.00 O ATOM 852 CB TYR A 69 8.188 -0.372 0.874 1.00 0.00 C ATOM 853 CG TYR A 69 9.421 -1.252 0.871 1.00 0.00 C ATOM 854 CD1 TYR A 69 10.517 -0.946 0.072 1.00 0.00 C ATOM 855 CD2 TYR A 69 9.485 -2.388 1.665 1.00 0.00 C ATOM 856 CE1 TYR A 69 11.641 -1.749 0.068 1.00 0.00 C ATOM 857 CE2 TYR A 69 10.605 -3.198 1.664 1.00 0.00 C ATOM 858 CZ TYR A 69 11.679 -2.874 0.864 1.00 0.00 C ATOM 859 OH TYR A 69 12.797 -3.678 0.861 1.00 0.00 O ATOM 0 H TYR A 69 8.639 0.540 3.118 1.00 0.00 H new ATOM 0 HA TYR A 69 9.342 1.407 0.510 1.00 0.00 H new ATOM 0 HB2 TYR A 69 7.505 -0.724 1.647 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.673 -0.483 -0.080 1.00 0.00 H new ATOM 0 HD1 TYR A 69 10.489 -0.067 -0.555 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.645 -2.644 2.294 1.00 0.00 H new ATOM 0 HE1 TYR A 69 12.486 -1.497 -0.556 1.00 0.00 H new ATOM 0 HE2 TYR A 69 10.638 -4.080 2.287 1.00 0.00 H new ATOM 0 HH TYR A 69 12.662 -4.428 1.477 1.00 0.00 H new ATOM 867 N LEU A 70 6.221 1.908 1.478 1.00 0.00 N ATOM 868 CA LEU A 70 5.006 2.659 1.176 1.00 0.00 C ATOM 869 C LEU A 70 5.061 4.056 1.787 1.00 0.00 C ATOM 870 O LEU A 70 5.959 4.368 2.569 1.00 0.00 O ATOM 871 CB LEU A 70 3.777 1.909 1.701 1.00 0.00 C ATOM 872 CG LEU A 70 2.994 1.110 0.655 1.00 0.00 C ATOM 873 CD1 LEU A 70 2.267 2.047 -0.293 1.00 0.00 C ATOM 874 CD2 LEU A 70 3.921 0.178 -0.117 1.00 0.00 C ATOM 0 H LEU A 70 6.178 1.366 2.341 1.00 0.00 H new ATOM 0 HA LEU A 70 4.930 2.760 0.093 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.098 1.227 2.488 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.102 2.631 2.161 1.00 0.00 H new ATOM 0 HG LEU A 70 2.254 0.500 1.173 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.716 1.463 -1.030 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.572 2.668 0.272 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.991 2.683 -0.802 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.344 -0.380 -0.855 1.00 0.00 H new ATOM 0 HD22 LEU A 70 4.687 0.765 -0.624 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.395 -0.518 0.575 1.00 0.00 H new ATOM 884 N GLN A 71 4.090 4.889 1.427 1.00 0.00 N ATOM 885 CA GLN A 71 4.019 6.250 1.937 1.00 0.00 C ATOM 886 C GLN A 71 2.567 6.648 2.200 1.00 0.00 C ATOM 887 O GLN A 71 1.838 7.010 1.276 1.00 0.00 O ATOM 888 CB GLN A 71 4.663 7.224 0.951 1.00 0.00 C ATOM 889 CG GLN A 71 5.482 8.316 1.620 1.00 0.00 C ATOM 890 CD GLN A 71 6.962 8.206 1.315 1.00 0.00 C ATOM 891 OE1 GLN A 71 7.761 7.837 2.177 1.00 0.00 O ATOM 892 NE2 GLN A 71 7.338 8.526 0.081 1.00 0.00 N ATOM 0 H GLN A 71 3.340 4.642 0.782 1.00 0.00 H new ATOM 0 HA GLN A 71 4.567 6.293 2.878 1.00 0.00 H new ATOM 0 HB2 GLN A 71 5.305 6.666 0.269 1.00 0.00 H new ATOM 0 HB3 GLN A 71 3.882 7.686 0.347 1.00 0.00 H new ATOM 0 HG2 GLN A 71 5.119 9.290 1.292 1.00 0.00 H new ATOM 0 HG3 GLN A 71 5.333 8.267 2.699 1.00 0.00 H new ATOM 0 HE21 GLN A 71 6.643 8.827 -0.602 1.00 0.00 H new ATOM 0 HE22 GLN A 71 8.322 8.471 -0.183 1.00 0.00 H new ATOM 897 N PRO A 72 2.124 6.573 3.469 1.00 0.00 N ATOM 898 CA PRO A 72 0.753 6.914 3.864 1.00 0.00 C ATOM 899 C PRO A 72 0.328 8.307 3.407 1.00 0.00 C ATOM 900 O PRO A 72 1.122 9.248 3.423 1.00 0.00 O ATOM 901 CB PRO A 72 0.799 6.845 5.400 1.00 0.00 C ATOM 902 CG PRO A 72 2.244 6.860 5.747 1.00 0.00 C ATOM 903 CD PRO A 72 2.915 6.143 4.628 1.00 0.00 C ATOM 0 HA PRO A 72 0.026 6.241 3.409 1.00 0.00 H new ATOM 0 HB2 PRO A 72 0.278 7.691 5.848 1.00 0.00 H new ATOM 0 HB3 PRO A 72 0.315 5.941 5.768 1.00 0.00 H new ATOM 0 HG2 PRO A 72 2.617 7.880 5.842 1.00 0.00 H new ATOM 0 HG3 PRO A 72 2.426 6.363 6.700 1.00 0.00 H new ATOM 0 HD2 PRO A 72 3.963 6.426 4.533 1.00 0.00 H new ATOM 0 HD3 PRO A 72 2.887 5.062 4.762 1.00 0.00 H new ATOM 905 N ALA A 73 -0.936 8.426 3.006 1.00 0.00 N ATOM 906 CA ALA A 73 -1.486 9.698 2.549 1.00 0.00 C ATOM 907 C ALA A 73 -2.858 9.948 3.169 1.00 0.00 C ATOM 908 O ALA A 73 -3.708 9.056 3.197 1.00 0.00 O ATOM 909 CB ALA A 73 -1.576 9.726 1.028 1.00 0.00 C ATOM 0 H ALA A 73 -1.600 7.652 2.989 1.00 0.00 H new ATOM 0 HA ALA A 73 -0.815 10.494 2.871 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.988 10.682 0.705 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.581 9.598 0.602 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -2.223 8.918 0.687 1.00 0.00 H new ATOM 915 N GLY A 74 -3.066 11.163 3.667 1.00 0.00 N ATOM 916 CA GLY A 74 -4.336 11.508 4.282 1.00 0.00 C ATOM 917 C GLY A 74 -4.179 11.981 5.714 1.00 0.00 C ATOM 918 O GLY A 74 -3.078 11.950 6.266 1.00 0.00 O ATOM 0 H GLY A 74 -2.378 11.916 3.656 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -4.819 12.290 3.696 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -4.994 10.640 4.260 1.00 0.00 H new ATOM 922 N ASP A 75 -5.279 12.418 6.319 1.00 0.00 N ATOM 923 CA ASP A 75 -5.257 12.899 7.697 1.00 0.00 C ATOM 924 C ASP A 75 -5.452 11.748 8.679 1.00 0.00 C ATOM 925 O ASP A 75 -5.251 11.906 9.882 1.00 0.00 O ATOM 926 CB ASP A 75 -6.346 13.954 7.911 1.00 0.00 C ATOM 927 CG ASP A 75 -5.824 15.366 7.742 1.00 0.00 C ATOM 928 OD1 ASP A 75 -4.989 15.793 8.566 1.00 0.00 O ATOM 929 OD2 ASP A 75 -6.252 16.047 6.786 1.00 0.00 O ATOM 0 H ASP A 75 -6.198 12.449 5.877 1.00 0.00 H new ATOM 0 HA ASP A 75 -4.282 13.350 7.880 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -7.158 13.783 7.204 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -6.765 13.842 8.911 1.00 0.00 H new ATOM 932 N MET A 76 -5.847 10.591 8.155 1.00 0.00 N ATOM 933 CA MET A 76 -6.071 9.411 8.986 1.00 0.00 C ATOM 934 C MET A 76 -4.768 8.654 9.217 1.00 0.00 C ATOM 935 O MET A 76 -4.374 8.411 10.358 1.00 0.00 O ATOM 936 CB MET A 76 -7.100 8.487 8.332 1.00 0.00 C ATOM 937 CG MET A 76 -7.684 7.457 9.285 1.00 0.00 C ATOM 938 SD MET A 76 -8.442 6.065 8.423 1.00 0.00 S ATOM 939 CE MET A 76 -10.101 6.110 9.099 1.00 0.00 C ATOM 0 H MET A 76 -6.018 10.445 7.160 1.00 0.00 H new ATOM 0 HA MET A 76 -6.454 9.745 9.950 1.00 0.00 H new ATOM 0 HB2 MET A 76 -7.910 9.091 7.922 1.00 0.00 H new ATOM 0 HB3 MET A 76 -6.632 7.970 7.494 1.00 0.00 H new ATOM 0 HG2 MET A 76 -6.896 7.088 9.942 1.00 0.00 H new ATOM 0 HG3 MET A 76 -8.430 7.936 9.920 1.00 0.00 H new ATOM 0 HE1 MET A 76 -10.694 5.307 8.662 1.00 0.00 H new ATOM 0 HE2 MET A 76 -10.057 5.981 10.180 1.00 0.00 H new ATOM 0 HE3 MET A 76 -10.563 7.070 8.867 1.00 0.00 H new ATOM 945 N SER A 77 -4.105 8.279 8.126 1.00 0.00 N ATOM 946 CA SER A 77 -2.845 7.547 8.210 1.00 0.00 C ATOM 947 C SER A 77 -1.753 8.409 8.835 1.00 0.00 C ATOM 948 O SER A 77 -0.768 7.891 9.365 1.00 0.00 O ATOM 949 CB SER A 77 -2.410 7.079 6.819 1.00 0.00 C ATOM 950 OG SER A 77 -2.207 8.180 5.951 1.00 0.00 O ATOM 0 H SER A 77 -4.419 8.470 7.175 1.00 0.00 H new ATOM 0 HA SER A 77 -3.002 6.676 8.847 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.490 6.500 6.898 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.168 6.417 6.401 1.00 0.00 H new ATOM 0 HG SER A 77 -2.854 8.141 5.216 1.00 0.00 H new ATOM 954 N LYS A 78 -1.933 9.724 8.771 1.00 0.00 N ATOM 955 CA LYS A 78 -0.963 10.659 9.334 1.00 0.00 C ATOM 956 C LYS A 78 -1.116 10.757 10.849 1.00 0.00 C ATOM 957 O LYS A 78 -0.164 11.074 11.561 1.00 0.00 O ATOM 958 CB LYS A 78 -1.131 12.041 8.698 1.00 0.00 C ATOM 959 CG LYS A 78 -0.106 13.061 9.169 1.00 0.00 C ATOM 960 CD LYS A 78 1.255 12.823 8.536 1.00 0.00 C ATOM 961 CE LYS A 78 2.313 13.739 9.131 1.00 0.00 C ATOM 962 NZ LYS A 78 3.323 14.153 8.119 1.00 0.00 N ATOM 0 H LYS A 78 -2.741 10.167 8.335 1.00 0.00 H new ATOM 0 HA LYS A 78 0.037 10.285 9.115 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.061 11.943 7.615 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -2.131 12.414 8.921 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -0.452 14.065 8.922 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -0.016 13.012 10.254 1.00 0.00 H new ATOM 0 HD2 LYS A 78 1.549 11.783 8.681 1.00 0.00 H new ATOM 0 HD3 LYS A 78 1.191 12.989 7.461 1.00 0.00 H new ATOM 0 HE2 LYS A 78 1.833 14.624 9.548 1.00 0.00 H new ATOM 0 HE3 LYS A 78 2.813 13.229 9.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 4.026 14.776 8.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 3.799 13.310 7.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 2.850 14.662 7.345 1.00 0.00 H new ATOM 968 N SER A 79 -2.325 10.481 11.335 1.00 0.00 N ATOM 969 CA SER A 79 -2.604 10.538 12.767 1.00 0.00 C ATOM 970 C SER A 79 -2.517 9.151 13.398 1.00 0.00 C ATOM 971 O SER A 79 -2.435 9.017 14.619 1.00 0.00 O ATOM 972 CB SER A 79 -3.991 11.133 13.012 1.00 0.00 C ATOM 973 OG SER A 79 -5.006 10.304 12.475 1.00 0.00 O ATOM 0 H SER A 79 -3.124 10.216 10.759 1.00 0.00 H new ATOM 0 HA SER A 79 -1.852 11.176 13.232 1.00 0.00 H new ATOM 0 HB2 SER A 79 -4.151 11.261 14.083 1.00 0.00 H new ATOM 0 HB3 SER A 79 -4.050 12.123 12.560 1.00 0.00 H new ATOM 0 HG SER A 79 -4.609 9.667 11.845 1.00 0.00 H new ATOM 977 N ALA A 80 -2.535 8.121 12.555 1.00 0.00 N ATOM 978 CA ALA A 80 -2.456 6.743 13.030 1.00 0.00 C ATOM 979 C ALA A 80 -1.019 6.357 13.355 1.00 0.00 C ATOM 980 O ALA A 80 -0.774 5.475 14.178 1.00 0.00 O ATOM 981 CB ALA A 80 -3.037 5.796 11.993 1.00 0.00 C ATOM 0 H ALA A 80 -2.603 8.215 11.542 1.00 0.00 H new ATOM 0 HA ALA A 80 -3.041 6.665 13.946 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -2.972 4.771 12.359 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -4.081 6.051 11.812 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -2.475 5.885 11.063 1.00 0.00 H new ATOM 1067 N PRO A 88 1.120 0.228 11.255 1.00 0.00 N ATOM 1068 CA PRO A 88 0.126 1.287 11.121 1.00 0.00 C ATOM 1069 C PRO A 88 -0.648 1.192 9.810 1.00 0.00 C ATOM 1070 O PRO A 88 -1.474 2.052 9.502 1.00 0.00 O ATOM 1071 CB PRO A 88 0.989 2.543 11.145 1.00 0.00 C ATOM 1072 CG PRO A 88 2.272 2.137 10.494 1.00 0.00 C ATOM 1073 CD PRO A 88 2.419 0.643 10.692 1.00 0.00 C ATOM 0 HA PRO A 88 -0.638 1.250 11.897 1.00 0.00 H new ATOM 0 HB2 PRO A 88 0.513 3.361 10.604 1.00 0.00 H new ATOM 0 HB3 PRO A 88 1.155 2.889 12.165 1.00 0.00 H new ATOM 0 HG2 PRO A 88 2.261 2.386 9.433 1.00 0.00 H new ATOM 0 HG3 PRO A 88 3.114 2.669 10.937 1.00 0.00 H new ATOM 0 HD2 PRO A 88 2.627 0.134 9.751 1.00 0.00 H new ATOM 0 HD3 PRO A 88 3.241 0.409 11.369 1.00 0.00 H new ATOM 1075 N PHE A 89 -0.374 0.142 9.043 1.00 0.00 N ATOM 1076 CA PHE A 89 -1.041 -0.069 7.763 1.00 0.00 C ATOM 1077 C PHE A 89 -2.535 -0.302 7.960 1.00 0.00 C ATOM 1078 O PHE A 89 -2.941 -1.184 8.716 1.00 0.00 O ATOM 1079 CB PHE A 89 -0.419 -1.260 7.032 1.00 0.00 C ATOM 1080 CG PHE A 89 -0.702 -1.280 5.556 1.00 0.00 C ATOM 1081 CD1 PHE A 89 0.135 -0.625 4.667 1.00 0.00 C ATOM 1082 CD2 PHE A 89 -1.805 -1.957 5.059 1.00 0.00 C ATOM 1083 CE1 PHE A 89 -0.124 -0.643 3.309 1.00 0.00 C ATOM 1084 CE2 PHE A 89 -2.067 -1.980 3.702 1.00 0.00 C ATOM 1085 CZ PHE A 89 -1.225 -1.322 2.826 1.00 0.00 C ATOM 0 H PHE A 89 0.307 -0.578 9.286 1.00 0.00 H new ATOM 0 HA PHE A 89 -0.909 0.829 7.159 1.00 0.00 H new ATOM 0 HB2 PHE A 89 0.660 -1.246 7.186 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.792 -2.183 7.477 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.999 -0.095 5.039 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.467 -2.472 5.740 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.534 -0.126 2.626 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.929 -2.512 3.327 1.00 0.00 H new ATOM 0 HZ PHE A 89 -1.428 -1.339 1.765 1.00 0.00 H new ATOM 1093 N LEU A 90 -3.348 0.495 7.273 1.00 0.00 N ATOM 1094 CA LEU A 90 -4.798 0.378 7.370 1.00 0.00 C ATOM 1095 C LEU A 90 -5.369 -0.329 6.146 1.00 0.00 C ATOM 1096 O LEU A 90 -5.007 -0.017 5.010 1.00 0.00 O ATOM 1097 CB LEU A 90 -5.433 1.762 7.519 1.00 0.00 C ATOM 1098 CG LEU A 90 -5.075 2.505 8.807 1.00 0.00 C ATOM 1099 CD1 LEU A 90 -5.419 3.982 8.683 1.00 0.00 C ATOM 1100 CD2 LEU A 90 -5.796 1.888 9.996 1.00 0.00 C ATOM 0 H LEU A 90 -3.026 1.229 6.643 1.00 0.00 H new ATOM 0 HA LEU A 90 -5.032 -0.218 8.252 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -5.134 2.375 6.669 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.517 1.655 7.469 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.001 2.414 8.970 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.158 4.495 9.608 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -4.859 4.418 7.856 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.487 4.092 8.496 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.530 2.429 10.904 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.873 1.949 9.840 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.503 0.843 10.097 1.00 0.00 H new ATOM 1110 N ASP A 91 -6.266 -1.283 6.384 1.00 0.00 N ATOM 1111 CA ASP A 91 -6.889 -2.035 5.302 1.00 0.00 C ATOM 1112 C ASP A 91 -8.259 -1.459 4.958 1.00 0.00 C ATOM 1113 O ASP A 91 -9.196 -2.196 4.647 1.00 0.00 O ATOM 1114 CB ASP A 91 -7.023 -3.510 5.691 1.00 0.00 C ATOM 1115 CG ASP A 91 -7.899 -3.710 6.911 1.00 0.00 C ATOM 1116 OD1 ASP A 91 -7.496 -3.273 8.010 1.00 0.00 O ATOM 1117 OD2 ASP A 91 -8.988 -4.304 6.769 1.00 0.00 O ATOM 0 H ASP A 91 -6.577 -1.552 7.317 1.00 0.00 H new ATOM 0 HA ASP A 91 -6.251 -1.955 4.421 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -7.440 -4.067 4.852 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -6.033 -3.922 5.887 1.00 0.00 H new ATOM 1120 N ASN A 92 -8.369 -0.136 5.018 1.00 0.00 N ATOM 1121 CA ASN A 92 -9.624 0.543 4.715 1.00 0.00 C ATOM 1122 C ASN A 92 -9.541 1.271 3.372 1.00 0.00 C ATOM 1123 O ASN A 92 -8.473 1.736 2.976 1.00 0.00 O ATOM 1124 CB ASN A 92 -9.970 1.535 5.826 1.00 0.00 C ATOM 1125 CG ASN A 92 -10.020 0.876 7.191 1.00 0.00 C ATOM 1126 OD1 ASN A 92 -9.328 1.294 8.120 1.00 0.00 O ATOM 1127 ND2 ASN A 92 -10.841 -0.159 7.319 1.00 0.00 N ATOM 0 H ASN A 92 -7.604 0.488 5.274 1.00 0.00 H new ATOM 0 HA ASN A 92 -10.410 -0.210 4.651 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -9.230 2.336 5.838 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -10.935 1.995 5.612 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -10.917 -0.642 8.214 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -11.396 -0.471 6.522 1.00 0.00 H new ATOM 1132 N PRO A 93 -10.674 1.379 2.651 1.00 0.00 N ATOM 1133 CA PRO A 93 -10.720 2.050 1.351 1.00 0.00 C ATOM 1134 C PRO A 93 -10.692 3.570 1.473 1.00 0.00 C ATOM 1135 O PRO A 93 -10.893 4.284 0.489 1.00 0.00 O ATOM 1136 CB PRO A 93 -12.051 1.588 0.763 1.00 0.00 C ATOM 1137 CG PRO A 93 -12.913 1.292 1.939 1.00 0.00 C ATOM 1138 CD PRO A 93 -11.996 0.850 3.046 1.00 0.00 C ATOM 0 HA PRO A 93 -9.854 1.802 0.737 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -12.494 2.361 0.134 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -11.920 0.705 0.138 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -13.480 2.175 2.235 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -13.637 0.513 1.702 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -12.313 1.249 4.010 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -11.979 -0.236 3.140 1.00 0.00 H new ATOM 1140 N ASP A 94 -10.439 4.063 2.682 1.00 0.00 N ATOM 1141 CA ASP A 94 -10.385 5.502 2.925 1.00 0.00 C ATOM 1142 C ASP A 94 -8.940 5.987 2.993 1.00 0.00 C ATOM 1143 O ASP A 94 -8.595 7.018 2.417 1.00 0.00 O ATOM 1144 CB ASP A 94 -11.116 5.852 4.222 1.00 0.00 C ATOM 1145 CG ASP A 94 -10.960 4.780 5.282 1.00 0.00 C ATOM 1146 OD1 ASP A 94 -9.876 4.709 5.900 1.00 0.00 O ATOM 1147 OD2 ASP A 94 -11.922 4.013 5.496 1.00 0.00 O ATOM 0 H ASP A 94 -10.268 3.489 3.508 1.00 0.00 H new ATOM 0 HA ASP A 94 -10.880 6.004 2.094 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -10.734 6.798 4.607 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -12.175 5.998 4.011 1.00 0.00 H new ATOM 1150 N ALA A 95 -8.101 5.234 3.696 1.00 0.00 N ATOM 1151 CA ALA A 95 -6.691 5.584 3.837 1.00 0.00 C ATOM 1152 C ALA A 95 -5.964 5.464 2.503 1.00 0.00 C ATOM 1153 O ALA A 95 -6.293 4.606 1.683 1.00 0.00 O ATOM 1154 CB ALA A 95 -6.031 4.699 4.883 1.00 0.00 C ATOM 0 H ALA A 95 -8.372 4.377 4.178 1.00 0.00 H new ATOM 0 HA ALA A 95 -6.628 6.622 4.164 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -4.980 4.970 4.978 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -6.530 4.836 5.843 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -6.110 3.655 4.579 1.00 0.00 H new ATOM 1160 N PHE A 96 -4.975 6.327 2.290 1.00 0.00 N ATOM 1161 CA PHE A 96 -4.206 6.312 1.050 1.00 0.00 C ATOM 1162 C PHE A 96 -2.796 5.778 1.282 1.00 0.00 C ATOM 1163 O PHE A 96 -2.229 5.933 2.363 1.00 0.00 O ATOM 1164 CB PHE A 96 -4.122 7.717 0.455 1.00 0.00 C ATOM 1165 CG PHE A 96 -5.394 8.186 -0.190 1.00 0.00 C ATOM 1166 CD1 PHE A 96 -5.902 7.542 -1.306 1.00 0.00 C ATOM 1167 CD2 PHE A 96 -6.076 9.282 0.315 1.00 0.00 C ATOM 1168 CE1 PHE A 96 -7.066 7.979 -1.904 1.00 0.00 C ATOM 1169 CE2 PHE A 96 -7.240 9.724 -0.280 1.00 0.00 C ATOM 1170 CZ PHE A 96 -7.735 9.072 -1.391 1.00 0.00 C ATOM 0 H PHE A 96 -4.688 7.043 2.957 1.00 0.00 H new ATOM 0 HA PHE A 96 -4.721 5.652 0.352 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -3.847 8.418 1.243 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -3.322 7.739 -0.285 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -5.381 6.688 -1.713 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -5.692 9.796 1.184 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -7.453 7.467 -2.772 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -7.763 10.579 0.123 1.00 0.00 H new ATOM 0 HZ PHE A 96 -8.645 9.417 -1.859 1.00 0.00 H new ATOM 1178 N TYR A 97 -2.240 5.155 0.251 1.00 0.00 N ATOM 1179 CA TYR A 97 -0.892 4.599 0.313 1.00 0.00 C ATOM 1180 C TYR A 97 -0.257 4.611 -1.073 1.00 0.00 C ATOM 1181 O TYR A 97 -0.566 3.763 -1.906 1.00 0.00 O ATOM 1182 CB TYR A 97 -0.930 3.170 0.859 1.00 0.00 C ATOM 1183 CG TYR A 97 -1.114 3.094 2.359 1.00 0.00 C ATOM 1184 CD1 TYR A 97 -0.095 3.475 3.224 1.00 0.00 C ATOM 1185 CD2 TYR A 97 -2.307 2.644 2.910 1.00 0.00 C ATOM 1186 CE1 TYR A 97 -0.259 3.407 4.594 1.00 0.00 C ATOM 1187 CE2 TYR A 97 -2.479 2.574 4.279 1.00 0.00 C ATOM 1188 CZ TYR A 97 -1.453 2.956 5.115 1.00 0.00 C ATOM 1189 OH TYR A 97 -1.621 2.888 6.479 1.00 0.00 O ATOM 0 H TYR A 97 -2.706 5.021 -0.646 1.00 0.00 H new ATOM 0 HA TYR A 97 -0.292 5.214 0.984 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -1.742 2.627 0.375 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -0.003 2.663 0.590 1.00 0.00 H new ATOM 0 HD1 TYR A 97 0.841 3.830 2.818 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -3.113 2.344 2.257 1.00 0.00 H new ATOM 0 HE1 TYR A 97 0.543 3.705 5.253 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -3.413 2.222 4.692 1.00 0.00 H new ATOM 0 HH TYR A 97 -2.461 3.328 6.728 1.00 0.00 H new ATOM 1197 N TYR A 98 0.622 5.579 -1.323 1.00 0.00 N ATOM 1198 CA TYR A 98 1.280 5.689 -2.622 1.00 0.00 C ATOM 1199 C TYR A 98 2.731 5.219 -2.555 1.00 0.00 C ATOM 1200 O TYR A 98 3.195 4.751 -1.513 1.00 0.00 O ATOM 1201 CB TYR A 98 1.221 7.133 -3.130 1.00 0.00 C ATOM 1202 CG TYR A 98 1.927 8.133 -2.244 1.00 0.00 C ATOM 1203 CD1 TYR A 98 1.259 8.758 -1.198 1.00 0.00 C ATOM 1204 CD2 TYR A 98 3.259 8.461 -2.460 1.00 0.00 C ATOM 1205 CE1 TYR A 98 1.901 9.678 -0.390 1.00 0.00 C ATOM 1206 CE2 TYR A 98 3.908 9.379 -1.656 1.00 0.00 C ATOM 1207 CZ TYR A 98 3.225 9.986 -0.624 1.00 0.00 C ATOM 1208 OH TYR A 98 3.866 10.902 0.177 1.00 0.00 O ATOM 0 H TYR A 98 0.894 6.294 -0.648 1.00 0.00 H new ATOM 0 HA TYR A 98 0.746 5.042 -3.318 1.00 0.00 H new ATOM 0 HB2 TYR A 98 1.661 7.174 -4.126 1.00 0.00 H new ATOM 0 HB3 TYR A 98 0.177 7.428 -3.231 1.00 0.00 H new ATOM 0 HD1 TYR A 98 0.222 8.521 -1.013 1.00 0.00 H new ATOM 0 HD2 TYR A 98 3.797 7.991 -3.270 1.00 0.00 H new ATOM 0 HE1 TYR A 98 1.368 10.153 0.420 1.00 0.00 H new ATOM 0 HE2 TYR A 98 4.945 9.620 -1.836 1.00 0.00 H new ATOM 0 HH TYR A 98 4.817 10.934 -0.058 1.00 0.00 H new ATOM 1216 N PHE A 99 3.442 5.349 -3.676 1.00 0.00 N ATOM 1217 CA PHE A 99 4.841 4.936 -3.745 1.00 0.00 C ATOM 1218 C PHE A 99 5.769 6.152 -3.736 1.00 0.00 C ATOM 1219 O PHE A 99 5.422 7.209 -4.263 1.00 0.00 O ATOM 1220 CB PHE A 99 5.090 4.095 -5.003 1.00 0.00 C ATOM 1221 CG PHE A 99 4.700 2.647 -4.858 1.00 0.00 C ATOM 1222 CD1 PHE A 99 5.057 1.924 -3.730 1.00 0.00 C ATOM 1223 CD2 PHE A 99 3.979 2.007 -5.856 1.00 0.00 C ATOM 1224 CE1 PHE A 99 4.701 0.593 -3.600 1.00 0.00 C ATOM 1225 CE2 PHE A 99 3.621 0.678 -5.730 1.00 0.00 C ATOM 1226 CZ PHE A 99 3.983 -0.030 -4.602 1.00 0.00 C ATOM 0 H PHE A 99 3.072 5.736 -4.544 1.00 0.00 H new ATOM 0 HA PHE A 99 5.058 4.329 -2.866 1.00 0.00 H new ATOM 0 HB2 PHE A 99 4.534 4.529 -5.834 1.00 0.00 H new ATOM 0 HB3 PHE A 99 6.147 4.152 -5.262 1.00 0.00 H new ATOM 0 HD1 PHE A 99 5.620 2.405 -2.944 1.00 0.00 H new ATOM 0 HD2 PHE A 99 3.694 2.554 -6.742 1.00 0.00 H new ATOM 0 HE1 PHE A 99 4.984 0.042 -2.716 1.00 0.00 H new ATOM 0 HE2 PHE A 99 3.058 0.194 -6.514 1.00 0.00 H new ATOM 0 HZ PHE A 99 3.705 -1.069 -4.503 1.00 0.00 H new