USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 667 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 27 TYR OH : rot -3:sc= 0.536 USER MOD Set 1.2: A 57 GLN : amide:sc= -0.298 K(o=0.83,f=-0.38) USER MOD Set 1.3: A 81 THR OG1 : rot -130:sc= 0.587 USER MOD Set 2.1: A 5 THR OG1 : rot -103:sc= 0.12 USER MOD Set 2.2: A 10 ASN : amide:sc= -0.403 X(o=-0.28,f=-0.16) USER MOD Single : A 2 SER OG : rot 35:sc= 0.00683 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.841 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 15:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc=-0.00478 USER MOD Single : A 15 GLN : amide:sc= -0.0113 X(o=-0.011,f=0) USER MOD Single : A 21 ASN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.071) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.148 X(o=-0.15,f=0) USER MOD Single : A 29 ASN : amide:sc= -0.192 X(o=-0.19,f=0) USER MOD Single : A 32 THR OG1 : rot -9:sc= 0.604 USER MOD Single : A 35 SER OG : rot -172:sc= 0.853 USER MOD Single : A 36 SER OG : rot 8:sc= 0.362 USER MOD Single : A 37 THR OG1 : rot 69:sc= 1.52 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -1.05 X(o=-1.1,f=-0.59) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0703 USER MOD Single : A 42 TYR OH : rot 38:sc= 0.429 USER MOD Single : A 43 ASN : amide:sc= -0.182 X(o=-0.18,f=-0.32) USER MOD Single : A 44 ASN :FLIP amide:sc= -0.123 F(o=-1.4,f=-0.12) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 112:sc= 0.729 USER MOD Single : A 62 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0107) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 58:sc= 0.166 USER MOD Single : A 71 SER OG : rot 38:sc= 0.392 USER MOD Single : A 80 ASN : amide:sc= -0.211 K(o=-0.21,f=-1.1) USER MOD Single : A 82 ASN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 171:sc= 0.0159 USER MOD Single : A 91 HIS : no HD1:sc= -1.4 K(o=-1.4,f=-4.7!) USER MOD Single : A 92 THR OG1 : rot 140:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 ASN : amide:sc= -1.12 K(o=-1.1,f=-2.9) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 150:sc= 0.104 USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 15 N SER A 2 5.191 11.424 -5.511 1.00 0.00 N ATOM 16 CA SER A 2 6.606 11.742 -5.622 1.00 0.00 C ATOM 17 C SER A 2 6.785 13.202 -5.212 1.00 0.00 C ATOM 18 O SER A 2 6.077 14.066 -5.728 1.00 0.00 O ATOM 19 CB SER A 2 7.083 11.536 -7.066 1.00 0.00 C ATOM 20 OG SER A 2 7.065 10.168 -7.415 1.00 0.00 O ATOM 0 HA SER A 2 7.195 11.090 -4.977 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.444 12.097 -7.747 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.093 11.930 -7.179 1.00 0.00 H new ATOM 0 HG SER A 2 6.305 9.729 -6.979 1.00 0.00 H new ATOM 26 N ALA A 3 7.735 13.458 -4.297 1.00 0.00 N ATOM 27 CA ALA A 3 8.075 14.764 -3.741 1.00 0.00 C ATOM 28 C ALA A 3 8.059 15.876 -4.794 1.00 0.00 C ATOM 29 O ALA A 3 8.638 15.717 -5.868 1.00 0.00 O ATOM 30 CB ALA A 3 9.447 14.673 -3.068 1.00 0.00 C ATOM 0 H ALA A 3 8.314 12.713 -3.909 1.00 0.00 H new ATOM 0 HA ALA A 3 7.314 15.030 -3.008 1.00 0.00 H new ATOM 0 HB1 ALA A 3 9.712 15.644 -2.649 1.00 0.00 H new ATOM 0 HB2 ALA A 3 9.413 13.930 -2.271 1.00 0.00 H new ATOM 0 HB3 ALA A 3 10.195 14.380 -3.805 1.00 0.00 H new ATOM 36 N THR A 4 7.401 16.998 -4.469 1.00 0.00 N ATOM 37 CA THR A 4 7.255 18.148 -5.351 1.00 0.00 C ATOM 38 C THR A 4 8.206 19.273 -4.959 1.00 0.00 C ATOM 39 O THR A 4 7.854 20.147 -4.168 1.00 0.00 O ATOM 40 CB THR A 4 5.794 18.628 -5.379 1.00 0.00 C ATOM 41 OG1 THR A 4 5.205 18.598 -4.103 1.00 0.00 O ATOM 42 CG2 THR A 4 4.955 17.761 -6.305 1.00 0.00 C ATOM 0 H THR A 4 6.948 17.127 -3.564 1.00 0.00 H new ATOM 0 HA THR A 4 7.525 17.837 -6.360 1.00 0.00 H new ATOM 0 HB THR A 4 5.818 19.656 -5.740 1.00 0.00 H new ATOM 0 HG1 THR A 4 4.278 18.912 -4.163 1.00 0.00 H new ATOM 0 HG21 THR A 4 3.926 18.121 -6.307 1.00 0.00 H new ATOM 0 HG22 THR A 4 5.359 17.811 -7.316 1.00 0.00 H new ATOM 0 HG23 THR A 4 4.977 16.729 -5.956 1.00 0.00 H new ATOM 50 N THR A 5 9.420 19.251 -5.518 1.00 0.00 N ATOM 51 CA THR A 5 10.434 20.233 -5.308 1.00 0.00 C ATOM 52 C THR A 5 10.265 21.205 -6.476 1.00 0.00 C ATOM 53 O THR A 5 10.720 20.969 -7.594 1.00 0.00 O ATOM 54 CB THR A 5 11.768 19.482 -5.232 1.00 0.00 C ATOM 55 OG1 THR A 5 11.936 18.944 -3.938 1.00 0.00 O ATOM 56 CG2 THR A 5 12.923 20.397 -5.580 1.00 0.00 C ATOM 0 H THR A 5 9.714 18.508 -6.152 1.00 0.00 H new ATOM 0 HA THR A 5 10.381 20.813 -4.387 1.00 0.00 H new ATOM 0 HB THR A 5 11.755 18.669 -5.958 1.00 0.00 H new ATOM 0 HG1 THR A 5 12.574 19.493 -3.436 1.00 0.00 H new ATOM 0 HG21 THR A 5 13.859 19.841 -5.519 1.00 0.00 H new ATOM 0 HG22 THR A 5 12.793 20.778 -6.593 1.00 0.00 H new ATOM 0 HG23 THR A 5 12.950 21.231 -4.879 1.00 0.00 H new ATOM 64 N CYS A 6 9.571 22.307 -6.191 1.00 0.00 N ATOM 65 CA CYS A 6 9.293 23.386 -7.126 1.00 0.00 C ATOM 66 C CYS A 6 10.520 24.301 -7.173 1.00 0.00 C ATOM 67 O CYS A 6 11.590 23.894 -6.718 1.00 0.00 O ATOM 68 CB CYS A 6 7.980 24.043 -6.679 1.00 0.00 C ATOM 69 SG CYS A 6 6.493 23.400 -7.507 1.00 0.00 S ATOM 0 H CYS A 6 9.174 22.474 -5.266 1.00 0.00 H new ATOM 0 HA CYS A 6 9.137 23.063 -8.155 1.00 0.00 H new ATOM 0 HB2 CYS A 6 7.869 23.907 -5.603 1.00 0.00 H new ATOM 0 HB3 CYS A 6 8.046 25.116 -6.860 1.00 0.00 H new ATOM 74 N GLY A 7 10.371 25.514 -7.731 1.00 0.00 N ATOM 75 CA GLY A 7 11.411 26.536 -7.858 1.00 0.00 C ATOM 76 C GLY A 7 12.420 26.476 -6.714 1.00 0.00 C ATOM 77 O GLY A 7 13.615 26.304 -6.946 1.00 0.00 O ATOM 0 H GLY A 7 9.479 25.818 -8.122 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.932 26.406 -8.807 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.948 27.523 -7.881 1.00 0.00 H new ATOM 81 N SER A 8 11.918 26.609 -5.483 1.00 0.00 N ATOM 82 CA SER A 8 12.709 26.537 -4.265 1.00 0.00 C ATOM 83 C SER A 8 11.794 26.241 -3.072 1.00 0.00 C ATOM 84 O SER A 8 12.000 26.788 -1.988 1.00 0.00 O ATOM 85 CB SER A 8 13.528 27.823 -4.080 1.00 0.00 C ATOM 86 OG SER A 8 12.681 28.951 -4.005 1.00 0.00 O ATOM 0 H SER A 8 10.927 26.773 -5.309 1.00 0.00 H new ATOM 0 HA SER A 8 13.426 25.719 -4.337 1.00 0.00 H new ATOM 0 HB2 SER A 8 14.126 27.751 -3.172 1.00 0.00 H new ATOM 0 HB3 SER A 8 14.223 27.939 -4.911 1.00 0.00 H new ATOM 0 HG SER A 8 13.222 29.759 -3.885 1.00 0.00 H new ATOM 92 N THR A 9 10.783 25.384 -3.280 1.00 0.00 N ATOM 93 CA THR A 9 9.830 24.983 -2.254 1.00 0.00 C ATOM 94 C THR A 9 9.761 23.456 -2.255 1.00 0.00 C ATOM 95 O THR A 9 9.004 22.858 -3.020 1.00 0.00 O ATOM 96 CB THR A 9 8.471 25.657 -2.505 1.00 0.00 C ATOM 97 OG1 THR A 9 8.651 27.029 -2.789 1.00 0.00 O ATOM 98 CG2 THR A 9 7.594 25.537 -1.257 1.00 0.00 C ATOM 0 H THR A 9 10.608 24.947 -4.185 1.00 0.00 H new ATOM 0 HA THR A 9 10.144 25.309 -1.262 1.00 0.00 H new ATOM 0 HB THR A 9 7.994 25.162 -3.351 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.779 27.447 -2.949 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.632 26.016 -1.441 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.436 24.484 -1.023 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.088 26.025 -0.417 1.00 0.00 H new ATOM 106 N ASN A 10 10.566 22.839 -1.380 1.00 0.00 N ATOM 107 CA ASN A 10 10.680 21.398 -1.235 1.00 0.00 C ATOM 108 C ASN A 10 9.529 20.827 -0.412 1.00 0.00 C ATOM 109 O ASN A 10 9.453 21.062 0.793 1.00 0.00 O ATOM 110 CB ASN A 10 12.039 21.070 -0.597 1.00 0.00 C ATOM 111 CG ASN A 10 12.339 19.569 -0.566 1.00 0.00 C ATOM 112 OD1 ASN A 10 13.158 19.085 -1.343 1.00 0.00 O ATOM 113 ND2 ASN A 10 11.689 18.828 0.337 1.00 0.00 N ATOM 0 H ASN A 10 11.170 23.352 -0.738 1.00 0.00 H new ATOM 0 HA ASN A 10 10.621 20.933 -2.219 1.00 0.00 H new ATOM 0 HB2 ASN A 10 12.827 21.581 -1.151 1.00 0.00 H new ATOM 0 HB3 ASN A 10 12.060 21.460 0.421 1.00 0.00 H new ATOM 0 HD21 ASN A 10 11.867 17.825 0.397 1.00 0.00 H new ATOM 0 HD22 ASN A 10 11.016 19.265 0.966 1.00 0.00 H new ATOM 120 N TYR A 11 8.639 20.077 -1.074 1.00 0.00 N ATOM 121 CA TYR A 11 7.502 19.420 -0.451 1.00 0.00 C ATOM 122 C TYR A 11 7.779 17.917 -0.479 1.00 0.00 C ATOM 123 O TYR A 11 8.095 17.365 -1.534 1.00 0.00 O ATOM 124 CB TYR A 11 6.222 19.684 -1.242 1.00 0.00 C ATOM 125 CG TYR A 11 5.716 21.109 -1.356 1.00 0.00 C ATOM 126 CD1 TYR A 11 5.567 21.914 -0.212 1.00 0.00 C ATOM 127 CD2 TYR A 11 5.378 21.629 -2.620 1.00 0.00 C ATOM 128 CE1 TYR A 11 5.081 23.226 -0.339 1.00 0.00 C ATOM 129 CE2 TYR A 11 4.890 22.938 -2.744 1.00 0.00 C ATOM 130 CZ TYR A 11 4.730 23.736 -1.601 1.00 0.00 C ATOM 131 OH TYR A 11 4.244 25.005 -1.711 1.00 0.00 O ATOM 0 H TYR A 11 8.698 19.912 -2.079 1.00 0.00 H new ATOM 0 HA TYR A 11 7.370 19.797 0.563 1.00 0.00 H new ATOM 0 HB2 TYR A 11 6.374 19.306 -2.253 1.00 0.00 H new ATOM 0 HB3 TYR A 11 5.428 19.086 -0.794 1.00 0.00 H new ATOM 0 HD1 TYR A 11 5.826 21.524 0.762 1.00 0.00 H new ATOM 0 HD2 TYR A 11 5.495 21.015 -3.501 1.00 0.00 H new ATOM 0 HE1 TYR A 11 4.976 23.847 0.539 1.00 0.00 H new ATOM 0 HE2 TYR A 11 4.638 23.331 -3.718 1.00 0.00 H new ATOM 0 HH TYR A 11 4.423 25.497 -0.882 1.00 0.00 H new ATOM 141 N SER A 12 7.649 17.263 0.679 1.00 0.00 N ATOM 142 CA SER A 12 7.852 15.832 0.850 1.00 0.00 C ATOM 143 C SER A 12 6.801 15.047 0.092 1.00 0.00 C ATOM 144 O SER A 12 5.734 15.569 -0.223 1.00 0.00 O ATOM 145 CB SER A 12 7.781 15.513 2.344 1.00 0.00 C ATOM 146 OG SER A 12 8.835 16.158 3.026 1.00 0.00 O ATOM 0 H SER A 12 7.392 17.734 1.546 1.00 0.00 H new ATOM 0 HA SER A 12 8.826 15.548 0.452 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.822 15.838 2.748 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.843 14.436 2.498 1.00 0.00 H new ATOM 0 HG SER A 12 8.782 15.950 3.982 1.00 0.00 H new ATOM 152 N ALA A 13 7.116 13.781 -0.213 1.00 0.00 N ATOM 153 CA ALA A 13 6.168 12.899 -0.873 1.00 0.00 C ATOM 154 C ALA A 13 4.957 12.749 0.064 1.00 0.00 C ATOM 155 O ALA A 13 3.885 12.339 -0.376 1.00 0.00 O ATOM 156 CB ALA A 13 6.826 11.547 -1.160 1.00 0.00 C ATOM 0 H ALA A 13 8.020 13.354 -0.010 1.00 0.00 H new ATOM 0 HA ALA A 13 5.845 13.308 -1.831 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.109 10.891 -1.655 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.691 11.693 -1.807 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.147 11.092 -0.223 1.00 0.00 H new ATOM 162 N SER A 14 5.139 13.102 1.352 1.00 0.00 N ATOM 163 CA SER A 14 4.096 13.050 2.365 1.00 0.00 C ATOM 164 C SER A 14 3.171 14.258 2.181 1.00 0.00 C ATOM 165 O SER A 14 1.962 14.132 2.354 1.00 0.00 O ATOM 166 CB SER A 14 4.704 12.976 3.770 1.00 0.00 C ATOM 167 OG SER A 14 5.481 14.117 4.057 1.00 0.00 O ATOM 0 H SER A 14 6.034 13.435 1.711 1.00 0.00 H new ATOM 0 HA SER A 14 3.501 12.145 2.248 1.00 0.00 H new ATOM 0 HB2 SER A 14 3.907 12.882 4.508 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.323 12.083 3.853 1.00 0.00 H new ATOM 0 HG SER A 14 5.853 14.040 4.960 1.00 0.00 H new ATOM 173 N GLN A 15 3.736 15.426 1.832 1.00 0.00 N ATOM 174 CA GLN A 15 2.988 16.653 1.587 1.00 0.00 C ATOM 175 C GLN A 15 2.159 16.513 0.311 1.00 0.00 C ATOM 176 O GLN A 15 1.051 17.040 0.241 1.00 0.00 O ATOM 177 CB GLN A 15 3.938 17.855 1.511 1.00 0.00 C ATOM 178 CG GLN A 15 4.477 18.240 2.893 1.00 0.00 C ATOM 179 CD GLN A 15 3.491 19.126 3.653 1.00 0.00 C ATOM 180 OE1 GLN A 15 3.507 20.346 3.499 1.00 0.00 O ATOM 181 NE2 GLN A 15 2.634 18.518 4.477 1.00 0.00 N ATOM 0 H GLN A 15 4.743 15.537 1.712 1.00 0.00 H new ATOM 0 HA GLN A 15 2.304 16.827 2.418 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.771 17.619 0.848 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.414 18.706 1.075 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.677 17.338 3.471 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.426 18.764 2.781 1.00 0.00 H new ATOM 0 HE21 GLN A 15 2.654 17.503 4.576 1.00 0.00 H new ATOM 0 HE22 GLN A 15 1.959 19.069 5.008 1.00 0.00 H new ATOM 190 N VAL A 16 2.700 15.813 -0.696 1.00 0.00 N ATOM 191 CA VAL A 16 2.011 15.567 -1.961 1.00 0.00 C ATOM 192 C VAL A 16 0.772 14.728 -1.650 1.00 0.00 C ATOM 193 O VAL A 16 -0.320 15.053 -2.107 1.00 0.00 O ATOM 194 CB VAL A 16 2.908 14.845 -2.979 1.00 0.00 C ATOM 195 CG1 VAL A 16 2.156 14.614 -4.290 1.00 0.00 C ATOM 196 CG2 VAL A 16 4.125 15.716 -3.292 1.00 0.00 C ATOM 0 H VAL A 16 3.632 15.402 -0.651 1.00 0.00 H new ATOM 0 HA VAL A 16 1.737 16.519 -2.416 1.00 0.00 H new ATOM 0 HB VAL A 16 3.209 13.890 -2.549 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.808 14.102 -4.998 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.274 14.002 -4.101 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.850 15.573 -4.708 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.762 15.205 -4.014 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.794 16.667 -3.709 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.688 15.898 -2.376 1.00 0.00 H new ATOM 206 N ARG A 17 0.956 13.660 -0.860 1.00 0.00 N ATOM 207 CA ARG A 17 -0.109 12.758 -0.450 1.00 0.00 C ATOM 208 C ARG A 17 -1.139 13.473 0.423 1.00 0.00 C ATOM 209 O ARG A 17 -2.323 13.181 0.307 1.00 0.00 O ATOM 210 CB ARG A 17 0.463 11.556 0.313 1.00 0.00 C ATOM 211 CG ARG A 17 0.986 10.463 -0.626 1.00 0.00 C ATOM 212 CD ARG A 17 1.372 9.233 0.201 1.00 0.00 C ATOM 213 NE ARG A 17 1.685 8.080 -0.658 1.00 0.00 N ATOM 214 CZ ARG A 17 1.217 6.824 -0.511 1.00 0.00 C ATOM 215 NH1 ARG A 17 0.406 6.480 0.501 1.00 0.00 N ATOM 216 NH2 ARG A 17 1.571 5.885 -1.399 1.00 0.00 N ATOM 0 H ARG A 17 1.869 13.402 -0.486 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.605 12.407 -1.355 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.272 11.892 0.961 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -0.309 11.138 0.958 1.00 0.00 H new ATOM 0 HG2 ARG A 17 0.223 10.199 -1.358 1.00 0.00 H new ATOM 0 HG3 ARG A 17 1.849 10.827 -1.183 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.235 9.469 0.824 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.554 8.975 0.874 1.00 0.00 H new ATOM 0 HE ARG A 17 2.317 8.247 -1.441 1.00 0.00 H new ATOM 0 HH11 ARG A 17 0.125 7.178 1.189 1.00 0.00 H new ATOM 0 HH12 ARG A 17 0.070 5.520 0.582 1.00 0.00 H new ATOM 0 HH21 ARG A 17 2.188 6.124 -2.175 1.00 0.00 H new ATOM 0 HH22 ARG A 17 1.224 4.931 -1.299 1.00 0.00 H new ATOM 230 N ALA A 18 -0.709 14.390 1.299 1.00 0.00 N ATOM 231 CA ALA A 18 -1.617 15.110 2.181 1.00 0.00 C ATOM 232 C ALA A 18 -2.523 16.036 1.366 1.00 0.00 C ATOM 233 O ALA A 18 -3.748 15.948 1.453 1.00 0.00 O ATOM 234 CB ALA A 18 -0.813 15.891 3.223 1.00 0.00 C ATOM 0 H ALA A 18 0.272 14.648 1.411 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.255 14.398 2.705 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.496 16.429 3.881 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.211 15.199 3.812 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.159 16.603 2.719 1.00 0.00 H new ATOM 240 N ALA A 19 -1.905 16.910 0.563 1.00 0.00 N ATOM 241 CA ALA A 19 -2.595 17.877 -0.275 1.00 0.00 C ATOM 242 C ALA A 19 -3.490 17.181 -1.298 1.00 0.00 C ATOM 243 O ALA A 19 -4.574 17.678 -1.593 1.00 0.00 O ATOM 244 CB ALA A 19 -1.571 18.769 -0.979 1.00 0.00 C ATOM 0 H ALA A 19 -0.889 16.960 0.481 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.234 18.492 0.359 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.090 19.493 -1.607 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.974 19.296 -0.234 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.918 18.154 -1.598 1.00 0.00 H new ATOM 250 N ALA A 20 -3.040 16.040 -1.839 1.00 0.00 N ATOM 251 CA ALA A 20 -3.792 15.293 -2.832 1.00 0.00 C ATOM 252 C ALA A 20 -4.902 14.445 -2.239 1.00 0.00 C ATOM 253 O ALA A 20 -5.936 14.284 -2.880 1.00 0.00 O ATOM 254 CB ALA A 20 -2.866 14.495 -3.751 1.00 0.00 C ATOM 0 H ALA A 20 -2.144 15.617 -1.594 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.303 16.032 -3.450 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.462 13.948 -4.482 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.192 15.177 -4.270 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.283 13.790 -3.158 1.00 0.00 H new ATOM 260 N ASN A 21 -4.709 13.890 -1.041 1.00 0.00 N ATOM 261 CA ASN A 21 -5.761 13.117 -0.400 1.00 0.00 C ATOM 262 C ASN A 21 -6.850 14.111 0.032 1.00 0.00 C ATOM 263 O ASN A 21 -8.008 13.727 0.204 1.00 0.00 O ATOM 264 CB ASN A 21 -5.201 12.335 0.794 1.00 0.00 C ATOM 265 CG ASN A 21 -6.245 11.430 1.451 1.00 0.00 C ATOM 266 OD1 ASN A 21 -7.176 10.963 0.798 1.00 0.00 O ATOM 267 ND2 ASN A 21 -6.084 11.173 2.751 1.00 0.00 N ATOM 0 H ASN A 21 -3.844 13.963 -0.505 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.180 12.379 -1.084 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.358 11.729 0.462 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.817 13.037 1.535 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -6.747 10.570 3.238 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.298 11.580 3.258 1.00 0.00 H new ATOM 274 N ALA A 22 -6.481 15.397 0.185 1.00 0.00 N ATOM 275 CA ALA A 22 -7.411 16.430 0.610 1.00 0.00 C ATOM 276 C ALA A 22 -8.223 16.766 -0.628 1.00 0.00 C ATOM 277 O ALA A 22 -9.451 16.775 -0.573 1.00 0.00 O ATOM 278 CB ALA A 22 -6.667 17.637 1.165 1.00 0.00 C ATOM 0 H ALA A 22 -5.534 15.735 0.016 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.059 16.099 1.421 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.385 18.396 1.476 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.067 17.332 2.022 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.015 18.049 0.394 1.00 0.00 H new ATOM 284 N ALA A 23 -7.508 17.053 -1.730 1.00 0.00 N ATOM 285 CA ALA A 23 -8.093 17.327 -3.032 1.00 0.00 C ATOM 286 C ALA A 23 -9.134 16.243 -3.307 1.00 0.00 C ATOM 287 O ALA A 23 -10.319 16.547 -3.337 1.00 0.00 O ATOM 288 CB ALA A 23 -7.009 17.332 -4.118 1.00 0.00 C ATOM 0 H ALA A 23 -6.489 17.099 -1.729 1.00 0.00 H new ATOM 0 HA ALA A 23 -8.563 18.310 -3.041 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.465 17.539 -5.086 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.271 18.102 -3.892 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -6.519 16.359 -4.148 1.00 0.00 H new ATOM 294 N CYS A 24 -8.674 14.994 -3.483 1.00 0.00 N ATOM 295 CA CYS A 24 -9.446 13.782 -3.735 1.00 0.00 C ATOM 296 C CYS A 24 -10.740 13.735 -2.925 1.00 0.00 C ATOM 297 O CYS A 24 -11.796 13.428 -3.480 1.00 0.00 O ATOM 298 CB CYS A 24 -8.564 12.577 -3.379 1.00 0.00 C ATOM 299 SG CYS A 24 -9.366 10.955 -3.201 1.00 0.00 S ATOM 0 H CYS A 24 -7.674 14.798 -3.449 1.00 0.00 H new ATOM 0 HA CYS A 24 -9.734 13.765 -4.786 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -7.796 12.487 -4.147 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -8.054 12.802 -2.442 1.00 0.00 H new ATOM 304 N GLN A 25 -10.665 14.047 -1.623 1.00 0.00 N ATOM 305 CA GLN A 25 -11.825 14.016 -0.754 1.00 0.00 C ATOM 306 C GLN A 25 -12.831 15.077 -1.191 1.00 0.00 C ATOM 307 O GLN A 25 -13.965 14.754 -1.519 1.00 0.00 O ATOM 308 CB GLN A 25 -11.384 14.209 0.703 1.00 0.00 C ATOM 309 CG GLN A 25 -12.576 14.122 1.663 1.00 0.00 C ATOM 310 CD GLN A 25 -12.134 14.263 3.118 1.00 0.00 C ATOM 311 OE1 GLN A 25 -11.391 15.182 3.458 1.00 0.00 O ATOM 312 NE2 GLN A 25 -12.589 13.350 3.980 1.00 0.00 N ATOM 0 H GLN A 25 -9.801 14.324 -1.157 1.00 0.00 H new ATOM 0 HA GLN A 25 -12.318 13.047 -0.827 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.647 13.450 0.965 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -10.897 15.178 0.812 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -13.296 14.904 1.423 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -13.085 13.168 1.527 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -13.204 12.604 3.655 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -12.322 13.399 4.963 1.00 0.00 H new ATOM 321 N TYR A 26 -12.409 16.342 -1.214 1.00 0.00 N ATOM 322 CA TYR A 26 -13.277 17.462 -1.573 1.00 0.00 C ATOM 323 C TYR A 26 -13.641 17.534 -3.059 1.00 0.00 C ATOM 324 O TYR A 26 -14.486 18.342 -3.443 1.00 0.00 O ATOM 325 CB TYR A 26 -12.642 18.777 -1.115 1.00 0.00 C ATOM 326 CG TYR A 26 -12.150 18.779 0.322 1.00 0.00 C ATOM 327 CD1 TYR A 26 -12.962 18.277 1.357 1.00 0.00 C ATOM 328 CD2 TYR A 26 -10.877 19.295 0.626 1.00 0.00 C ATOM 329 CE1 TYR A 26 -12.504 18.291 2.685 1.00 0.00 C ATOM 330 CE2 TYR A 26 -10.418 19.310 1.954 1.00 0.00 C ATOM 331 CZ TYR A 26 -11.233 18.809 2.985 1.00 0.00 C ATOM 332 OH TYR A 26 -10.791 18.820 4.275 1.00 0.00 O ATOM 0 H TYR A 26 -11.454 16.618 -0.984 1.00 0.00 H new ATOM 0 HA TYR A 26 -14.220 17.291 -1.053 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -11.803 19.008 -1.772 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -13.371 19.578 -1.236 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -13.940 17.880 1.129 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -10.250 19.681 -0.164 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -13.129 17.903 3.476 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -9.440 19.706 2.183 1.00 0.00 H new ATOM 0 HH TYR A 26 -9.893 19.210 4.310 1.00 0.00 H new ATOM 342 N TYR A 27 -13.010 16.705 -3.892 1.00 0.00 N ATOM 343 CA TYR A 27 -13.217 16.652 -5.329 1.00 0.00 C ATOM 344 C TYR A 27 -14.488 15.871 -5.682 1.00 0.00 C ATOM 345 O TYR A 27 -15.281 16.372 -6.477 1.00 0.00 O ATOM 346 CB TYR A 27 -11.901 16.168 -5.953 1.00 0.00 C ATOM 347 CG TYR A 27 -11.637 16.290 -7.440 1.00 0.00 C ATOM 348 CD1 TYR A 27 -12.382 15.518 -8.345 1.00 0.00 C ATOM 349 CD2 TYR A 27 -10.632 17.161 -7.925 1.00 0.00 C ATOM 350 CE1 TYR A 27 -12.135 15.602 -9.720 1.00 0.00 C ATOM 351 CE2 TYR A 27 -10.374 17.222 -9.302 1.00 0.00 C ATOM 352 CZ TYR A 27 -11.116 16.441 -10.201 1.00 0.00 C ATOM 353 OH TYR A 27 -10.853 16.503 -11.537 1.00 0.00 O ATOM 0 H TYR A 27 -12.317 16.030 -3.567 1.00 0.00 H new ATOM 0 HA TYR A 27 -13.429 17.628 -5.765 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -11.096 16.698 -5.444 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -11.799 15.113 -5.699 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -13.151 14.855 -7.978 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -10.067 17.775 -7.239 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -12.728 15.022 -10.411 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -9.598 17.875 -9.673 1.00 0.00 H new ATOM 0 HH TYR A 27 -11.428 15.868 -12.013 1.00 0.00 H new ATOM 363 N GLN A 28 -14.700 14.675 -5.107 1.00 0.00 N ATOM 364 CA GLN A 28 -15.882 13.841 -5.350 1.00 0.00 C ATOM 365 C GLN A 28 -16.510 13.226 -4.096 1.00 0.00 C ATOM 366 O GLN A 28 -17.710 12.959 -4.105 1.00 0.00 O ATOM 367 CB GLN A 28 -15.500 12.686 -6.288 1.00 0.00 C ATOM 368 CG GLN A 28 -15.376 13.144 -7.742 1.00 0.00 C ATOM 369 CD GLN A 28 -16.627 12.832 -8.564 1.00 0.00 C ATOM 370 OE1 GLN A 28 -16.556 12.090 -9.542 1.00 0.00 O ATOM 371 NE2 GLN A 28 -17.776 13.391 -8.174 1.00 0.00 N ATOM 0 H GLN A 28 -14.042 14.257 -4.450 1.00 0.00 H new ATOM 0 HA GLN A 28 -16.624 14.514 -5.780 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -14.554 12.253 -5.963 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -16.251 11.899 -6.219 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -15.188 14.217 -7.766 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -14.514 12.659 -8.200 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -17.795 14.001 -7.357 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -18.635 13.207 -8.693 1.00 0.00 H new ATOM 380 N ASN A 29 -15.745 13.000 -3.020 1.00 0.00 N ATOM 381 CA ASN A 29 -16.270 12.374 -1.813 1.00 0.00 C ATOM 382 C ASN A 29 -17.185 13.303 -1.011 1.00 0.00 C ATOM 383 O ASN A 29 -18.334 12.953 -0.750 1.00 0.00 O ATOM 384 CB ASN A 29 -15.113 11.822 -0.966 1.00 0.00 C ATOM 385 CG ASN A 29 -15.568 10.672 -0.069 1.00 0.00 C ATOM 386 OD1 ASN A 29 -15.351 9.509 -0.398 1.00 0.00 O ATOM 387 ND2 ASN A 29 -16.199 10.990 1.064 1.00 0.00 N ATOM 0 H ASN A 29 -14.756 13.245 -2.967 1.00 0.00 H new ATOM 0 HA ASN A 29 -16.904 11.541 -2.117 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -14.314 11.477 -1.622 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -14.699 12.621 -0.351 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -16.520 10.254 1.693 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -16.360 11.969 1.301 1.00 0.00 H new ATOM 394 N ASP A 30 -16.669 14.476 -0.629 1.00 0.00 N ATOM 395 CA ASP A 30 -17.362 15.489 0.155 1.00 0.00 C ATOM 396 C ASP A 30 -17.252 16.831 -0.568 1.00 0.00 C ATOM 397 O ASP A 30 -16.521 17.720 -0.135 1.00 0.00 O ATOM 398 CB ASP A 30 -16.743 15.532 1.561 1.00 0.00 C ATOM 399 CG ASP A 30 -16.825 14.173 2.252 1.00 0.00 C ATOM 400 OD1 ASP A 30 -17.966 13.745 2.529 1.00 0.00 O ATOM 401 OD2 ASP A 30 -15.748 13.582 2.480 1.00 0.00 O ATOM 0 H ASP A 30 -15.717 14.751 -0.871 1.00 0.00 H new ATOM 0 HA ASP A 30 -18.421 15.254 0.263 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -15.701 15.843 1.491 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -17.259 16.279 2.164 1.00 0.00 H new ATOM 406 N ASP A 31 -17.999 16.967 -1.671 1.00 0.00 N ATOM 407 CA ASP A 31 -18.020 18.153 -2.518 1.00 0.00 C ATOM 408 C ASP A 31 -18.348 19.435 -1.747 1.00 0.00 C ATOM 409 O ASP A 31 -19.019 19.404 -0.717 1.00 0.00 O ATOM 410 CB ASP A 31 -19.010 17.954 -3.672 1.00 0.00 C ATOM 411 CG ASP A 31 -18.546 16.864 -4.636 1.00 0.00 C ATOM 412 OD1 ASP A 31 -18.834 15.683 -4.346 1.00 0.00 O ATOM 413 OD2 ASP A 31 -17.914 17.236 -5.649 1.00 0.00 O ATOM 0 H ASP A 31 -18.621 16.230 -2.003 1.00 0.00 H new ATOM 0 HA ASP A 31 -17.012 18.280 -2.914 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -19.989 17.691 -3.270 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -19.129 18.892 -4.214 1.00 0.00 H new ATOM 418 N THR A 32 -17.857 20.559 -2.286 1.00 0.00 N ATOM 419 CA THR A 32 -18.004 21.916 -1.777 1.00 0.00 C ATOM 420 C THR A 32 -17.501 22.058 -0.340 1.00 0.00 C ATOM 421 O THR A 32 -18.284 22.229 0.594 1.00 0.00 O ATOM 422 CB THR A 32 -19.424 22.478 -1.993 1.00 0.00 C ATOM 423 OG1 THR A 32 -20.402 21.773 -1.257 1.00 0.00 O ATOM 424 CG2 THR A 32 -19.814 22.480 -3.474 1.00 0.00 C ATOM 0 H THR A 32 -17.311 20.535 -3.147 1.00 0.00 H new ATOM 0 HA THR A 32 -17.350 22.548 -2.377 1.00 0.00 H new ATOM 0 HB THR A 32 -19.393 23.505 -1.629 1.00 0.00 H new ATOM 0 HG1 THR A 32 -19.999 20.973 -0.860 1.00 0.00 H new ATOM 0 HG21 THR A 32 -20.821 22.883 -3.585 1.00 0.00 H new ATOM 0 HG22 THR A 32 -19.112 23.098 -4.034 1.00 0.00 H new ATOM 0 HG23 THR A 32 -19.787 21.461 -3.859 1.00 0.00 H new ATOM 432 N ALA A 33 -16.175 21.987 -0.179 1.00 0.00 N ATOM 433 CA ALA A 33 -15.498 22.126 1.097 1.00 0.00 C ATOM 434 C ALA A 33 -14.053 22.529 0.825 1.00 0.00 C ATOM 435 O ALA A 33 -13.174 21.685 0.664 1.00 0.00 O ATOM 436 CB ALA A 33 -15.585 20.840 1.910 1.00 0.00 C ATOM 0 H ALA A 33 -15.535 21.827 -0.957 1.00 0.00 H new ATOM 0 HA ALA A 33 -15.982 22.897 1.696 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -15.069 20.975 2.861 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -16.631 20.597 2.096 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -15.117 20.027 1.355 1.00 0.00 H new ATOM 442 N GLY A 34 -13.833 23.843 0.790 1.00 0.00 N ATOM 443 CA GLY A 34 -12.548 24.464 0.526 1.00 0.00 C ATOM 444 C GLY A 34 -12.775 25.870 -0.022 1.00 0.00 C ATOM 445 O GLY A 34 -12.631 26.845 0.715 1.00 0.00 O ATOM 0 H GLY A 34 -14.576 24.523 0.951 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.957 24.508 1.441 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.983 23.868 -0.190 1.00 0.00 H new ATOM 449 N SER A 35 -13.124 25.968 -1.314 1.00 0.00 N ATOM 450 CA SER A 35 -13.396 27.226 -1.994 1.00 0.00 C ATOM 451 C SER A 35 -14.503 26.996 -3.026 1.00 0.00 C ATOM 452 O SER A 35 -15.623 26.653 -2.648 1.00 0.00 O ATOM 453 CB SER A 35 -12.100 27.790 -2.596 1.00 0.00 C ATOM 454 OG SER A 35 -11.159 28.041 -1.578 1.00 0.00 O ATOM 0 H SER A 35 -13.225 25.154 -1.920 1.00 0.00 H new ATOM 0 HA SER A 35 -13.755 27.982 -1.295 1.00 0.00 H new ATOM 0 HB2 SER A 35 -11.688 27.083 -3.316 1.00 0.00 H new ATOM 0 HB3 SER A 35 -12.313 28.711 -3.139 1.00 0.00 H new ATOM 0 HG SER A 35 -10.392 28.522 -1.953 1.00 0.00 H new ATOM 460 N SER A 36 -14.194 27.173 -4.317 1.00 0.00 N ATOM 461 CA SER A 36 -15.113 27.023 -5.437 1.00 0.00 C ATOM 462 C SER A 36 -14.315 26.771 -6.717 1.00 0.00 C ATOM 463 O SER A 36 -14.600 25.819 -7.441 1.00 0.00 O ATOM 464 CB SER A 36 -15.973 28.283 -5.605 1.00 0.00 C ATOM 465 OG SER A 36 -16.866 28.441 -4.525 1.00 0.00 O ATOM 0 H SER A 36 -13.255 27.436 -4.615 1.00 0.00 H new ATOM 0 HA SER A 36 -15.772 26.178 -5.239 1.00 0.00 H new ATOM 0 HB2 SER A 36 -15.328 29.159 -5.678 1.00 0.00 H new ATOM 0 HB3 SER A 36 -16.534 28.222 -6.538 1.00 0.00 H new ATOM 0 HG SER A 36 -16.664 27.777 -3.833 1.00 0.00 H new ATOM 471 N THR A 37 -13.311 27.618 -6.984 1.00 0.00 N ATOM 472 CA THR A 37 -12.456 27.534 -8.164 1.00 0.00 C ATOM 473 C THR A 37 -11.352 26.471 -8.028 1.00 0.00 C ATOM 474 O THR A 37 -10.487 26.368 -8.893 1.00 0.00 O ATOM 475 CB THR A 37 -11.871 28.921 -8.472 1.00 0.00 C ATOM 476 OG1 THR A 37 -11.205 29.431 -7.338 1.00 0.00 O ATOM 477 CG2 THR A 37 -12.965 29.911 -8.885 1.00 0.00 C ATOM 0 H THR A 37 -13.070 28.395 -6.369 1.00 0.00 H new ATOM 0 HA THR A 37 -13.073 27.210 -9.002 1.00 0.00 H new ATOM 0 HB THR A 37 -11.171 28.803 -9.299 1.00 0.00 H new ATOM 0 HG1 THR A 37 -10.393 28.908 -7.173 1.00 0.00 H new ATOM 0 HG21 THR A 37 -12.516 30.882 -9.096 1.00 0.00 H new ATOM 0 HG22 THR A 37 -13.470 29.543 -9.778 1.00 0.00 H new ATOM 0 HG23 THR A 37 -13.688 30.013 -8.075 1.00 0.00 H new ATOM 485 N TYR A 38 -11.373 25.682 -6.950 1.00 0.00 N ATOM 486 CA TYR A 38 -10.428 24.625 -6.624 1.00 0.00 C ATOM 487 C TYR A 38 -11.253 23.647 -5.786 1.00 0.00 C ATOM 488 O TYR A 38 -11.385 23.852 -4.580 1.00 0.00 O ATOM 489 CB TYR A 38 -9.279 25.221 -5.795 1.00 0.00 C ATOM 490 CG TYR A 38 -8.461 26.294 -6.496 1.00 0.00 C ATOM 491 CD1 TYR A 38 -7.340 25.953 -7.277 1.00 0.00 C ATOM 492 CD2 TYR A 38 -8.820 27.647 -6.357 1.00 0.00 C ATOM 493 CE1 TYR A 38 -6.590 26.956 -7.914 1.00 0.00 C ATOM 494 CE2 TYR A 38 -8.082 28.650 -7.010 1.00 0.00 C ATOM 495 CZ TYR A 38 -6.965 28.304 -7.790 1.00 0.00 C ATOM 496 OH TYR A 38 -6.241 29.275 -8.417 1.00 0.00 O ATOM 0 H TYR A 38 -12.099 25.775 -6.240 1.00 0.00 H new ATOM 0 HA TYR A 38 -9.982 24.146 -7.496 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -9.694 25.644 -4.880 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -8.610 24.413 -5.498 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -7.056 24.917 -7.387 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -9.668 27.917 -5.745 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -5.723 26.690 -8.500 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -8.373 29.685 -6.912 1.00 0.00 H new ATOM 0 HH TYR A 38 -6.637 30.151 -8.228 1.00 0.00 H new ATOM 506 N PRO A 39 -11.829 22.589 -6.379 1.00 0.00 N ATOM 507 CA PRO A 39 -11.744 22.173 -7.771 1.00 0.00 C ATOM 508 C PRO A 39 -12.717 22.848 -8.740 1.00 0.00 C ATOM 509 O PRO A 39 -13.866 23.129 -8.407 1.00 0.00 O ATOM 510 CB PRO A 39 -12.041 20.676 -7.723 1.00 0.00 C ATOM 511 CG PRO A 39 -13.099 20.600 -6.627 1.00 0.00 C ATOM 512 CD PRO A 39 -12.638 21.651 -5.623 1.00 0.00 C ATOM 0 HA PRO A 39 -10.765 22.452 -8.162 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -12.414 20.303 -8.677 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -11.155 20.091 -7.476 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -14.094 20.821 -7.012 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -13.144 19.607 -6.179 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -13.489 22.152 -5.162 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -12.061 21.197 -4.818 1.00 0.00 H new ATOM 520 N HIS A 40 -12.203 23.102 -9.951 1.00 0.00 N ATOM 521 CA HIS A 40 -12.884 23.666 -11.106 1.00 0.00 C ATOM 522 C HIS A 40 -12.034 23.348 -12.338 1.00 0.00 C ATOM 523 O HIS A 40 -10.837 23.070 -12.209 1.00 0.00 O ATOM 524 CB HIS A 40 -13.310 25.135 -10.946 1.00 0.00 C ATOM 525 CG HIS A 40 -12.399 26.219 -11.474 1.00 0.00 C ATOM 526 ND1 HIS A 40 -12.874 27.502 -11.705 1.00 0.00 N ATOM 527 CD2 HIS A 40 -11.069 26.271 -11.818 1.00 0.00 C ATOM 528 CE1 HIS A 40 -11.846 28.240 -12.158 1.00 0.00 C ATOM 529 NE2 HIS A 40 -10.716 27.542 -12.260 1.00 0.00 N ATOM 0 H HIS A 40 -11.224 22.900 -10.156 1.00 0.00 H new ATOM 0 HA HIS A 40 -13.860 23.196 -11.227 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -14.279 25.252 -11.432 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -13.462 25.321 -9.883 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -10.388 25.435 -11.754 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -11.927 29.287 -12.412 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -9.805 27.864 -12.586 1.00 0.00 H new ATOM 537 N THR A 41 -12.666 23.381 -13.518 1.00 0.00 N ATOM 538 CA THR A 41 -12.099 23.094 -14.819 1.00 0.00 C ATOM 539 C THR A 41 -10.710 23.696 -15.026 1.00 0.00 C ATOM 540 O THR A 41 -10.542 24.911 -14.947 1.00 0.00 O ATOM 541 CB THR A 41 -13.091 23.590 -15.883 1.00 0.00 C ATOM 542 OG1 THR A 41 -14.424 23.271 -15.535 1.00 0.00 O ATOM 543 CG2 THR A 41 -12.789 22.905 -17.207 1.00 0.00 C ATOM 0 H THR A 41 -13.654 23.627 -13.581 1.00 0.00 H new ATOM 0 HA THR A 41 -11.948 22.018 -14.902 1.00 0.00 H new ATOM 0 HB THR A 41 -12.984 24.672 -15.957 1.00 0.00 H new ATOM 0 HG1 THR A 41 -15.031 23.601 -16.230 1.00 0.00 H new ATOM 0 HG21 THR A 41 -13.490 23.254 -17.965 1.00 0.00 H new ATOM 0 HG22 THR A 41 -11.772 23.144 -17.516 1.00 0.00 H new ATOM 0 HG23 THR A 41 -12.889 21.826 -17.089 1.00 0.00 H new ATOM 551 N TYR A 42 -9.721 22.827 -15.280 1.00 0.00 N ATOM 552 CA TYR A 42 -8.341 23.214 -15.533 1.00 0.00 C ATOM 553 C TYR A 42 -7.812 22.361 -16.683 1.00 0.00 C ATOM 554 O TYR A 42 -7.211 21.308 -16.468 1.00 0.00 O ATOM 555 CB TYR A 42 -7.492 23.083 -14.265 1.00 0.00 C ATOM 556 CG TYR A 42 -6.123 23.722 -14.411 1.00 0.00 C ATOM 557 CD1 TYR A 42 -5.972 25.105 -14.199 1.00 0.00 C ATOM 558 CD2 TYR A 42 -5.005 22.947 -14.772 1.00 0.00 C ATOM 559 CE1 TYR A 42 -4.711 25.709 -14.345 1.00 0.00 C ATOM 560 CE2 TYR A 42 -3.744 23.550 -14.918 1.00 0.00 C ATOM 561 CZ TYR A 42 -3.596 24.931 -14.706 1.00 0.00 C ATOM 562 OH TYR A 42 -2.375 25.519 -14.861 1.00 0.00 O ATOM 0 H TYR A 42 -9.869 21.818 -15.314 1.00 0.00 H new ATOM 0 HA TYR A 42 -8.286 24.264 -15.820 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -8.018 23.546 -13.430 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -7.372 22.028 -14.020 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -6.827 25.704 -13.923 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -5.117 21.886 -14.937 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -4.598 26.770 -14.180 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -2.888 22.951 -15.193 1.00 0.00 H new ATOM 0 HH TYR A 42 -2.259 26.216 -14.182 1.00 0.00 H new ATOM 572 N ASN A 43 -8.053 22.830 -17.910 1.00 0.00 N ATOM 573 CA ASN A 43 -7.651 22.169 -19.143 1.00 0.00 C ATOM 574 C ASN A 43 -7.824 23.143 -20.311 1.00 0.00 C ATOM 575 O ASN A 43 -6.901 23.324 -21.103 1.00 0.00 O ATOM 576 CB ASN A 43 -8.425 20.852 -19.340 1.00 0.00 C ATOM 577 CG ASN A 43 -9.924 20.965 -19.049 1.00 0.00 C ATOM 578 OD1 ASN A 43 -10.360 20.694 -17.932 1.00 0.00 O ATOM 579 ND2 ASN A 43 -10.715 21.356 -20.053 1.00 0.00 N ATOM 0 H ASN A 43 -8.548 23.707 -18.072 1.00 0.00 H new ATOM 0 HA ASN A 43 -6.598 21.891 -19.091 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -8.289 20.512 -20.366 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -7.995 20.089 -18.691 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.721 21.439 -19.907 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -10.313 21.572 -20.965 1.00 0.00 H new ATOM 586 N ASN A 44 -9.002 23.774 -20.403 1.00 0.00 N ATOM 587 CA ASN A 44 -9.354 24.747 -21.427 1.00 0.00 C ATOM 588 C ASN A 44 -8.911 26.149 -20.997 1.00 0.00 C ATOM 589 O ASN A 44 -9.732 27.057 -20.875 1.00 0.00 O ATOM 590 CB ASN A 44 -10.857 24.646 -21.759 1.00 0.00 C ATOM 591 CG ASN A 44 -11.840 24.712 -20.578 1.00 0.00 C ATOM 592 OD1 ASN A 44 -11.434 25.240 -19.418 1.00 0.00 O flip ATOM 593 ND2 ASN A 44 -12.982 24.282 -20.721 1.00 0.00 N flip ATOM 0 H ASN A 44 -9.758 23.610 -19.739 1.00 0.00 H new ATOM 0 HA ASN A 44 -8.821 24.529 -22.352 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -11.105 25.450 -22.452 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -11.025 23.707 -22.287 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -13.269 23.884 -21.615 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -13.643 24.323 -19.946 1.00 0.00 H new ATOM 600 N TYR A 45 -7.601 26.318 -20.771 1.00 0.00 N ATOM 601 CA TYR A 45 -7.008 27.578 -20.340 1.00 0.00 C ATOM 602 C TYR A 45 -5.611 27.792 -20.935 1.00 0.00 C ATOM 603 O TYR A 45 -4.880 28.662 -20.464 1.00 0.00 O ATOM 604 CB TYR A 45 -7.001 27.630 -18.799 1.00 0.00 C ATOM 605 CG TYR A 45 -7.733 28.829 -18.230 1.00 0.00 C ATOM 606 CD1 TYR A 45 -7.136 30.102 -18.269 1.00 0.00 C ATOM 607 CD2 TYR A 45 -9.018 28.677 -17.673 1.00 0.00 C ATOM 608 CE1 TYR A 45 -7.816 31.217 -17.752 1.00 0.00 C ATOM 609 CE2 TYR A 45 -9.697 29.791 -17.153 1.00 0.00 C ATOM 610 CZ TYR A 45 -9.102 31.064 -17.201 1.00 0.00 C ATOM 611 OH TYR A 45 -9.767 32.148 -16.705 1.00 0.00 O ATOM 0 H TYR A 45 -6.919 25.568 -20.886 1.00 0.00 H new ATOM 0 HA TYR A 45 -7.614 28.402 -20.716 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -7.456 26.719 -18.411 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -5.969 27.645 -18.449 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.152 30.222 -18.698 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -9.482 27.702 -17.646 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -7.352 32.192 -17.777 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -10.677 29.670 -16.716 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.642 31.867 -16.364 1.00 0.00 H new ATOM 621 N GLU A 46 -5.244 27.015 -21.968 1.00 0.00 N ATOM 622 CA GLU A 46 -3.958 27.076 -22.650 1.00 0.00 C ATOM 623 C GLU A 46 -2.800 26.868 -21.671 1.00 0.00 C ATOM 624 O GLU A 46 -2.199 27.828 -21.192 1.00 0.00 O ATOM 625 CB GLU A 46 -3.843 28.381 -23.452 1.00 0.00 C ATOM 626 CG GLU A 46 -2.627 28.363 -24.385 1.00 0.00 C ATOM 627 CD GLU A 46 -2.516 29.674 -25.157 1.00 0.00 C ATOM 628 OE1 GLU A 46 -3.246 29.806 -26.164 1.00 0.00 O ATOM 629 OE2 GLU A 46 -1.709 30.525 -24.724 1.00 0.00 O ATOM 0 H GLU A 46 -5.863 26.305 -22.358 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.895 26.256 -23.365 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.750 28.530 -24.038 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -3.764 29.225 -22.766 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.719 28.200 -23.804 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.711 27.531 -25.084 1.00 0.00 H new ATOM 636 N GLY A 47 -2.486 25.600 -21.386 1.00 0.00 N ATOM 637 CA GLY A 47 -1.405 25.222 -20.490 1.00 0.00 C ATOM 638 C GLY A 47 -1.001 23.769 -20.722 1.00 0.00 C ATOM 639 O GLY A 47 -1.707 23.023 -21.402 1.00 0.00 O ATOM 0 H GLY A 47 -2.986 24.803 -21.779 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.547 25.874 -20.651 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -1.719 25.357 -19.455 1.00 0.00 H new ATOM 643 N PHE A 48 0.148 23.381 -20.157 1.00 0.00 N ATOM 644 CA PHE A 48 0.694 22.036 -20.257 1.00 0.00 C ATOM 645 C PHE A 48 -0.197 20.979 -19.601 1.00 0.00 C ATOM 646 O PHE A 48 -0.185 20.806 -18.383 1.00 0.00 O ATOM 647 CB PHE A 48 2.147 21.969 -19.755 1.00 0.00 C ATOM 648 CG PHE A 48 2.583 22.790 -18.547 1.00 0.00 C ATOM 649 CD1 PHE A 48 1.692 23.236 -17.543 1.00 0.00 C ATOM 650 CD2 PHE A 48 3.952 23.107 -18.442 1.00 0.00 C ATOM 651 CE1 PHE A 48 2.177 24.008 -16.472 1.00 0.00 C ATOM 652 CE2 PHE A 48 4.434 23.861 -17.362 1.00 0.00 C ATOM 653 CZ PHE A 48 3.544 24.316 -16.379 1.00 0.00 C ATOM 0 H PHE A 48 0.731 24.012 -19.607 1.00 0.00 H new ATOM 0 HA PHE A 48 0.711 21.791 -21.319 1.00 0.00 H new ATOM 0 HB2 PHE A 48 2.363 20.925 -19.530 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.789 22.255 -20.588 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.643 22.985 -17.599 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.638 22.765 -19.202 1.00 0.00 H new ATOM 0 HE1 PHE A 48 1.494 24.366 -15.716 1.00 0.00 H new ATOM 0 HE2 PHE A 48 5.487 24.090 -17.288 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.910 24.904 -15.550 1.00 0.00 H new ATOM 663 N ASP A 49 -0.965 20.263 -20.432 1.00 0.00 N ATOM 664 CA ASP A 49 -1.858 19.204 -19.989 1.00 0.00 C ATOM 665 C ASP A 49 -1.048 17.965 -19.602 1.00 0.00 C ATOM 666 O ASP A 49 0.127 17.842 -19.945 1.00 0.00 O ATOM 667 CB ASP A 49 -2.876 18.877 -21.089 1.00 0.00 C ATOM 668 CG ASP A 49 -2.210 18.281 -22.329 1.00 0.00 C ATOM 669 OD1 ASP A 49 -1.713 19.083 -23.151 1.00 0.00 O ATOM 670 OD2 ASP A 49 -2.202 17.034 -22.428 1.00 0.00 O ATOM 0 H ASP A 49 -0.978 20.411 -21.441 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.407 19.541 -19.110 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.615 18.175 -20.702 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -3.413 19.784 -21.367 1.00 0.00 H new ATOM 675 N PHE A 50 -1.707 17.047 -18.891 1.00 0.00 N ATOM 676 CA PHE A 50 -1.133 15.800 -18.401 1.00 0.00 C ATOM 677 C PHE A 50 -1.706 14.680 -19.281 1.00 0.00 C ATOM 678 O PHE A 50 -2.814 14.837 -19.791 1.00 0.00 O ATOM 679 CB PHE A 50 -1.398 15.731 -16.885 1.00 0.00 C ATOM 680 CG PHE A 50 -1.063 17.075 -16.253 1.00 0.00 C ATOM 681 CD1 PHE A 50 0.281 17.487 -16.161 1.00 0.00 C ATOM 682 CD2 PHE A 50 -2.085 17.920 -15.781 1.00 0.00 C ATOM 683 CE1 PHE A 50 0.602 18.738 -15.604 1.00 0.00 C ATOM 684 CE2 PHE A 50 -1.763 19.169 -15.223 1.00 0.00 C ATOM 685 CZ PHE A 50 -0.423 19.583 -15.144 1.00 0.00 C ATOM 0 H PHE A 50 -2.688 17.159 -18.634 1.00 0.00 H new ATOM 0 HA PHE A 50 -0.050 15.706 -18.487 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.442 15.478 -16.698 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.794 14.944 -16.434 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.068 16.840 -16.519 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -3.117 17.608 -15.848 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.634 19.049 -15.530 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.548 19.812 -14.854 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.180 20.550 -14.730 1.00 0.00 H new ATOM 695 N PRO A 51 -0.981 13.563 -19.484 1.00 0.00 N ATOM 696 CA PRO A 51 -1.392 12.453 -20.342 1.00 0.00 C ATOM 697 C PRO A 51 -2.730 11.818 -19.948 1.00 0.00 C ATOM 698 O PRO A 51 -3.763 12.331 -20.371 1.00 0.00 O ATOM 699 CB PRO A 51 -0.200 11.486 -20.372 1.00 0.00 C ATOM 700 CG PRO A 51 0.516 11.772 -19.053 1.00 0.00 C ATOM 701 CD PRO A 51 0.306 13.276 -18.877 1.00 0.00 C ATOM 0 HA PRO A 51 -1.618 12.801 -21.350 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -0.526 10.448 -20.436 1.00 0.00 H new ATOM 0 HB3 PRO A 51 0.447 11.671 -21.230 1.00 0.00 H new ATOM 0 HG2 PRO A 51 0.087 11.204 -18.228 1.00 0.00 H new ATOM 0 HG3 PRO A 51 1.574 11.514 -19.102 1.00 0.00 H new ATOM 0 HD2 PRO A 51 0.313 13.552 -17.823 1.00 0.00 H new ATOM 0 HD3 PRO A 51 1.102 13.842 -19.360 1.00 0.00 H new ATOM 709 N VAL A 52 -2.706 10.724 -19.168 1.00 0.00 N ATOM 710 CA VAL A 52 -3.857 9.958 -18.687 1.00 0.00 C ATOM 711 C VAL A 52 -5.101 10.092 -19.582 1.00 0.00 C ATOM 712 O VAL A 52 -5.113 9.517 -20.670 1.00 0.00 O ATOM 713 CB VAL A 52 -4.088 10.249 -17.189 1.00 0.00 C ATOM 714 CG1 VAL A 52 -3.057 9.499 -16.334 1.00 0.00 C ATOM 715 CG2 VAL A 52 -3.983 11.745 -16.871 1.00 0.00 C ATOM 0 H VAL A 52 -1.825 10.330 -18.839 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.628 8.895 -18.767 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.097 9.910 -16.955 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.233 9.714 -15.280 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.152 8.427 -16.506 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.053 9.823 -16.608 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.152 11.903 -15.806 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.989 12.105 -17.138 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.733 12.292 -17.443 1.00 0.00 H new ATOM 725 N ASP A 53 -6.135 10.838 -19.156 1.00 0.00 N ATOM 726 CA ASP A 53 -7.353 11.047 -19.934 1.00 0.00 C ATOM 727 C ASP A 53 -8.170 12.241 -19.423 1.00 0.00 C ATOM 728 O ASP A 53 -8.631 13.049 -20.229 1.00 0.00 O ATOM 729 CB ASP A 53 -8.203 9.766 -19.993 1.00 0.00 C ATOM 730 CG ASP A 53 -8.721 9.305 -18.632 1.00 0.00 C ATOM 731 OD1 ASP A 53 -7.873 8.954 -17.782 1.00 0.00 O ATOM 732 OD2 ASP A 53 -9.960 9.299 -18.467 1.00 0.00 O ATOM 0 H ASP A 53 -6.142 11.314 -18.254 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.045 11.290 -20.951 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -9.052 9.935 -20.656 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.608 8.967 -20.434 1.00 0.00 H new ATOM 737 N GLY A 54 -8.347 12.362 -18.099 1.00 0.00 N ATOM 738 CA GLY A 54 -9.116 13.429 -17.470 1.00 0.00 C ATOM 739 C GLY A 54 -10.567 12.983 -17.254 1.00 0.00 C ATOM 740 O GLY A 54 -10.857 11.795 -17.381 1.00 0.00 O ATOM 0 H GLY A 54 -7.949 11.705 -17.428 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -8.665 13.697 -16.515 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.092 14.321 -18.096 1.00 0.00 H new ATOM 744 N PRO A 55 -11.500 13.895 -16.922 1.00 0.00 N ATOM 745 CA PRO A 55 -11.308 15.328 -16.719 1.00 0.00 C ATOM 746 C PRO A 55 -10.335 15.676 -15.584 1.00 0.00 C ATOM 747 O PRO A 55 -10.000 14.827 -14.760 1.00 0.00 O ATOM 748 CB PRO A 55 -12.699 15.918 -16.460 1.00 0.00 C ATOM 749 CG PRO A 55 -13.669 14.745 -16.328 1.00 0.00 C ATOM 750 CD PRO A 55 -12.886 13.501 -16.736 1.00 0.00 C ATOM 0 HA PRO A 55 -10.841 15.755 -17.607 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -12.698 16.521 -15.552 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -12.997 16.574 -17.278 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -14.037 14.656 -15.306 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -14.540 14.885 -16.969 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -12.965 12.730 -15.969 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -13.291 13.079 -17.656 1.00 0.00 H new ATOM 758 N TYR A 56 -9.896 16.944 -15.549 1.00 0.00 N ATOM 759 CA TYR A 56 -8.953 17.465 -14.568 1.00 0.00 C ATOM 760 C TYR A 56 -9.438 18.783 -13.971 1.00 0.00 C ATOM 761 O TYR A 56 -10.021 19.610 -14.673 1.00 0.00 O ATOM 762 CB TYR A 56 -7.606 17.791 -15.233 1.00 0.00 C ATOM 763 CG TYR A 56 -7.066 16.826 -16.266 1.00 0.00 C ATOM 764 CD1 TYR A 56 -7.570 16.849 -17.580 1.00 0.00 C ATOM 765 CD2 TYR A 56 -6.052 15.917 -15.920 1.00 0.00 C ATOM 766 CE1 TYR A 56 -7.065 15.964 -18.545 1.00 0.00 C ATOM 767 CE2 TYR A 56 -5.546 15.031 -16.885 1.00 0.00 C ATOM 768 CZ TYR A 56 -6.052 15.053 -18.197 1.00 0.00 C ATOM 769 OH TYR A 56 -5.573 14.187 -19.134 1.00 0.00 O ATOM 0 H TYR A 56 -10.200 17.647 -16.223 1.00 0.00 H new ATOM 0 HA TYR A 56 -8.858 16.695 -13.802 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -7.696 18.769 -15.706 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -6.860 17.886 -14.444 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -8.348 17.550 -17.846 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -5.662 15.900 -14.913 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -7.453 15.983 -19.553 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -4.767 14.332 -16.619 1.00 0.00 H new ATOM 0 HH TYR A 56 -4.644 14.417 -19.347 1.00 0.00 H new ATOM 779 N GLN A 57 -9.175 18.966 -12.672 1.00 0.00 N ATOM 780 CA GLN A 57 -9.510 20.169 -11.930 1.00 0.00 C ATOM 781 C GLN A 57 -8.347 20.488 -10.983 1.00 0.00 C ATOM 782 O GLN A 57 -7.599 19.595 -10.567 1.00 0.00 O ATOM 783 CB GLN A 57 -10.879 20.104 -11.232 1.00 0.00 C ATOM 784 CG GLN A 57 -12.096 20.111 -12.170 1.00 0.00 C ATOM 785 CD GLN A 57 -12.642 18.719 -12.475 1.00 0.00 C ATOM 786 OE1 GLN A 57 -12.355 18.149 -13.525 1.00 0.00 O ATOM 787 NE2 GLN A 57 -13.445 18.171 -11.560 1.00 0.00 N ATOM 0 H GLN A 57 -8.712 18.259 -12.101 1.00 0.00 H new ATOM 0 HA GLN A 57 -9.634 20.996 -12.630 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -10.915 19.200 -10.623 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -10.961 20.951 -10.551 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -12.887 20.712 -11.721 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -11.820 20.597 -13.106 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -13.659 18.677 -10.701 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -13.844 17.246 -11.720 1.00 0.00 H new ATOM 796 N GLU A 58 -8.212 21.781 -10.653 1.00 0.00 N ATOM 797 CA GLU A 58 -7.136 22.300 -9.803 1.00 0.00 C ATOM 798 C GLU A 58 -7.346 22.207 -8.290 1.00 0.00 C ATOM 799 O GLU A 58 -8.469 22.161 -7.809 1.00 0.00 O ATOM 800 CB GLU A 58 -6.779 23.739 -10.200 1.00 0.00 C ATOM 801 CG GLU A 58 -7.959 24.669 -10.500 1.00 0.00 C ATOM 802 CD GLU A 58 -7.495 26.098 -10.789 1.00 0.00 C ATOM 803 OE1 GLU A 58 -6.345 26.251 -11.258 1.00 0.00 O ATOM 804 OE2 GLU A 58 -8.291 27.025 -10.531 1.00 0.00 O ATOM 0 H GLU A 58 -8.857 22.503 -10.974 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.306 21.621 -9.998 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.190 24.181 -9.396 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.138 23.703 -11.081 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.515 24.287 -11.356 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -8.644 24.673 -9.652 1.00 0.00 H new ATOM 811 N PHE A 59 -6.235 22.163 -7.536 1.00 0.00 N ATOM 812 CA PHE A 59 -6.230 22.104 -6.078 1.00 0.00 C ATOM 813 C PHE A 59 -4.851 22.546 -5.564 1.00 0.00 C ATOM 814 O PHE A 59 -3.906 21.773 -5.681 1.00 0.00 O ATOM 815 CB PHE A 59 -6.587 20.691 -5.633 1.00 0.00 C ATOM 816 CG PHE A 59 -7.019 20.691 -4.185 1.00 0.00 C ATOM 817 CD1 PHE A 59 -8.355 20.984 -3.849 1.00 0.00 C ATOM 818 CD2 PHE A 59 -6.086 20.413 -3.172 1.00 0.00 C ATOM 819 CE1 PHE A 59 -8.757 20.995 -2.501 1.00 0.00 C ATOM 820 CE2 PHE A 59 -6.494 20.402 -1.832 1.00 0.00 C ATOM 821 CZ PHE A 59 -7.825 20.696 -1.491 1.00 0.00 C ATOM 0 H PHE A 59 -5.298 22.168 -7.939 1.00 0.00 H new ATOM 0 HA PHE A 59 -6.974 22.780 -5.658 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -7.388 20.297 -6.259 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -5.728 20.033 -5.763 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -9.072 21.201 -4.627 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -5.056 20.208 -3.426 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -9.778 21.232 -2.242 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.781 20.166 -1.056 1.00 0.00 H new ATOM 0 HZ PHE A 59 -8.132 20.692 -0.455 1.00 0.00 H new ATOM 831 N PRO A 60 -4.653 23.737 -4.974 1.00 0.00 N ATOM 832 CA PRO A 60 -3.333 24.168 -4.560 1.00 0.00 C ATOM 833 C PRO A 60 -2.786 23.691 -3.218 1.00 0.00 C ATOM 834 O PRO A 60 -3.532 23.337 -2.308 1.00 0.00 O ATOM 835 CB PRO A 60 -3.372 25.697 -4.595 1.00 0.00 C ATOM 836 CG PRO A 60 -4.797 26.047 -5.025 1.00 0.00 C ATOM 837 CD PRO A 60 -5.580 24.793 -4.655 1.00 0.00 C ATOM 0 HA PRO A 60 -2.634 23.697 -5.251 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.140 26.120 -3.618 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -2.639 26.095 -5.297 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -5.172 26.927 -4.503 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -4.856 26.261 -6.092 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -5.857 24.784 -3.601 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.504 24.708 -5.228 1.00 0.00 H new ATOM 845 N ILE A 61 -1.445 23.694 -3.149 1.00 0.00 N ATOM 846 CA ILE A 61 -0.631 23.347 -2.003 1.00 0.00 C ATOM 847 C ILE A 61 -0.050 24.592 -1.387 1.00 0.00 C ATOM 848 O ILE A 61 -0.177 25.717 -1.866 1.00 0.00 O ATOM 849 CB ILE A 61 0.481 22.371 -2.375 1.00 0.00 C ATOM 850 CG1 ILE A 61 1.337 21.679 -1.294 1.00 0.00 C ATOM 851 CG2 ILE A 61 1.310 22.847 -3.567 1.00 0.00 C ATOM 852 CD1 ILE A 61 1.802 20.302 -1.760 1.00 0.00 C ATOM 0 H ILE A 61 -0.876 23.958 -3.953 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.273 22.851 -1.275 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.142 21.521 -2.653 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.203 22.298 -1.059 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.758 21.579 -0.376 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.086 22.114 -3.787 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.663 22.963 -4.437 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.773 23.805 -3.329 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.403 19.837 -0.979 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.934 19.677 -1.970 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.401 20.407 -2.664 1.00 0.00 H new ATOM 864 N LYS A 62 0.604 24.272 -0.292 1.00 0.00 N ATOM 865 CA LYS A 62 1.296 25.201 0.593 1.00 0.00 C ATOM 866 C LYS A 62 2.322 24.502 1.487 1.00 0.00 C ATOM 867 O LYS A 62 2.325 23.277 1.609 1.00 0.00 O ATOM 868 CB LYS A 62 0.295 26.056 1.396 1.00 0.00 C ATOM 869 CG LYS A 62 0.643 27.554 1.384 1.00 0.00 C ATOM 870 CD LYS A 62 0.357 28.212 0.024 1.00 0.00 C ATOM 871 CE LYS A 62 0.622 29.721 0.045 1.00 0.00 C ATOM 872 NZ LYS A 62 2.057 30.022 0.187 1.00 0.00 N ATOM 0 H LYS A 62 0.675 23.306 0.028 1.00 0.00 H new ATOM 0 HA LYS A 62 1.868 25.883 -0.036 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.705 25.917 0.985 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.268 25.703 2.427 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.070 28.063 2.159 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.697 27.681 1.632 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.978 27.746 -0.741 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.681 28.031 -0.254 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.246 30.169 -0.875 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.072 30.175 0.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.202 31.051 0.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.399 29.660 1.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.585 29.567 -0.585 1.00 0.00 H new ATOM 886 N SER A 63 3.188 25.304 2.121 1.00 0.00 N ATOM 887 CA SER A 63 4.238 24.866 3.029 1.00 0.00 C ATOM 888 C SER A 63 3.667 24.800 4.446 1.00 0.00 C ATOM 889 O SER A 63 4.109 25.516 5.344 1.00 0.00 O ATOM 890 CB SER A 63 5.435 25.819 2.910 1.00 0.00 C ATOM 891 OG SER A 63 6.516 25.357 3.691 1.00 0.00 O ATOM 0 H SER A 63 3.169 26.317 2.005 1.00 0.00 H new ATOM 0 HA SER A 63 4.595 23.869 2.773 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.741 25.899 1.867 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.145 26.818 3.235 1.00 0.00 H new ATOM 0 HG SER A 63 7.271 25.975 3.603 1.00 0.00 H new ATOM 897 N GLY A 64 2.667 23.929 4.620 1.00 0.00 N ATOM 898 CA GLY A 64 1.971 23.698 5.875 1.00 0.00 C ATOM 899 C GLY A 64 0.594 24.350 5.821 1.00 0.00 C ATOM 900 O GLY A 64 0.310 25.278 6.578 1.00 0.00 O ATOM 0 H GLY A 64 2.313 23.349 3.859 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.871 22.628 6.056 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.547 24.109 6.704 1.00 0.00 H new ATOM 904 N GLY A 65 -0.260 23.857 4.915 1.00 0.00 N ATOM 905 CA GLY A 65 -1.609 24.356 4.715 1.00 0.00 C ATOM 906 C GLY A 65 -2.183 23.789 3.420 1.00 0.00 C ATOM 907 O GLY A 65 -1.451 23.590 2.451 1.00 0.00 O ATOM 0 H GLY A 65 -0.019 23.085 4.293 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.240 24.073 5.558 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.601 25.445 4.674 1.00 0.00 H new ATOM 911 N VAL A 66 -3.495 23.520 3.420 1.00 0.00 N ATOM 912 CA VAL A 66 -4.222 22.988 2.278 1.00 0.00 C ATOM 913 C VAL A 66 -5.366 23.956 1.968 1.00 0.00 C ATOM 914 O VAL A 66 -6.542 23.633 2.127 1.00 0.00 O ATOM 915 CB VAL A 66 -4.672 21.547 2.575 1.00 0.00 C ATOM 916 CG1 VAL A 66 -5.222 20.893 1.306 1.00 0.00 C ATOM 917 CG2 VAL A 66 -3.498 20.679 3.054 1.00 0.00 C ATOM 0 H VAL A 66 -4.087 23.672 4.237 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.600 22.917 1.385 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.434 21.608 3.352 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.537 19.874 1.529 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.075 21.465 0.942 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.446 20.874 0.541 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.851 19.668 3.255 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.729 20.648 2.282 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.079 21.105 3.966 1.00 0.00 H new ATOM 927 N TYR A 67 -4.976 25.160 1.528 1.00 0.00 N ATOM 928 CA TYR A 67 -5.829 26.279 1.166 1.00 0.00 C ATOM 929 C TYR A 67 -6.630 26.823 2.350 1.00 0.00 C ATOM 930 O TYR A 67 -7.628 26.234 2.760 1.00 0.00 O ATOM 931 CB TYR A 67 -6.728 25.959 -0.035 1.00 0.00 C ATOM 932 CG TYR A 67 -7.181 27.213 -0.765 1.00 0.00 C ATOM 933 CD1 TYR A 67 -8.154 28.064 -0.206 1.00 0.00 C ATOM 934 CD2 TYR A 67 -6.609 27.535 -2.009 1.00 0.00 C ATOM 935 CE1 TYR A 67 -8.549 29.228 -0.887 1.00 0.00 C ATOM 936 CE2 TYR A 67 -7.011 28.693 -2.697 1.00 0.00 C ATOM 937 CZ TYR A 67 -7.983 29.541 -2.136 1.00 0.00 C ATOM 938 OH TYR A 67 -8.374 30.665 -2.803 1.00 0.00 O ATOM 0 H TYR A 67 -3.988 25.384 1.411 1.00 0.00 H new ATOM 0 HA TYR A 67 -5.157 27.080 0.857 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -6.189 25.312 -0.728 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -7.602 25.403 0.306 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -8.598 27.821 0.748 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -5.857 26.889 -2.438 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -9.288 29.883 -0.451 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -6.574 28.931 -3.655 1.00 0.00 H new ATOM 0 HH TYR A 67 -7.883 30.731 -3.649 1.00 0.00 H new ATOM 948 N THR A 68 -6.179 27.963 2.883 1.00 0.00 N ATOM 949 CA THR A 68 -6.797 28.675 3.990 1.00 0.00 C ATOM 950 C THR A 68 -6.719 30.159 3.627 1.00 0.00 C ATOM 951 O THR A 68 -6.044 30.941 4.297 1.00 0.00 O ATOM 952 CB THR A 68 -6.102 28.329 5.320 1.00 0.00 C ATOM 953 OG1 THR A 68 -4.715 28.581 5.241 1.00 0.00 O ATOM 954 CG2 THR A 68 -6.323 26.865 5.713 1.00 0.00 C ATOM 0 H THR A 68 -5.340 28.428 2.536 1.00 0.00 H new ATOM 0 HA THR A 68 -7.838 28.388 4.141 1.00 0.00 H new ATOM 0 HB THR A 68 -6.548 28.966 6.084 1.00 0.00 H new ATOM 0 HG1 THR A 68 -4.566 29.522 5.011 1.00 0.00 H new ATOM 0 HG21 THR A 68 -5.817 26.661 6.657 1.00 0.00 H new ATOM 0 HG22 THR A 68 -7.391 26.676 5.826 1.00 0.00 H new ATOM 0 HG23 THR A 68 -5.919 26.215 4.937 1.00 0.00 H new ATOM 962 N GLY A 69 -7.416 30.530 2.544 1.00 0.00 N ATOM 963 CA GLY A 69 -7.459 31.884 2.016 1.00 0.00 C ATOM 964 C GLY A 69 -6.339 32.068 0.993 1.00 0.00 C ATOM 965 O GLY A 69 -6.605 32.203 -0.201 1.00 0.00 O ATOM 0 H GLY A 69 -7.978 29.873 2.003 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -8.426 32.074 1.550 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -7.348 32.605 2.826 1.00 0.00 H new ATOM 969 N GLY A 70 -5.088 32.072 1.473 1.00 0.00 N ATOM 970 CA GLY A 70 -3.901 32.228 0.644 1.00 0.00 C ATOM 971 C GLY A 70 -3.783 33.667 0.139 1.00 0.00 C ATOM 972 O GLY A 70 -3.966 34.601 0.918 1.00 0.00 O ATOM 0 H GLY A 70 -4.877 31.965 2.465 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -3.013 31.964 1.218 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -3.949 31.543 -0.202 1.00 0.00 H new ATOM 976 N SER A 71 -3.468 33.818 -1.156 1.00 0.00 N ATOM 977 CA SER A 71 -3.308 35.073 -1.891 1.00 0.00 C ATOM 978 C SER A 71 -2.303 36.039 -1.235 1.00 0.00 C ATOM 979 O SER A 71 -2.647 36.704 -0.258 1.00 0.00 O ATOM 980 CB SER A 71 -4.674 35.721 -2.179 1.00 0.00 C ATOM 981 OG SER A 71 -5.343 36.138 -1.009 1.00 0.00 O ATOM 0 H SER A 71 -3.308 33.008 -1.755 1.00 0.00 H new ATOM 0 HA SER A 71 -2.860 34.826 -2.854 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.532 36.580 -2.835 1.00 0.00 H new ATOM 0 HB3 SER A 71 -5.302 35.010 -2.716 1.00 0.00 H new ATOM 0 HG SER A 71 -4.692 36.496 -0.370 1.00 0.00 H new ATOM 987 N PRO A 72 -1.060 36.154 -1.741 1.00 0.00 N ATOM 988 CA PRO A 72 -0.526 35.524 -2.941 1.00 0.00 C ATOM 989 C PRO A 72 -0.285 34.024 -2.748 1.00 0.00 C ATOM 990 O PRO A 72 -0.461 33.482 -1.658 1.00 0.00 O ATOM 991 CB PRO A 72 0.787 36.264 -3.222 1.00 0.00 C ATOM 992 CG PRO A 72 1.273 36.616 -1.819 1.00 0.00 C ATOM 993 CD PRO A 72 -0.037 36.987 -1.126 1.00 0.00 C ATOM 0 HA PRO A 72 -1.228 35.594 -3.772 1.00 0.00 H new ATOM 0 HB2 PRO A 72 1.502 35.635 -3.753 1.00 0.00 H new ATOM 0 HB3 PRO A 72 0.629 37.153 -3.832 1.00 0.00 H new ATOM 0 HG2 PRO A 72 1.770 35.775 -1.334 1.00 0.00 H new ATOM 0 HG3 PRO A 72 1.982 37.444 -1.826 1.00 0.00 H new ATOM 0 HD2 PRO A 72 0.023 36.805 -0.053 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -0.263 38.045 -1.257 1.00 0.00 H new ATOM 1001 N GLY A 73 0.136 33.365 -3.831 1.00 0.00 N ATOM 1002 CA GLY A 73 0.414 31.943 -3.889 1.00 0.00 C ATOM 1003 C GLY A 73 0.906 31.620 -5.296 1.00 0.00 C ATOM 1004 O GLY A 73 0.724 32.420 -6.215 1.00 0.00 O ATOM 0 H GLY A 73 0.296 33.834 -4.722 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.167 31.671 -3.149 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.483 31.369 -3.657 1.00 0.00 H new ATOM 1008 N ALA A 74 1.531 30.452 -5.470 1.00 0.00 N ATOM 1009 CA ALA A 74 2.062 30.043 -6.759 1.00 0.00 C ATOM 1010 C ALA A 74 2.010 28.532 -6.934 1.00 0.00 C ATOM 1011 O ALA A 74 1.619 28.084 -8.002 1.00 0.00 O ATOM 1012 CB ALA A 74 3.491 30.578 -6.919 1.00 0.00 C ATOM 0 H ALA A 74 1.679 29.773 -4.723 1.00 0.00 H new ATOM 0 HA ALA A 74 1.437 30.469 -7.544 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.888 30.271 -7.886 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.481 31.666 -6.860 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.121 30.178 -6.124 1.00 0.00 H new ATOM 1018 N ASP A 75 2.382 27.752 -5.911 1.00 0.00 N ATOM 1019 CA ASP A 75 2.400 26.294 -5.972 1.00 0.00 C ATOM 1020 C ASP A 75 1.001 25.665 -6.039 1.00 0.00 C ATOM 1021 O ASP A 75 0.283 25.643 -5.037 1.00 0.00 O ATOM 1022 CB ASP A 75 3.189 25.736 -4.782 1.00 0.00 C ATOM 1023 CG ASP A 75 4.608 26.294 -4.707 1.00 0.00 C ATOM 1024 OD1 ASP A 75 5.487 25.716 -5.381 1.00 0.00 O ATOM 1025 OD2 ASP A 75 4.789 27.292 -3.974 1.00 0.00 O ATOM 0 H ASP A 75 2.681 28.125 -5.010 1.00 0.00 H new ATOM 0 HA ASP A 75 2.893 26.022 -6.906 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.661 25.971 -3.858 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.233 24.649 -4.857 1.00 0.00 H new ATOM 1030 N ARG A 76 0.630 25.145 -7.221 1.00 0.00 N ATOM 1031 CA ARG A 76 -0.648 24.488 -7.468 1.00 0.00 C ATOM 1032 C ARG A 76 -0.455 23.034 -7.900 1.00 0.00 C ATOM 1033 O ARG A 76 0.318 22.777 -8.821 1.00 0.00 O ATOM 1034 CB ARG A 76 -1.445 25.156 -8.606 1.00 0.00 C ATOM 1035 CG ARG A 76 -2.288 26.387 -8.251 1.00 0.00 C ATOM 1036 CD ARG A 76 -1.414 27.591 -7.903 1.00 0.00 C ATOM 1037 NE ARG A 76 -2.096 28.871 -8.120 1.00 0.00 N ATOM 1038 CZ ARG A 76 -3.028 29.418 -7.324 1.00 0.00 C ATOM 1039 NH1 ARG A 76 -3.444 28.795 -6.213 1.00 0.00 N ATOM 1040 NH2 ARG A 76 -3.545 30.612 -7.643 1.00 0.00 N ATOM 0 H ARG A 76 1.230 25.175 -8.045 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.187 24.562 -6.523 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -0.740 25.444 -9.386 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.109 24.406 -9.037 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.936 26.639 -9.091 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.937 26.152 -7.407 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.106 27.521 -6.860 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -0.506 27.562 -8.506 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.837 29.396 -8.956 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.051 27.888 -5.959 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.153 29.227 -5.621 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.230 31.096 -8.484 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -4.254 31.037 -7.045 1.00 0.00 H new ATOM 1054 N VAL A 77 -1.152 22.085 -7.253 1.00 0.00 N ATOM 1055 CA VAL A 77 -1.099 20.679 -7.644 1.00 0.00 C ATOM 1056 C VAL A 77 -2.415 20.483 -8.397 1.00 0.00 C ATOM 1057 O VAL A 77 -3.396 21.175 -8.132 1.00 0.00 O ATOM 1058 CB VAL A 77 -0.828 19.678 -6.504 1.00 0.00 C ATOM 1059 CG1 VAL A 77 0.606 19.834 -5.985 1.00 0.00 C ATOM 1060 CG2 VAL A 77 -1.809 19.745 -5.333 1.00 0.00 C ATOM 0 H VAL A 77 -1.759 22.274 -6.455 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.231 20.456 -8.264 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.974 18.696 -6.954 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.781 19.120 -5.180 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.309 19.646 -6.796 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.749 20.847 -5.609 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.533 19.002 -4.584 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.776 20.739 -4.887 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.818 19.541 -5.692 1.00 0.00 H new ATOM 1070 N VAL A 78 -2.464 19.560 -9.352 1.00 0.00 N ATOM 1071 CA VAL A 78 -3.662 19.347 -10.152 1.00 0.00 C ATOM 1072 C VAL A 78 -3.895 17.845 -10.243 1.00 0.00 C ATOM 1073 O VAL A 78 -2.945 17.093 -10.461 1.00 0.00 O ATOM 1074 CB VAL A 78 -3.456 20.119 -11.469 1.00 0.00 C ATOM 1075 CG1 VAL A 78 -4.537 19.857 -12.522 1.00 0.00 C ATOM 1076 CG2 VAL A 78 -3.382 21.628 -11.141 1.00 0.00 C ATOM 0 H VAL A 78 -1.685 18.946 -9.590 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.588 19.738 -9.731 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.527 19.763 -11.914 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.320 20.437 -13.419 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.553 18.796 -12.771 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.509 20.151 -12.126 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.236 22.194 -12.061 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.311 21.943 -10.665 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.547 21.813 -10.465 1.00 0.00 H new ATOM 1086 N ILE A 79 -5.155 17.416 -10.065 1.00 0.00 N ATOM 1087 CA ILE A 79 -5.501 15.998 -10.069 1.00 0.00 C ATOM 1088 C ILE A 79 -6.559 15.636 -11.110 1.00 0.00 C ATOM 1089 O ILE A 79 -7.261 16.498 -11.642 1.00 0.00 O ATOM 1090 CB ILE A 79 -5.904 15.548 -8.646 1.00 0.00 C ATOM 1091 CG1 ILE A 79 -7.317 15.991 -8.224 1.00 0.00 C ATOM 1092 CG2 ILE A 79 -4.883 16.032 -7.600 1.00 0.00 C ATOM 1093 CD1 ILE A 79 -7.825 15.155 -7.043 1.00 0.00 C ATOM 0 H ILE A 79 -5.949 18.039 -9.917 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.610 15.446 -10.370 1.00 0.00 H new ATOM 0 HB ILE A 79 -5.911 14.459 -8.686 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.304 17.046 -7.949 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -8.001 15.890 -9.067 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -5.193 15.701 -6.609 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.902 15.618 -7.831 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.831 17.121 -7.619 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.825 15.488 -6.765 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -7.859 14.104 -7.329 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -7.152 15.278 -6.194 1.00 0.00 H new ATOM 1105 N ASN A 80 -6.652 14.326 -11.367 1.00 0.00 N ATOM 1106 CA ASN A 80 -7.575 13.686 -12.288 1.00 0.00 C ATOM 1107 C ASN A 80 -8.919 13.536 -11.600 1.00 0.00 C ATOM 1108 O ASN A 80 -9.049 13.804 -10.404 1.00 0.00 O ATOM 1109 CB ASN A 80 -7.025 12.319 -12.708 1.00 0.00 C ATOM 1110 CG ASN A 80 -5.657 12.431 -13.372 1.00 0.00 C ATOM 1111 OD1 ASN A 80 -5.353 13.437 -14.008 1.00 0.00 O ATOM 1112 ND2 ASN A 80 -4.827 11.398 -13.218 1.00 0.00 N ATOM 0 H ASN A 80 -6.044 13.650 -10.905 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.695 14.293 -13.185 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -6.951 11.674 -11.833 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -7.724 11.843 -13.396 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -3.897 11.424 -13.637 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -5.122 10.582 -12.681 1.00 0.00 H new ATOM 1119 N THR A 81 -9.917 13.090 -12.366 1.00 0.00 N ATOM 1120 CA THR A 81 -11.265 12.940 -11.885 1.00 0.00 C ATOM 1121 C THR A 81 -11.563 11.789 -10.949 1.00 0.00 C ATOM 1122 O THR A 81 -12.609 11.802 -10.299 1.00 0.00 O ATOM 1123 CB THR A 81 -12.240 13.243 -13.029 1.00 0.00 C ATOM 1124 OG1 THR A 81 -12.439 14.635 -13.146 1.00 0.00 O ATOM 1125 CG2 THR A 81 -13.582 12.541 -12.939 1.00 0.00 C ATOM 0 H THR A 81 -9.797 12.824 -13.343 1.00 0.00 H new ATOM 0 HA THR A 81 -11.437 13.699 -11.121 1.00 0.00 H new ATOM 0 HB THR A 81 -11.759 12.840 -13.921 1.00 0.00 H new ATOM 0 HG1 THR A 81 -13.400 14.827 -13.176 1.00 0.00 H new ATOM 0 HG21 THR A 81 -14.197 12.822 -13.794 1.00 0.00 H new ATOM 0 HG22 THR A 81 -13.429 11.462 -12.941 1.00 0.00 H new ATOM 0 HG23 THR A 81 -14.085 12.835 -12.018 1.00 0.00 H new ATOM 1133 N ASN A 82 -10.672 10.806 -10.851 1.00 0.00 N ATOM 1134 CA ASN A 82 -10.913 9.740 -9.913 1.00 0.00 C ATOM 1135 C ASN A 82 -10.441 10.380 -8.602 1.00 0.00 C ATOM 1136 O ASN A 82 -11.238 10.927 -7.842 1.00 0.00 O ATOM 1137 CB ASN A 82 -10.137 8.479 -10.331 1.00 0.00 C ATOM 1138 CG ASN A 82 -10.696 7.811 -11.587 1.00 0.00 C ATOM 1139 OD1 ASN A 82 -11.791 8.129 -12.046 1.00 0.00 O ATOM 1140 ND2 ASN A 82 -9.921 6.879 -12.150 1.00 0.00 N ATOM 0 H ASN A 82 -9.810 10.734 -11.392 1.00 0.00 H new ATOM 0 HA ASN A 82 -11.941 9.385 -9.842 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -9.094 8.744 -10.503 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -10.153 7.763 -9.510 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -10.232 6.400 -12.995 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -9.019 6.647 -11.734 1.00 0.00 H new ATOM 1147 N CYS A 83 -9.129 10.298 -8.385 1.00 0.00 N ATOM 1148 CA CYS A 83 -8.361 10.789 -7.244 1.00 0.00 C ATOM 1149 C CYS A 83 -6.844 10.867 -7.500 1.00 0.00 C ATOM 1150 O CYS A 83 -6.114 11.280 -6.598 1.00 0.00 O ATOM 1151 CB CYS A 83 -8.678 9.967 -5.982 1.00 0.00 C ATOM 1152 SG CYS A 83 -10.124 10.544 -5.045 1.00 0.00 S ATOM 0 H CYS A 83 -8.522 9.844 -9.067 1.00 0.00 H new ATOM 0 HA CYS A 83 -8.679 11.819 -7.084 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -8.840 8.929 -6.272 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -7.807 9.982 -5.326 1.00 0.00 H new ATOM 1157 N GLU A 84 -6.341 10.502 -8.692 1.00 0.00 N ATOM 1158 CA GLU A 84 -4.909 10.463 -8.967 1.00 0.00 C ATOM 1159 C GLU A 84 -4.249 11.807 -9.269 1.00 0.00 C ATOM 1160 O GLU A 84 -4.733 12.589 -10.082 1.00 0.00 O ATOM 1161 CB GLU A 84 -4.640 9.477 -10.112 1.00 0.00 C ATOM 1162 CG GLU A 84 -4.737 8.005 -9.682 1.00 0.00 C ATOM 1163 CD GLU A 84 -6.149 7.584 -9.276 1.00 0.00 C ATOM 1164 OE1 GLU A 84 -6.968 7.381 -10.197 1.00 0.00 O ATOM 1165 OE2 GLU A 84 -6.384 7.469 -8.053 1.00 0.00 O ATOM 0 H GLU A 84 -6.921 10.228 -9.485 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.447 10.137 -8.035 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.353 9.661 -10.916 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.646 9.665 -10.518 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -4.398 7.371 -10.502 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -4.060 7.833 -8.845 1.00 0.00 H new ATOM 1172 N TYR A 85 -3.116 12.034 -8.593 1.00 0.00 N ATOM 1173 CA TYR A 85 -2.260 13.206 -8.688 1.00 0.00 C ATOM 1174 C TYR A 85 -1.504 13.141 -10.021 1.00 0.00 C ATOM 1175 O TYR A 85 -0.717 12.222 -10.242 1.00 0.00 O ATOM 1176 CB TYR A 85 -1.347 13.237 -7.441 1.00 0.00 C ATOM 1177 CG TYR A 85 0.052 13.793 -7.626 1.00 0.00 C ATOM 1178 CD1 TYR A 85 0.238 15.065 -8.196 1.00 0.00 C ATOM 1179 CD2 TYR A 85 1.174 13.037 -7.230 1.00 0.00 C ATOM 1180 CE1 TYR A 85 1.536 15.574 -8.367 1.00 0.00 C ATOM 1181 CE2 TYR A 85 2.470 13.540 -7.423 1.00 0.00 C ATOM 1182 CZ TYR A 85 2.655 14.807 -7.993 1.00 0.00 C ATOM 1183 OH TYR A 85 3.921 15.284 -8.164 1.00 0.00 O ATOM 0 H TYR A 85 -2.756 11.354 -7.923 1.00 0.00 H new ATOM 0 HA TYR A 85 -2.819 14.142 -8.691 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -1.846 13.825 -6.670 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -1.260 12.220 -7.060 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -0.617 15.650 -8.502 1.00 0.00 H new ATOM 0 HD2 TYR A 85 1.036 12.067 -6.776 1.00 0.00 H new ATOM 0 HE1 TYR A 85 1.676 16.559 -8.788 1.00 0.00 H new ATOM 0 HE2 TYR A 85 3.326 12.950 -7.132 1.00 0.00 H new ATOM 0 HH TYR A 85 4.567 14.618 -7.848 1.00 0.00 H new ATOM 1193 N ALA A 86 -1.748 14.129 -10.895 1.00 0.00 N ATOM 1194 CA ALA A 86 -1.157 14.243 -12.224 1.00 0.00 C ATOM 1195 C ALA A 86 -0.199 15.428 -12.323 1.00 0.00 C ATOM 1196 O ALA A 86 1.005 15.236 -12.487 1.00 0.00 O ATOM 1197 CB ALA A 86 -2.289 14.369 -13.248 1.00 0.00 C ATOM 0 H ALA A 86 -2.387 14.895 -10.682 1.00 0.00 H new ATOM 0 HA ALA A 86 -0.566 13.350 -12.427 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -1.866 14.455 -14.249 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -2.925 13.485 -13.198 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -2.882 15.256 -13.027 1.00 0.00 H new ATOM 1203 N GLY A 87 -0.735 16.649 -12.212 1.00 0.00 N ATOM 1204 CA GLY A 87 0.028 17.877 -12.324 1.00 0.00 C ATOM 1205 C GLY A 87 0.681 18.377 -11.040 1.00 0.00 C ATOM 1206 O GLY A 87 0.148 18.215 -9.945 1.00 0.00 O ATOM 0 H GLY A 87 -1.728 16.804 -12.039 1.00 0.00 H new ATOM 0 HA2 GLY A 87 0.808 17.730 -13.071 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -0.632 18.658 -12.701 1.00 0.00 H new ATOM 1210 N ALA A 88 1.851 19.000 -11.230 1.00 0.00 N ATOM 1211 CA ALA A 88 2.704 19.616 -10.228 1.00 0.00 C ATOM 1212 C ALA A 88 3.289 20.826 -10.945 1.00 0.00 C ATOM 1213 O ALA A 88 4.238 20.696 -11.717 1.00 0.00 O ATOM 1214 CB ALA A 88 3.785 18.651 -9.760 1.00 0.00 C ATOM 0 H ALA A 88 2.249 19.089 -12.165 1.00 0.00 H new ATOM 0 HA ALA A 88 2.166 19.896 -9.322 1.00 0.00 H new ATOM 0 HB1 ALA A 88 4.408 19.139 -9.011 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.320 17.766 -9.325 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.402 18.356 -10.609 1.00 0.00 H new ATOM 1220 N ILE A 89 2.709 21.999 -10.688 1.00 0.00 N ATOM 1221 CA ILE A 89 3.089 23.254 -11.323 1.00 0.00 C ATOM 1222 C ILE A 89 3.154 24.399 -10.306 1.00 0.00 C ATOM 1223 O ILE A 89 2.661 24.261 -9.188 1.00 0.00 O ATOM 1224 CB ILE A 89 2.081 23.507 -12.465 1.00 0.00 C ATOM 1225 CG1 ILE A 89 0.632 23.546 -11.939 1.00 0.00 C ATOM 1226 CG2 ILE A 89 2.213 22.411 -13.535 1.00 0.00 C ATOM 1227 CD1 ILE A 89 -0.389 23.943 -13.008 1.00 0.00 C ATOM 0 H ILE A 89 1.947 22.101 -10.018 1.00 0.00 H new ATOM 0 HA ILE A 89 4.095 23.197 -11.738 1.00 0.00 H new ATOM 0 HB ILE A 89 2.310 24.478 -12.904 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.370 22.565 -11.543 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.573 24.251 -11.110 1.00 0.00 H new ATOM 0 HG21 ILE A 89 1.498 22.597 -14.337 1.00 0.00 H new ATOM 0 HG22 ILE A 89 3.224 22.419 -13.941 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.010 21.438 -13.087 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -1.388 23.951 -12.572 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -0.151 24.937 -13.388 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.356 23.224 -13.827 1.00 0.00 H new ATOM 1239 N THR A 90 3.772 25.530 -10.684 1.00 0.00 N ATOM 1240 CA THR A 90 3.911 26.681 -9.801 1.00 0.00 C ATOM 1241 C THR A 90 4.200 28.009 -10.517 1.00 0.00 C ATOM 1242 O THR A 90 4.874 28.012 -11.545 1.00 0.00 O ATOM 1243 CB THR A 90 5.031 26.402 -8.778 1.00 0.00 C ATOM 1244 OG1 THR A 90 5.127 27.478 -7.867 1.00 0.00 O ATOM 1245 CG2 THR A 90 6.395 26.176 -9.446 1.00 0.00 C ATOM 0 H THR A 90 4.185 25.664 -11.607 1.00 0.00 H new ATOM 0 HA THR A 90 2.942 26.807 -9.317 1.00 0.00 H new ATOM 0 HB THR A 90 4.765 25.484 -8.254 1.00 0.00 H new ATOM 0 HG1 THR A 90 5.734 27.235 -7.137 1.00 0.00 H new ATOM 0 HG21 THR A 90 7.147 25.984 -8.681 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.334 25.320 -10.118 1.00 0.00 H new ATOM 0 HG23 THR A 90 6.673 27.064 -10.014 1.00 0.00 H new ATOM 1253 N HIS A 91 3.677 29.136 -9.990 1.00 0.00 N ATOM 1254 CA HIS A 91 3.951 30.481 -10.527 1.00 0.00 C ATOM 1255 C HIS A 91 5.320 31.019 -10.055 1.00 0.00 C ATOM 1256 O HIS A 91 5.489 32.232 -9.937 1.00 0.00 O ATOM 1257 CB HIS A 91 2.887 31.556 -10.188 1.00 0.00 C ATOM 1258 CG HIS A 91 1.482 31.327 -10.646 1.00 0.00 C ATOM 1259 ND1 HIS A 91 0.587 32.361 -10.873 1.00 0.00 N ATOM 1260 CD2 HIS A 91 0.788 30.186 -10.914 1.00 0.00 C ATOM 1261 CE1 HIS A 91 -0.574 31.804 -11.254 1.00 0.00 C ATOM 1262 NE2 HIS A 91 -0.516 30.475 -11.299 1.00 0.00 N ATOM 0 H HIS A 91 3.054 29.137 -9.182 1.00 0.00 H new ATOM 0 HA HIS A 91 3.934 30.324 -11.606 1.00 0.00 H new ATOM 0 HB2 HIS A 91 2.869 31.677 -9.105 1.00 0.00 H new ATOM 0 HB3 HIS A 91 3.224 32.503 -10.609 1.00 0.00 H new ATOM 0 HD2 HIS A 91 1.197 29.189 -10.838 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -1.459 32.373 -11.498 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -1.256 29.821 -11.556 1.00 0.00 H new ATOM 1270 N THR A 92 6.315 30.157 -9.789 1.00 0.00 N ATOM 1271 CA THR A 92 7.628 30.588 -9.313 1.00 0.00 C ATOM 1272 C THR A 92 8.402 31.426 -10.337 1.00 0.00 C ATOM 1273 O THR A 92 9.194 32.282 -9.948 1.00 0.00 O ATOM 1274 CB THR A 92 8.435 29.387 -8.806 1.00 0.00 C ATOM 1275 OG1 THR A 92 9.474 29.830 -7.960 1.00 0.00 O ATOM 1276 CG2 THR A 92 9.032 28.599 -9.967 1.00 0.00 C ATOM 0 H THR A 92 6.227 29.147 -9.899 1.00 0.00 H new ATOM 0 HA THR A 92 7.460 31.262 -8.473 1.00 0.00 H new ATOM 0 HB THR A 92 7.759 28.735 -8.253 1.00 0.00 H new ATOM 0 HG1 THR A 92 9.560 29.218 -7.199 1.00 0.00 H new ATOM 0 HG21 THR A 92 9.599 27.753 -9.579 1.00 0.00 H new ATOM 0 HG22 THR A 92 8.231 28.235 -10.610 1.00 0.00 H new ATOM 0 HG23 THR A 92 9.694 29.246 -10.543 1.00 0.00 H new ATOM 1284 N GLY A 93 8.177 31.176 -11.633 1.00 0.00 N ATOM 1285 CA GLY A 93 8.813 31.878 -12.738 1.00 0.00 C ATOM 1286 C GLY A 93 7.786 32.162 -13.829 1.00 0.00 C ATOM 1287 O GLY A 93 8.028 31.878 -15.002 1.00 0.00 O ATOM 0 H GLY A 93 7.525 30.455 -11.944 1.00 0.00 H new ATOM 0 HA2 GLY A 93 9.249 32.812 -12.384 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.629 31.278 -13.141 1.00 0.00 H new ATOM 1291 N ALA A 94 6.639 32.721 -13.423 1.00 0.00 N ATOM 1292 CA ALA A 94 5.523 33.067 -14.291 1.00 0.00 C ATOM 1293 C ALA A 94 5.499 34.568 -14.574 1.00 0.00 C ATOM 1294 O ALA A 94 5.963 35.369 -13.761 1.00 0.00 O ATOM 1295 CB ALA A 94 4.226 32.659 -13.592 1.00 0.00 C ATOM 0 H ALA A 94 6.463 32.950 -12.445 1.00 0.00 H new ATOM 0 HA ALA A 94 5.630 32.544 -15.241 1.00 0.00 H new ATOM 0 HB1 ALA A 94 3.376 32.910 -14.227 1.00 0.00 H new ATOM 0 HB2 ALA A 94 4.235 31.585 -13.406 1.00 0.00 H new ATOM 0 HB3 ALA A 94 4.141 33.191 -12.644 1.00 0.00 H new ATOM 1301 N SER A 95 4.955 34.940 -15.740 1.00 0.00 N ATOM 1302 CA SER A 95 4.817 36.320 -16.178 1.00 0.00 C ATOM 1303 C SER A 95 3.826 37.049 -15.266 1.00 0.00 C ATOM 1304 O SER A 95 4.090 38.168 -14.829 1.00 0.00 O ATOM 1305 CB SER A 95 4.348 36.338 -17.638 1.00 0.00 C ATOM 1306 OG SER A 95 4.221 37.668 -18.096 1.00 0.00 O ATOM 0 H SER A 95 4.592 34.267 -16.416 1.00 0.00 H new ATOM 0 HA SER A 95 5.776 36.835 -16.116 1.00 0.00 H new ATOM 0 HB2 SER A 95 5.060 35.798 -18.262 1.00 0.00 H new ATOM 0 HB3 SER A 95 3.391 35.823 -17.726 1.00 0.00 H new ATOM 0 HG SER A 95 3.923 37.665 -19.029 1.00 0.00 H new ATOM 1312 N GLY A 96 2.691 36.398 -14.980 1.00 0.00 N ATOM 1313 CA GLY A 96 1.636 36.909 -14.124 1.00 0.00 C ATOM 1314 C GLY A 96 0.758 35.731 -13.715 1.00 0.00 C ATOM 1315 O GLY A 96 0.894 35.207 -12.611 1.00 0.00 O ATOM 0 H GLY A 96 2.484 35.472 -15.355 1.00 0.00 H new ATOM 0 HA2 GLY A 96 2.059 37.394 -13.244 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.047 37.660 -14.650 1.00 0.00 H new ATOM 1319 N ASN A 97 -0.136 35.320 -14.624 1.00 0.00 N ATOM 1320 CA ASN A 97 -1.049 34.199 -14.432 1.00 0.00 C ATOM 1321 C ASN A 97 -0.497 32.922 -15.080 1.00 0.00 C ATOM 1322 O ASN A 97 -1.198 31.912 -15.124 1.00 0.00 O ATOM 1323 CB ASN A 97 -2.421 34.565 -15.012 1.00 0.00 C ATOM 1324 CG ASN A 97 -2.987 35.826 -14.363 1.00 0.00 C ATOM 1325 OD1 ASN A 97 -3.106 36.863 -15.014 1.00 0.00 O ATOM 1326 ND2 ASN A 97 -3.329 35.741 -13.075 1.00 0.00 N ATOM 0 H ASN A 97 -0.242 35.772 -15.532 1.00 0.00 H new ATOM 0 HA ASN A 97 -1.153 33.999 -13.366 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -2.333 34.717 -16.088 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -3.113 33.736 -14.862 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -3.706 36.557 -12.593 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -3.213 34.860 -12.574 1.00 0.00 H new ATOM 1333 N ASN A 98 0.753 32.954 -15.570 1.00 0.00 N ATOM 1334 CA ASN A 98 1.407 31.833 -16.228 1.00 0.00 C ATOM 1335 C ASN A 98 1.812 30.768 -15.197 1.00 0.00 C ATOM 1336 O ASN A 98 1.479 30.875 -14.015 1.00 0.00 O ATOM 1337 CB ASN A 98 2.588 32.385 -17.048 1.00 0.00 C ATOM 1338 CG ASN A 98 3.162 31.414 -18.080 1.00 0.00 C ATOM 1339 OD1 ASN A 98 2.473 30.511 -18.551 1.00 0.00 O ATOM 1340 ND2 ASN A 98 4.439 31.594 -18.425 1.00 0.00 N ATOM 0 H ASN A 98 1.343 33.784 -15.514 1.00 0.00 H new ATOM 0 HA ASN A 98 0.731 31.326 -16.916 1.00 0.00 H new ATOM 0 HB2 ASN A 98 2.264 33.290 -17.562 1.00 0.00 H new ATOM 0 HB3 ASN A 98 3.384 32.676 -16.362 1.00 0.00 H new ATOM 0 HD21 ASN A 98 4.877 30.970 -19.103 1.00 0.00 H new ATOM 0 HD22 ASN A 98 4.977 32.356 -18.011 1.00 0.00 H new ATOM 1347 N PHE A 99 2.530 29.735 -15.647 1.00 0.00 N ATOM 1348 CA PHE A 99 2.972 28.626 -14.819 1.00 0.00 C ATOM 1349 C PHE A 99 4.242 27.992 -15.386 1.00 0.00 C ATOM 1350 O PHE A 99 4.557 28.150 -16.565 1.00 0.00 O ATOM 1351 CB PHE A 99 1.878 27.545 -14.899 1.00 0.00 C ATOM 1352 CG PHE A 99 0.911 27.530 -13.748 1.00 0.00 C ATOM 1353 CD1 PHE A 99 1.361 27.022 -12.523 1.00 0.00 C ATOM 1354 CD2 PHE A 99 -0.410 27.992 -13.885 1.00 0.00 C ATOM 1355 CE1 PHE A 99 0.499 26.973 -11.422 1.00 0.00 C ATOM 1356 CE2 PHE A 99 -1.277 27.947 -12.781 1.00 0.00 C ATOM 1357 CZ PHE A 99 -0.816 27.445 -11.551 1.00 0.00 C ATOM 0 H PHE A 99 2.823 29.651 -16.620 1.00 0.00 H new ATOM 0 HA PHE A 99 3.159 28.986 -13.807 1.00 0.00 H new ATOM 0 HB2 PHE A 99 1.317 27.686 -15.823 1.00 0.00 H new ATOM 0 HB3 PHE A 99 2.358 26.568 -14.963 1.00 0.00 H new ATOM 0 HD1 PHE A 99 2.377 26.667 -12.428 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.755 28.379 -14.832 1.00 0.00 H new ATOM 0 HE1 PHE A 99 0.844 26.575 -10.479 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -2.294 28.297 -12.876 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.479 27.423 -10.699 1.00 0.00 H new ATOM 1367 N VAL A 100 4.955 27.268 -14.514 1.00 0.00 N ATOM 1368 CA VAL A 100 6.162 26.512 -14.816 1.00 0.00 C ATOM 1369 C VAL A 100 6.075 25.206 -14.024 1.00 0.00 C ATOM 1370 O VAL A 100 5.369 25.114 -13.022 1.00 0.00 O ATOM 1371 CB VAL A 100 7.480 27.265 -14.592 1.00 0.00 C ATOM 1372 CG1 VAL A 100 7.657 28.383 -15.617 1.00 0.00 C ATOM 1373 CG2 VAL A 100 7.626 27.788 -13.169 1.00 0.00 C ATOM 0 H VAL A 100 4.687 27.194 -13.533 1.00 0.00 H new ATOM 0 HA VAL A 100 6.195 26.320 -15.888 1.00 0.00 H new ATOM 0 HB VAL A 100 8.282 26.541 -14.737 1.00 0.00 H new ATOM 0 HG11 VAL A 100 8.599 28.899 -15.434 1.00 0.00 H new ATOM 0 HG12 VAL A 100 7.665 27.958 -16.621 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.833 29.091 -15.529 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.577 28.312 -13.070 1.00 0.00 H new ATOM 0 HG22 VAL A 100 6.809 28.475 -12.948 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.597 26.953 -12.470 1.00 0.00 H new ATOM 1383 N GLY A 101 6.814 24.203 -14.486 1.00 0.00 N ATOM 1384 CA GLY A 101 6.836 22.866 -13.909 1.00 0.00 C ATOM 1385 C GLY A 101 7.551 22.725 -12.563 1.00 0.00 C ATOM 1386 O GLY A 101 8.449 23.498 -12.235 1.00 0.00 O ATOM 0 H GLY A 101 7.430 24.301 -15.293 1.00 0.00 H new ATOM 0 HA2 GLY A 101 5.807 22.528 -13.788 1.00 0.00 H new ATOM 0 HA3 GLY A 101 7.311 22.192 -14.622 1.00 0.00 H new ATOM 1390 N CYS A 102 7.113 21.715 -11.795 1.00 0.00 N ATOM 1391 CA CYS A 102 7.625 21.309 -10.489 1.00 0.00 C ATOM 1392 C CYS A 102 8.392 19.995 -10.703 1.00 0.00 C ATOM 1393 O CYS A 102 8.545 19.554 -11.843 1.00 0.00 O ATOM 1394 CB CYS A 102 6.456 21.128 -9.512 1.00 0.00 C ATOM 1395 SG CYS A 102 6.749 21.382 -7.734 1.00 0.00 S ATOM 0 H CYS A 102 6.338 21.124 -12.096 1.00 0.00 H new ATOM 0 HA CYS A 102 8.288 22.060 -10.060 1.00 0.00 H new ATOM 0 HB2 CYS A 102 5.663 21.811 -9.816 1.00 0.00 H new ATOM 0 HB3 CYS A 102 6.072 20.116 -9.642 1.00 0.00 H new ATOM 1400 N SER A 103 8.886 19.355 -9.635 1.00 0.00 N ATOM 1401 CA SER A 103 9.607 18.092 -9.771 1.00 0.00 C ATOM 1402 C SER A 103 8.664 17.006 -10.297 1.00 0.00 C ATOM 1403 O SER A 103 7.678 16.673 -9.643 1.00 0.00 O ATOM 1404 CB SER A 103 10.221 17.674 -8.436 1.00 0.00 C ATOM 1405 OG SER A 103 10.967 16.484 -8.587 1.00 0.00 O ATOM 0 H SER A 103 8.798 19.691 -8.676 1.00 0.00 H new ATOM 0 HA SER A 103 10.418 18.227 -10.486 1.00 0.00 H new ATOM 0 HB2 SER A 103 10.865 18.469 -8.060 1.00 0.00 H new ATOM 0 HB3 SER A 103 9.434 17.526 -7.697 1.00 0.00 H new ATOM 0 HG SER A 103 11.356 16.230 -7.724 1.00 0.00 H new ATOM 1411 N GLY A 104 8.980 16.473 -11.485 1.00 0.00 N ATOM 1412 CA GLY A 104 8.214 15.442 -12.171 1.00 0.00 C ATOM 1413 C GLY A 104 7.649 15.999 -13.476 1.00 0.00 C ATOM 1414 O GLY A 104 7.596 15.290 -14.481 1.00 0.00 O ATOM 0 H GLY A 104 9.807 16.763 -12.007 1.00 0.00 H new ATOM 0 HA2 GLY A 104 8.849 14.581 -12.378 1.00 0.00 H new ATOM 0 HA3 GLY A 104 7.402 15.093 -11.532 1.00 0.00 H new ATOM 1418 N THR A 105 7.241 17.274 -13.453 1.00 0.00 N ATOM 1419 CA THR A 105 6.662 17.990 -14.578 1.00 0.00 C ATOM 1420 C THR A 105 7.774 18.741 -15.314 1.00 0.00 C ATOM 1421 O THR A 105 8.589 19.415 -14.686 1.00 0.00 O ATOM 1422 CB THR A 105 5.593 18.950 -14.040 1.00 0.00 C ATOM 1423 OG1 THR A 105 4.538 18.207 -13.465 1.00 0.00 O ATOM 1424 CG2 THR A 105 5.023 19.868 -15.122 1.00 0.00 C ATOM 0 H THR A 105 7.311 17.850 -12.614 1.00 0.00 H new ATOM 0 HA THR A 105 6.192 17.305 -15.284 1.00 0.00 H new ATOM 0 HB THR A 105 6.077 19.581 -13.295 1.00 0.00 H new ATOM 0 HG1 THR A 105 4.129 18.726 -12.741 1.00 0.00 H new ATOM 0 HG21 THR A 105 4.272 20.525 -14.683 1.00 0.00 H new ATOM 0 HG22 THR A 105 5.826 20.469 -15.549 1.00 0.00 H new ATOM 0 HG23 THR A 105 4.565 19.265 -15.906 1.00 0.00 H new ATOM 1432 N ASN A 106 7.801 18.624 -16.648 1.00 0.00 N ATOM 1433 CA ASN A 106 8.795 19.264 -17.494 1.00 0.00 C ATOM 1434 C ASN A 106 8.196 19.510 -18.877 1.00 0.00 C ATOM 1435 O ASN A 106 7.782 18.512 -19.507 1.00 0.00 O ATOM 1436 CB ASN A 106 10.051 18.384 -17.570 1.00 0.00 C ATOM 1437 CG ASN A 106 11.143 19.025 -18.422 1.00 0.00 C ATOM 1438 OD1 ASN A 106 11.381 18.601 -19.551 1.00 0.00 O ATOM 1439 ND2 ASN A 106 11.812 20.046 -17.878 1.00 0.00 N ATOM 1440 OXT ASN A 106 8.214 20.684 -19.307 1.00 0.00 O ATOM 0 H ASN A 106 7.120 18.072 -17.169 1.00 0.00 H new ATOM 0 HA ASN A 106 9.086 20.226 -17.073 1.00 0.00 H new ATOM 0 HB2 ASN A 106 10.432 18.207 -16.564 1.00 0.00 H new ATOM 0 HB3 ASN A 106 9.789 17.412 -17.987 1.00 0.00 H new ATOM 0 HD21 ASN A 106 12.555 20.507 -18.404 1.00 0.00 H new ATOM 0 HD22 ASN A 106 11.580 20.364 -16.937 1.00 0.00 H new