USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=30 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 90 THR OG1 : rot -119:sc=0.000229 USER MOD Set 1.2: A 92 THR OG1 : rot 180:sc= 0.017 USER MOD Set 2.1: A 27 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 57 GLN : amide:sc= -4.09! C(o=-4.1!,f=-5.4!) USER MOD Set 3.1: A 28 GLN : amide:sc= -0.203 X(o=1.1,f=0.91) USER MOD Set 3.2: A 81 THR OG1 : rot 99:sc= 1.31 USER MOD Set 4.1: A 5 THR OG1 : rot -13:sc= 0.124 USER MOD Set 4.2: A 10 ASN : amide:sc= -0.04 X(o=0.084,f=0.15) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 161:sc= -0.9 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 -30:sc= 0.0905 USER MOD Single : A 12 SER OG : rot 180:sc= 0.00749 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.191 X(o=-0.19,f=-0.04) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.244 K(o=-0.24,f=-0.96) USER MOD Single : A 32 THR OG1 : rot 54:sc= 0.174 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -47:sc= 0.465 USER MOD Single : A 38 TYR OH : rot 30:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -0.984 X(o=-0.98,f=-0.76) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 130:sc= -0.0063 USER MOD Single : A 43 ASN : amide:sc= -0.054 K(o=-0.054,f=-0.67) USER MOD Single : A 44 ASN : amide:sc= -0.172 K(o=-0.17,f=-2.6) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot -22:sc= 0.215 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 170:sc= -0.0248 USER MOD Single : A 71 SER OG : rot 180:sc= -0.0124 USER MOD Single : A 80 ASN : amide:sc= -0.115 K(o=-0.11,f=-0.81) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 TYR OH : rot 158:sc= 0.741 USER MOD Single : A 91 HIS : no HD1:sc= -1.52 X(o=-1.5,f=-1.7) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 98 ASN : amide:sc= 0.4 X(o=0.4,f=0) USER MOD Single : A 103 SER OG : rot -91:sc= 0.411 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 15 N SER A 2 5.152 12.427 -5.878 1.00 0.00 N ATOM 16 CA SER A 2 6.588 12.645 -5.944 1.00 0.00 C ATOM 17 C SER A 2 6.895 14.011 -5.332 1.00 0.00 C ATOM 18 O SER A 2 6.066 14.915 -5.417 1.00 0.00 O ATOM 19 CB SER A 2 7.051 12.582 -7.408 1.00 0.00 C ATOM 20 OG SER A 2 8.455 12.708 -7.490 1.00 0.00 O ATOM 0 HA SER A 2 7.121 11.874 -5.388 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.738 11.638 -7.854 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.575 13.378 -7.980 1.00 0.00 H new ATOM 0 HG SER A 2 8.733 12.664 -8.429 1.00 0.00 H new ATOM 26 N ALA A 3 8.077 14.147 -4.711 1.00 0.00 N ATOM 27 CA ALA A 3 8.552 15.375 -4.086 1.00 0.00 C ATOM 28 C ALA A 3 8.395 16.556 -5.041 1.00 0.00 C ATOM 29 O ALA A 3 8.705 16.433 -6.227 1.00 0.00 O ATOM 30 CB ALA A 3 10.023 15.213 -3.692 1.00 0.00 C ATOM 0 H ALA A 3 8.743 13.378 -4.632 1.00 0.00 H new ATOM 0 HA ALA A 3 7.957 15.571 -3.194 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.378 16.132 -3.225 1.00 0.00 H new ATOM 0 HB2 ALA A 3 10.122 14.386 -2.989 1.00 0.00 H new ATOM 0 HB3 ALA A 3 10.617 15.006 -4.582 1.00 0.00 H new ATOM 36 N THR A 4 7.920 17.693 -4.519 1.00 0.00 N ATOM 37 CA THR A 4 7.694 18.899 -5.304 1.00 0.00 C ATOM 38 C THR A 4 8.678 19.967 -4.865 1.00 0.00 C ATOM 39 O THR A 4 8.669 20.386 -3.710 1.00 0.00 O ATOM 40 CB THR A 4 6.250 19.411 -5.156 1.00 0.00 C ATOM 41 OG1 THR A 4 5.823 19.264 -3.827 1.00 0.00 O ATOM 42 CG2 THR A 4 5.258 18.698 -6.076 1.00 0.00 C ATOM 0 H THR A 4 7.682 17.796 -3.533 1.00 0.00 H new ATOM 0 HA THR A 4 7.847 18.661 -6.357 1.00 0.00 H new ATOM 0 HB THR A 4 6.267 20.462 -5.446 1.00 0.00 H new ATOM 0 HG1 THR A 4 5.053 19.848 -3.664 1.00 0.00 H new ATOM 0 HG21 THR A 4 4.260 19.107 -5.921 1.00 0.00 H new ATOM 0 HG22 THR A 4 5.554 18.846 -7.115 1.00 0.00 H new ATOM 0 HG23 THR A 4 5.253 17.632 -5.849 1.00 0.00 H new ATOM 50 N THR A 5 9.539 20.389 -5.793 1.00 0.00 N ATOM 51 CA THR A 5 10.512 21.412 -5.627 1.00 0.00 C ATOM 52 C THR A 5 10.017 22.426 -6.660 1.00 0.00 C ATOM 53 O THR A 5 10.331 22.333 -7.845 1.00 0.00 O ATOM 54 CB THR A 5 11.875 20.776 -5.906 1.00 0.00 C ATOM 55 OG1 THR A 5 12.328 20.087 -4.760 1.00 0.00 O ATOM 56 CG2 THR A 5 12.847 21.872 -6.267 1.00 0.00 C ATOM 0 H THR A 5 9.557 19.986 -6.730 1.00 0.00 H new ATOM 0 HA THR A 5 10.629 21.885 -4.652 1.00 0.00 H new ATOM 0 HB THR A 5 11.794 20.064 -6.727 1.00 0.00 H new ATOM 0 HG1 THR A 5 11.778 20.338 -3.989 1.00 0.00 H new ATOM 0 HG21 THR A 5 13.826 21.438 -6.470 1.00 0.00 H new ATOM 0 HG22 THR A 5 12.492 22.396 -7.154 1.00 0.00 H new ATOM 0 HG23 THR A 5 12.927 22.575 -5.438 1.00 0.00 H new ATOM 64 N CYS A 6 9.214 23.389 -6.194 1.00 0.00 N ATOM 65 CA CYS A 6 8.639 24.427 -7.032 1.00 0.00 C ATOM 66 C CYS A 6 9.554 25.643 -6.943 1.00 0.00 C ATOM 67 O CYS A 6 9.216 26.650 -6.321 1.00 0.00 O ATOM 68 CB CYS A 6 7.200 24.718 -6.586 1.00 0.00 C ATOM 69 SG CYS A 6 5.920 23.506 -7.050 1.00 0.00 S ATOM 0 H CYS A 6 8.947 23.463 -5.212 1.00 0.00 H new ATOM 0 HA CYS A 6 8.573 24.119 -8.076 1.00 0.00 H new ATOM 0 HB2 CYS A 6 7.196 24.814 -5.500 1.00 0.00 H new ATOM 0 HB3 CYS A 6 6.910 25.687 -6.992 1.00 0.00 H new ATOM 74 N GLY A 7 10.731 25.523 -7.573 1.00 0.00 N ATOM 75 CA GLY A 7 11.755 26.551 -7.601 1.00 0.00 C ATOM 76 C GLY A 7 12.517 26.549 -6.279 1.00 0.00 C ATOM 77 O GLY A 7 13.617 26.005 -6.200 1.00 0.00 O ATOM 0 H GLY A 7 10.994 24.683 -8.088 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.442 26.372 -8.429 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.300 27.527 -7.769 1.00 0.00 H new ATOM 81 N SER A 8 11.913 27.158 -5.249 1.00 0.00 N ATOM 82 CA SER A 8 12.459 27.262 -3.905 1.00 0.00 C ATOM 83 C SER A 8 11.501 26.671 -2.867 1.00 0.00 C ATOM 84 O SER A 8 11.965 26.086 -1.889 1.00 0.00 O ATOM 85 CB SER A 8 12.785 28.728 -3.602 1.00 0.00 C ATOM 86 OG SER A 8 13.384 28.846 -2.330 1.00 0.00 O ATOM 0 H SER A 8 11.000 27.604 -5.341 1.00 0.00 H new ATOM 0 HA SER A 8 13.379 26.679 -3.849 1.00 0.00 H new ATOM 0 HB2 SER A 8 13.456 29.123 -4.365 1.00 0.00 H new ATOM 0 HB3 SER A 8 11.874 29.325 -3.639 1.00 0.00 H new ATOM 0 HG SER A 8 13.588 29.788 -2.151 1.00 0.00 H new ATOM 92 N THR A 9 10.181 26.817 -3.064 1.00 0.00 N ATOM 93 CA THR A 9 9.180 26.292 -2.140 1.00 0.00 C ATOM 94 C THR A 9 9.142 24.770 -2.300 1.00 0.00 C ATOM 95 O THR A 9 8.525 24.252 -3.230 1.00 0.00 O ATOM 96 CB THR A 9 7.808 26.949 -2.398 1.00 0.00 C ATOM 97 OG1 THR A 9 7.972 28.339 -2.588 1.00 0.00 O ATOM 98 CG2 THR A 9 6.838 26.739 -1.225 1.00 0.00 C ATOM 0 H THR A 9 9.785 27.302 -3.869 1.00 0.00 H new ATOM 0 HA THR A 9 9.440 26.530 -1.109 1.00 0.00 H new ATOM 0 HB THR A 9 7.390 26.478 -3.288 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.099 28.752 -2.753 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.885 27.218 -1.450 1.00 0.00 H new ATOM 0 HG22 THR A 9 6.680 25.672 -1.070 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.260 27.178 -0.321 1.00 0.00 H new ATOM 106 N ASN A 10 9.821 24.064 -1.388 1.00 0.00 N ATOM 107 CA ASN A 10 9.918 22.614 -1.382 1.00 0.00 C ATOM 108 C ASN A 10 8.868 22.004 -0.456 1.00 0.00 C ATOM 109 O ASN A 10 8.484 22.604 0.549 1.00 0.00 O ATOM 110 CB ASN A 10 11.333 22.200 -0.954 1.00 0.00 C ATOM 111 CG ASN A 10 11.473 20.683 -0.818 1.00 0.00 C ATOM 112 OD1 ASN A 10 11.562 19.975 -1.817 1.00 0.00 O ATOM 113 ND2 ASN A 10 11.483 20.179 0.420 1.00 0.00 N ATOM 0 H ASN A 10 10.327 24.503 -0.619 1.00 0.00 H new ATOM 0 HA ASN A 10 9.727 22.239 -2.387 1.00 0.00 H new ATOM 0 HB2 ASN A 10 12.054 22.566 -1.685 1.00 0.00 H new ATOM 0 HB3 ASN A 10 11.576 22.673 -0.002 1.00 0.00 H new ATOM 0 HD21 ASN A 10 11.567 19.172 0.560 1.00 0.00 H new ATOM 0 HD22 ASN A 10 11.407 20.801 1.225 1.00 0.00 H new ATOM 120 N TYR A 11 8.409 20.805 -0.826 1.00 0.00 N ATOM 121 CA TYR A 11 7.436 20.025 -0.079 1.00 0.00 C ATOM 122 C TYR A 11 7.813 18.548 -0.210 1.00 0.00 C ATOM 123 O TYR A 11 8.266 18.113 -1.273 1.00 0.00 O ATOM 124 CB TYR A 11 6.004 20.218 -0.592 1.00 0.00 C ATOM 125 CG TYR A 11 5.578 21.594 -1.069 1.00 0.00 C ATOM 126 CD1 TYR A 11 5.961 22.047 -2.346 1.00 0.00 C ATOM 127 CD2 TYR A 11 4.789 22.421 -0.250 1.00 0.00 C ATOM 128 CE1 TYR A 11 5.555 23.308 -2.808 1.00 0.00 C ATOM 129 CE2 TYR A 11 4.388 23.686 -0.713 1.00 0.00 C ATOM 130 CZ TYR A 11 4.759 24.123 -1.993 1.00 0.00 C ATOM 131 OH TYR A 11 4.354 25.345 -2.435 1.00 0.00 O ATOM 0 H TYR A 11 8.718 20.342 -1.681 1.00 0.00 H new ATOM 0 HA TYR A 11 7.456 20.361 0.958 1.00 0.00 H new ATOM 0 HB2 TYR A 11 5.852 19.521 -1.416 1.00 0.00 H new ATOM 0 HB3 TYR A 11 5.324 19.920 0.207 1.00 0.00 H new ATOM 0 HD1 TYR A 11 6.573 21.418 -2.976 1.00 0.00 H new ATOM 0 HD2 TYR A 11 4.492 22.085 0.732 1.00 0.00 H new ATOM 0 HE1 TYR A 11 5.855 23.649 -3.788 1.00 0.00 H new ATOM 0 HE2 TYR A 11 3.791 24.325 -0.080 1.00 0.00 H new ATOM 0 HH TYR A 11 5.025 25.709 -3.050 1.00 0.00 H new ATOM 141 N SER A 12 7.609 17.780 0.870 1.00 0.00 N ATOM 142 CA SER A 12 7.898 16.356 0.915 1.00 0.00 C ATOM 143 C SER A 12 6.919 15.644 0.015 1.00 0.00 C ATOM 144 O SER A 12 5.800 16.123 -0.166 1.00 0.00 O ATOM 145 CB SER A 12 7.757 15.834 2.349 1.00 0.00 C ATOM 146 OG SER A 12 8.112 14.470 2.412 1.00 0.00 O ATOM 0 H SER A 12 7.233 18.145 1.745 1.00 0.00 H new ATOM 0 HA SER A 12 8.919 16.175 0.580 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.393 16.413 3.018 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.731 15.966 2.692 1.00 0.00 H new ATOM 0 HG SER A 12 8.019 14.150 3.334 1.00 0.00 H new ATOM 152 N ALA A 13 7.358 14.508 -0.545 1.00 0.00 N ATOM 153 CA ALA A 13 6.519 13.667 -1.380 1.00 0.00 C ATOM 154 C ALA A 13 5.258 13.320 -0.574 1.00 0.00 C ATOM 155 O ALA A 13 4.229 12.977 -1.153 1.00 0.00 O ATOM 156 CB ALA A 13 7.286 12.399 -1.762 1.00 0.00 C ATOM 0 H ALA A 13 8.307 14.155 -0.426 1.00 0.00 H new ATOM 0 HA ALA A 13 6.240 14.181 -2.300 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.656 11.768 -2.389 1.00 0.00 H new ATOM 0 HB2 ALA A 13 8.188 12.671 -2.311 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.561 11.854 -0.859 1.00 0.00 H new ATOM 162 N SER A 14 5.356 13.432 0.764 1.00 0.00 N ATOM 163 CA SER A 14 4.271 13.171 1.689 1.00 0.00 C ATOM 164 C SER A 14 3.222 14.283 1.577 1.00 0.00 C ATOM 165 O SER A 14 2.033 13.976 1.537 1.00 0.00 O ATOM 166 CB SER A 14 4.816 13.054 3.116 1.00 0.00 C ATOM 167 OG SER A 14 3.761 12.733 3.996 1.00 0.00 O ATOM 0 H SER A 14 6.219 13.714 1.229 1.00 0.00 H new ATOM 0 HA SER A 14 3.792 12.225 1.438 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.588 12.286 3.160 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.283 13.992 3.417 1.00 0.00 H new ATOM 0 HG SER A 14 4.109 12.656 4.909 1.00 0.00 H new ATOM 173 N GLN A 15 3.639 15.561 1.523 1.00 0.00 N ATOM 174 CA GLN A 15 2.712 16.682 1.401 1.00 0.00 C ATOM 175 C GLN A 15 1.955 16.677 0.074 1.00 0.00 C ATOM 176 O GLN A 15 0.770 17.005 0.045 1.00 0.00 O ATOM 177 CB GLN A 15 3.414 18.026 1.639 1.00 0.00 C ATOM 178 CG GLN A 15 3.566 18.335 3.131 1.00 0.00 C ATOM 179 CD GLN A 15 4.716 17.591 3.798 1.00 0.00 C ATOM 180 OE1 GLN A 15 4.533 16.490 4.312 1.00 0.00 O ATOM 181 NE2 GLN A 15 5.903 18.202 3.801 1.00 0.00 N ATOM 0 H GLN A 15 4.620 15.836 1.563 1.00 0.00 H new ATOM 0 HA GLN A 15 1.968 16.552 2.187 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.398 18.010 1.170 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.845 18.823 1.159 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.717 19.407 3.257 1.00 0.00 H new ATOM 0 HG3 GLN A 15 2.637 18.082 3.642 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.007 19.116 3.361 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.706 17.754 4.243 1.00 0.00 H new ATOM 190 N VAL A 16 2.637 16.319 -1.018 1.00 0.00 N ATOM 191 CA VAL A 16 2.055 16.245 -2.349 1.00 0.00 C ATOM 192 C VAL A 16 0.962 15.169 -2.316 1.00 0.00 C ATOM 193 O VAL A 16 -0.181 15.434 -2.679 1.00 0.00 O ATOM 194 CB VAL A 16 3.153 15.942 -3.394 1.00 0.00 C ATOM 195 CG1 VAL A 16 2.770 16.390 -4.804 1.00 0.00 C ATOM 196 CG2 VAL A 16 4.472 16.647 -3.068 1.00 0.00 C ATOM 0 H VAL A 16 3.626 16.069 -0.995 1.00 0.00 H new ATOM 0 HA VAL A 16 1.608 17.195 -2.641 1.00 0.00 H new ATOM 0 HB VAL A 16 3.266 14.859 -3.356 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.579 16.151 -5.494 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.863 15.873 -5.116 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.595 17.466 -4.809 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.213 16.404 -3.830 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.313 17.725 -3.047 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.831 16.315 -2.094 1.00 0.00 H new ATOM 206 N ARG A 17 1.321 13.960 -1.857 1.00 0.00 N ATOM 207 CA ARG A 17 0.435 12.810 -1.765 1.00 0.00 C ATOM 208 C ARG A 17 -0.783 13.147 -0.907 1.00 0.00 C ATOM 209 O ARG A 17 -1.905 12.820 -1.283 1.00 0.00 O ATOM 210 CB ARG A 17 1.208 11.630 -1.170 1.00 0.00 C ATOM 211 CG ARG A 17 0.411 10.328 -1.296 1.00 0.00 C ATOM 212 CD ARG A 17 1.078 9.206 -0.500 1.00 0.00 C ATOM 213 NE ARG A 17 0.946 9.428 0.947 1.00 0.00 N ATOM 214 CZ ARG A 17 1.176 8.501 1.891 1.00 0.00 C ATOM 215 NH1 ARG A 17 1.558 7.257 1.565 1.00 0.00 N ATOM 216 NH2 ARG A 17 1.018 8.828 3.181 1.00 0.00 N ATOM 0 H ARG A 17 2.267 13.759 -1.532 1.00 0.00 H new ATOM 0 HA ARG A 17 0.080 12.540 -2.760 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.166 11.524 -1.680 1.00 0.00 H new ATOM 0 HB3 ARG A 17 1.426 11.826 -0.120 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.606 10.482 -0.935 1.00 0.00 H new ATOM 0 HG3 ARG A 17 0.337 10.042 -2.345 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.627 8.250 -0.766 1.00 0.00 H new ATOM 0 HD3 ARG A 17 2.133 9.146 -0.766 1.00 0.00 H new ATOM 0 HE ARG A 17 0.658 10.356 1.257 1.00 0.00 H new ATOM 0 HH11 ARG A 17 1.679 7.001 0.585 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.728 6.567 2.297 1.00 0.00 H new ATOM 0 HH21 ARG A 17 0.726 9.772 3.436 1.00 0.00 H new ATOM 0 HH22 ARG A 17 1.189 8.133 3.908 1.00 0.00 H new ATOM 230 N ALA A 18 -0.550 13.808 0.234 1.00 0.00 N ATOM 231 CA ALA A 18 -1.596 14.194 1.171 1.00 0.00 C ATOM 232 C ALA A 18 -2.573 15.153 0.499 1.00 0.00 C ATOM 233 O ALA A 18 -3.785 14.985 0.627 1.00 0.00 O ATOM 234 CB ALA A 18 -0.982 14.826 2.423 1.00 0.00 C ATOM 0 H ALA A 18 0.384 14.090 0.530 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.145 13.303 1.476 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.776 15.109 3.114 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.320 14.107 2.906 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.413 15.712 2.142 1.00 0.00 H new ATOM 240 N ALA A 19 -2.039 16.146 -0.227 1.00 0.00 N ATOM 241 CA ALA A 19 -2.831 17.132 -0.943 1.00 0.00 C ATOM 242 C ALA A 19 -3.759 16.444 -1.944 1.00 0.00 C ATOM 243 O ALA A 19 -4.868 16.925 -2.169 1.00 0.00 O ATOM 244 CB ALA A 19 -1.923 18.174 -1.611 1.00 0.00 C ATOM 0 H ALA A 19 -1.033 16.280 -0.329 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.461 17.667 -0.232 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.535 18.903 -2.142 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.331 18.682 -0.850 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.257 17.677 -2.316 1.00 0.00 H new ATOM 250 N ALA A 20 -3.309 15.326 -2.536 1.00 0.00 N ATOM 251 CA ALA A 20 -4.104 14.564 -3.487 1.00 0.00 C ATOM 252 C ALA A 20 -5.119 13.626 -2.862 1.00 0.00 C ATOM 253 O ALA A 20 -6.213 13.521 -3.406 1.00 0.00 O ATOM 254 CB ALA A 20 -3.235 13.873 -4.531 1.00 0.00 C ATOM 0 H ALA A 20 -2.384 14.933 -2.363 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.711 15.308 -4.003 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.869 13.316 -5.221 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.667 14.621 -5.084 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.547 13.188 -4.036 1.00 0.00 H new ATOM 260 N ASN A 21 -4.800 12.934 -1.762 1.00 0.00 N ATOM 261 CA ASN A 21 -5.787 12.071 -1.116 1.00 0.00 C ATOM 262 C ASN A 21 -6.955 12.948 -0.636 1.00 0.00 C ATOM 263 O ASN A 21 -8.095 12.488 -0.522 1.00 0.00 O ATOM 264 CB ASN A 21 -5.173 11.370 0.102 1.00 0.00 C ATOM 265 CG ASN A 21 -4.019 10.435 -0.241 1.00 0.00 C ATOM 266 OD1 ASN A 21 -2.929 10.578 0.306 1.00 0.00 O ATOM 267 ND2 ASN A 21 -4.252 9.468 -1.132 1.00 0.00 N ATOM 0 H ASN A 21 -3.886 12.955 -1.311 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.125 11.318 -1.827 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.820 12.125 0.804 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.950 10.800 0.611 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -3.510 8.814 -1.381 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.172 9.383 -1.564 1.00 0.00 H new ATOM 274 N ALA A 22 -6.652 14.232 -0.384 1.00 0.00 N ATOM 275 CA ALA A 22 -7.595 15.206 0.124 1.00 0.00 C ATOM 276 C ALA A 22 -8.469 15.635 -1.038 1.00 0.00 C ATOM 277 O ALA A 22 -9.668 15.382 -1.018 1.00 0.00 O ATOM 278 CB ALA A 22 -6.833 16.373 0.743 1.00 0.00 C ATOM 0 H ALA A 22 -5.720 14.617 -0.536 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.228 14.792 0.909 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.541 17.108 1.126 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.210 16.009 1.560 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.202 16.838 -0.014 1.00 0.00 H new ATOM 284 N ALA A 23 -7.857 16.280 -2.037 1.00 0.00 N ATOM 285 CA ALA A 23 -8.529 16.729 -3.247 1.00 0.00 C ATOM 286 C ALA A 23 -9.364 15.602 -3.874 1.00 0.00 C ATOM 287 O ALA A 23 -10.414 15.870 -4.446 1.00 0.00 O ATOM 288 CB ALA A 23 -7.478 17.246 -4.227 1.00 0.00 C ATOM 0 H ALA A 23 -6.862 16.506 -2.021 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.222 17.533 -2.998 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.968 17.586 -5.140 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.936 18.077 -3.775 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -6.779 16.445 -4.467 1.00 0.00 H new ATOM 294 N CYS A 24 -8.905 14.347 -3.760 1.00 0.00 N ATOM 295 CA CYS A 24 -9.574 13.156 -4.268 1.00 0.00 C ATOM 296 C CYS A 24 -10.927 12.988 -3.590 1.00 0.00 C ATOM 297 O CYS A 24 -11.959 13.020 -4.260 1.00 0.00 O ATOM 298 CB CYS A 24 -8.672 11.932 -4.036 1.00 0.00 C ATOM 299 SG CYS A 24 -9.459 10.296 -4.018 1.00 0.00 S ATOM 0 H CYS A 24 -8.024 14.133 -3.293 1.00 0.00 H new ATOM 0 HA CYS A 24 -9.752 13.257 -5.339 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -7.906 11.928 -4.812 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -8.160 12.068 -3.084 1.00 0.00 H new ATOM 304 N GLN A 25 -10.918 12.822 -2.262 1.00 0.00 N ATOM 305 CA GLN A 25 -12.138 12.624 -1.491 1.00 0.00 C ATOM 306 C GLN A 25 -13.066 13.846 -1.496 1.00 0.00 C ATOM 307 O GLN A 25 -14.279 13.703 -1.645 1.00 0.00 O ATOM 308 CB GLN A 25 -11.735 12.255 -0.056 1.00 0.00 C ATOM 309 CG GLN A 25 -12.949 11.961 0.833 1.00 0.00 C ATOM 310 CD GLN A 25 -12.547 11.618 2.263 1.00 0.00 C ATOM 311 OE1 GLN A 25 -12.881 12.345 3.195 1.00 0.00 O ATOM 312 NE2 GLN A 25 -11.834 10.503 2.442 1.00 0.00 N ATOM 0 H GLN A 25 -10.067 12.822 -1.700 1.00 0.00 H new ATOM 0 HA GLN A 25 -12.712 11.823 -1.957 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -11.083 11.381 -0.077 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -11.159 13.072 0.378 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -13.609 12.828 0.841 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -13.516 11.133 0.408 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -11.578 9.927 1.640 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -11.546 10.227 3.381 1.00 0.00 H new ATOM 321 N TYR A 26 -12.488 15.040 -1.353 1.00 0.00 N ATOM 322 CA TYR A 26 -13.191 16.309 -1.266 1.00 0.00 C ATOM 323 C TYR A 26 -13.809 16.759 -2.584 1.00 0.00 C ATOM 324 O TYR A 26 -14.985 17.125 -2.591 1.00 0.00 O ATOM 325 CB TYR A 26 -12.247 17.369 -0.687 1.00 0.00 C ATOM 326 CG TYR A 26 -11.577 17.033 0.642 1.00 0.00 C ATOM 327 CD1 TYR A 26 -12.058 16.008 1.485 1.00 0.00 C ATOM 328 CD2 TYR A 26 -10.444 17.766 1.037 1.00 0.00 C ATOM 329 CE1 TYR A 26 -11.421 15.730 2.706 1.00 0.00 C ATOM 330 CE2 TYR A 26 -9.812 17.495 2.262 1.00 0.00 C ATOM 331 CZ TYR A 26 -10.298 16.476 3.097 1.00 0.00 C ATOM 332 OH TYR A 26 -9.673 16.209 4.280 1.00 0.00 O ATOM 0 H TYR A 26 -11.475 15.147 -1.293 1.00 0.00 H new ATOM 0 HA TYR A 26 -14.040 16.170 -0.597 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -11.467 17.568 -1.421 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -12.810 18.294 -0.561 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -12.923 15.433 1.189 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -10.057 18.543 0.394 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -11.795 14.943 3.344 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -8.950 18.072 2.562 1.00 0.00 H new ATOM 0 HH TYR A 26 -8.914 16.818 4.394 1.00 0.00 H new ATOM 342 N TYR A 27 -13.047 16.735 -3.690 1.00 0.00 N ATOM 343 CA TYR A 27 -13.590 17.159 -4.980 1.00 0.00 C ATOM 344 C TYR A 27 -14.760 16.247 -5.389 1.00 0.00 C ATOM 345 O TYR A 27 -15.719 16.724 -5.995 1.00 0.00 O ATOM 346 CB TYR A 27 -12.537 17.306 -6.109 1.00 0.00 C ATOM 347 CG TYR A 27 -13.237 17.622 -7.422 1.00 0.00 C ATOM 348 CD1 TYR A 27 -14.042 18.777 -7.514 1.00 0.00 C ATOM 349 CD2 TYR A 27 -13.114 16.766 -8.539 1.00 0.00 C ATOM 350 CE1 TYR A 27 -14.734 19.072 -8.698 1.00 0.00 C ATOM 351 CE2 TYR A 27 -13.825 17.058 -9.718 1.00 0.00 C ATOM 352 CZ TYR A 27 -14.642 18.202 -9.795 1.00 0.00 C ATOM 353 OH TYR A 27 -15.329 18.476 -10.940 1.00 0.00 O ATOM 0 H TYR A 27 -12.073 16.432 -3.713 1.00 0.00 H new ATOM 0 HA TYR A 27 -13.963 18.173 -4.836 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -11.832 18.099 -5.861 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -11.961 16.386 -6.205 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -14.126 19.440 -6.665 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -12.479 15.894 -8.489 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -15.336 19.966 -8.765 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -13.743 16.400 -10.570 1.00 0.00 H new ATOM 0 HH TYR A 27 -15.155 17.774 -11.602 1.00 0.00 H new ATOM 363 N GLN A 28 -14.695 14.948 -5.052 1.00 0.00 N ATOM 364 CA GLN A 28 -15.745 13.986 -5.364 1.00 0.00 C ATOM 365 C GLN A 28 -17.100 14.387 -4.773 1.00 0.00 C ATOM 366 O GLN A 28 -18.117 14.115 -5.405 1.00 0.00 O ATOM 367 CB GLN A 28 -15.352 12.573 -4.897 1.00 0.00 C ATOM 368 CG GLN A 28 -14.898 11.700 -6.071 1.00 0.00 C ATOM 369 CD GLN A 28 -16.039 11.442 -7.059 1.00 0.00 C ATOM 370 OE1 GLN A 28 -17.063 10.873 -6.688 1.00 0.00 O ATOM 371 NE2 GLN A 28 -15.871 11.868 -8.315 1.00 0.00 N ATOM 0 H GLN A 28 -13.904 14.541 -4.552 1.00 0.00 H new ATOM 0 HA GLN A 28 -15.854 13.982 -6.449 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -14.550 12.641 -4.162 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -16.201 12.104 -4.400 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -14.072 12.187 -6.589 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -14.522 10.749 -5.693 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -15.005 12.336 -8.583 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -16.608 11.725 -9.005 1.00 0.00 H new ATOM 380 N ASN A 29 -17.080 15.009 -3.582 1.00 0.00 N ATOM 381 CA ASN A 29 -18.193 15.528 -2.780 1.00 0.00 C ATOM 382 C ASN A 29 -18.205 14.882 -1.395 1.00 0.00 C ATOM 383 O ASN A 29 -19.051 14.036 -1.107 1.00 0.00 O ATOM 384 CB ASN A 29 -19.590 15.442 -3.431 1.00 0.00 C ATOM 385 CG ASN A 29 -19.796 16.389 -4.614 1.00 0.00 C ATOM 386 OD1 ASN A 29 -18.861 17.027 -5.091 1.00 0.00 O ATOM 387 ND2 ASN A 29 -21.043 16.484 -5.082 1.00 0.00 N ATOM 0 H ASN A 29 -16.190 15.176 -3.112 1.00 0.00 H new ATOM 0 HA ASN A 29 -17.995 16.597 -2.700 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -19.758 14.419 -3.767 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -20.344 15.657 -2.674 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -21.248 17.105 -5.865 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -21.791 15.936 -4.656 1.00 0.00 H new ATOM 394 N ASP A 30 -17.259 15.286 -0.539 1.00 0.00 N ATOM 395 CA ASP A 30 -17.146 14.797 0.829 1.00 0.00 C ATOM 396 C ASP A 30 -16.274 15.772 1.625 1.00 0.00 C ATOM 397 O ASP A 30 -15.246 15.374 2.168 1.00 0.00 O ATOM 398 CB ASP A 30 -16.618 13.352 0.843 1.00 0.00 C ATOM 399 CG ASP A 30 -16.608 12.713 2.233 1.00 0.00 C ATOM 400 OD1 ASP A 30 -17.388 13.174 3.094 1.00 0.00 O ATOM 401 OD2 ASP A 30 -15.819 11.759 2.409 1.00 0.00 O ATOM 0 H ASP A 30 -16.544 15.971 -0.786 1.00 0.00 H new ATOM 0 HA ASP A 30 -18.124 14.758 1.309 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -17.232 12.744 0.178 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -15.605 13.341 0.441 1.00 0.00 H new ATOM 406 N ASP A 31 -16.725 17.037 1.674 1.00 0.00 N ATOM 407 CA ASP A 31 -16.151 18.217 2.324 1.00 0.00 C ATOM 408 C ASP A 31 -15.970 19.326 1.287 1.00 0.00 C ATOM 409 O ASP A 31 -15.822 19.063 0.093 1.00 0.00 O ATOM 410 CB ASP A 31 -14.836 17.950 3.073 1.00 0.00 C ATOM 411 CG ASP A 31 -14.309 19.181 3.808 1.00 0.00 C ATOM 412 OD1 ASP A 31 -15.001 19.621 4.752 1.00 0.00 O ATOM 413 OD2 ASP A 31 -13.228 19.666 3.409 1.00 0.00 O ATOM 0 H ASP A 31 -17.598 17.279 1.205 1.00 0.00 H new ATOM 0 HA ASP A 31 -16.858 18.526 3.094 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -14.990 17.143 3.790 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -14.083 17.607 2.364 1.00 0.00 H new ATOM 418 N THR A 32 -15.973 20.569 1.777 1.00 0.00 N ATOM 419 CA THR A 32 -15.833 21.795 1.004 1.00 0.00 C ATOM 420 C THR A 32 -14.479 22.426 1.329 1.00 0.00 C ATOM 421 O THR A 32 -14.416 23.491 1.942 1.00 0.00 O ATOM 422 CB THR A 32 -17.012 22.736 1.318 1.00 0.00 C ATOM 423 OG1 THR A 32 -17.116 22.968 2.709 1.00 0.00 O ATOM 424 CG2 THR A 32 -18.337 22.155 0.812 1.00 0.00 C ATOM 0 H THR A 32 -16.079 20.751 2.775 1.00 0.00 H new ATOM 0 HA THR A 32 -15.861 21.590 -0.066 1.00 0.00 H new ATOM 0 HB THR A 32 -16.815 23.677 0.805 1.00 0.00 H new ATOM 0 HG1 THR A 32 -16.257 23.292 3.052 1.00 0.00 H new ATOM 0 HG21 THR A 32 -19.149 22.842 1.049 1.00 0.00 H new ATOM 0 HG22 THR A 32 -18.284 22.014 -0.268 1.00 0.00 H new ATOM 0 HG23 THR A 32 -18.521 21.195 1.295 1.00 0.00 H new ATOM 432 N ALA A 33 -13.391 21.759 0.919 1.00 0.00 N ATOM 433 CA ALA A 33 -12.034 22.238 1.144 1.00 0.00 C ATOM 434 C ALA A 33 -11.744 23.418 0.221 1.00 0.00 C ATOM 435 O ALA A 33 -11.322 23.244 -0.921 1.00 0.00 O ATOM 436 CB ALA A 33 -11.030 21.112 0.941 1.00 0.00 C ATOM 0 H ALA A 33 -13.435 20.870 0.421 1.00 0.00 H new ATOM 0 HA ALA A 33 -11.939 22.579 2.175 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -10.022 21.488 1.113 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -11.241 20.305 1.643 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -11.107 20.735 -0.079 1.00 0.00 H new ATOM 442 N GLY A 34 -11.970 24.624 0.750 1.00 0.00 N ATOM 443 CA GLY A 34 -11.787 25.887 0.059 1.00 0.00 C ATOM 444 C GLY A 34 -13.045 26.218 -0.740 1.00 0.00 C ATOM 445 O GLY A 34 -13.602 25.344 -1.404 1.00 0.00 O ATOM 0 H GLY A 34 -12.298 24.743 1.709 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.581 26.680 0.778 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.926 25.828 -0.607 1.00 0.00 H new ATOM 449 N SER A 35 -13.494 27.479 -0.663 1.00 0.00 N ATOM 450 CA SER A 35 -14.687 27.954 -1.350 1.00 0.00 C ATOM 451 C SER A 35 -14.431 29.319 -1.991 1.00 0.00 C ATOM 452 O SER A 35 -15.002 30.327 -1.580 1.00 0.00 O ATOM 453 CB SER A 35 -15.875 27.960 -0.378 1.00 0.00 C ATOM 454 OG SER A 35 -17.052 28.365 -1.044 1.00 0.00 O ATOM 0 H SER A 35 -13.028 28.201 -0.113 1.00 0.00 H new ATOM 0 HA SER A 35 -14.940 27.276 -2.165 1.00 0.00 H new ATOM 0 HB2 SER A 35 -16.013 26.965 0.045 1.00 0.00 H new ATOM 0 HB3 SER A 35 -15.670 28.634 0.454 1.00 0.00 H new ATOM 0 HG SER A 35 -17.802 28.363 -0.413 1.00 0.00 H new ATOM 460 N SER A 36 -13.555 29.325 -3.002 1.00 0.00 N ATOM 461 CA SER A 36 -13.176 30.486 -3.795 1.00 0.00 C ATOM 462 C SER A 36 -13.515 30.090 -5.231 1.00 0.00 C ATOM 463 O SER A 36 -14.526 30.532 -5.775 1.00 0.00 O ATOM 464 CB SER A 36 -11.693 30.823 -3.580 1.00 0.00 C ATOM 465 OG SER A 36 -11.484 31.240 -2.248 1.00 0.00 O ATOM 0 H SER A 36 -13.072 28.477 -3.299 1.00 0.00 H new ATOM 0 HA SER A 36 -13.703 31.399 -3.517 1.00 0.00 H new ATOM 0 HB2 SER A 36 -11.077 29.950 -3.798 1.00 0.00 H new ATOM 0 HB3 SER A 36 -11.386 31.610 -4.269 1.00 0.00 H new ATOM 0 HG SER A 36 -10.536 31.452 -2.116 1.00 0.00 H new ATOM 471 N THR A 37 -12.662 29.251 -5.833 1.00 0.00 N ATOM 472 CA THR A 37 -12.811 28.700 -7.171 1.00 0.00 C ATOM 473 C THR A 37 -11.933 27.446 -7.299 1.00 0.00 C ATOM 474 O THR A 37 -11.433 27.149 -8.377 1.00 0.00 O ATOM 475 CB THR A 37 -12.588 29.751 -8.277 1.00 0.00 C ATOM 476 OG1 THR A 37 -12.937 29.192 -9.528 1.00 0.00 O ATOM 477 CG2 THR A 37 -11.156 30.289 -8.334 1.00 0.00 C ATOM 0 H THR A 37 -11.812 28.928 -5.372 1.00 0.00 H new ATOM 0 HA THR A 37 -13.846 28.392 -7.322 1.00 0.00 H new ATOM 0 HB THR A 37 -13.226 30.602 -8.037 1.00 0.00 H new ATOM 0 HG1 THR A 37 -12.529 28.305 -9.615 1.00 0.00 H new ATOM 0 HG21 THR A 37 -11.075 31.023 -9.136 1.00 0.00 H new ATOM 0 HG22 THR A 37 -10.906 30.760 -7.383 1.00 0.00 H new ATOM 0 HG23 THR A 37 -10.466 29.467 -8.524 1.00 0.00 H new ATOM 485 N TYR A 38 -11.733 26.715 -6.191 1.00 0.00 N ATOM 486 CA TYR A 38 -10.951 25.486 -6.106 1.00 0.00 C ATOM 487 C TYR A 38 -11.595 24.638 -5.005 1.00 0.00 C ATOM 488 O TYR A 38 -11.901 25.176 -3.940 1.00 0.00 O ATOM 489 CB TYR A 38 -9.485 25.768 -5.716 1.00 0.00 C ATOM 490 CG TYR A 38 -8.734 26.815 -6.524 1.00 0.00 C ATOM 491 CD1 TYR A 38 -8.958 28.181 -6.266 1.00 0.00 C ATOM 492 CD2 TYR A 38 -7.808 26.439 -7.519 1.00 0.00 C ATOM 493 CE1 TYR A 38 -8.279 29.163 -7.004 1.00 0.00 C ATOM 494 CE2 TYR A 38 -7.135 27.423 -8.263 1.00 0.00 C ATOM 495 CZ TYR A 38 -7.377 28.785 -8.011 1.00 0.00 C ATOM 496 OH TYR A 38 -6.733 29.747 -8.733 1.00 0.00 O ATOM 0 H TYR A 38 -12.134 26.983 -5.292 1.00 0.00 H new ATOM 0 HA TYR A 38 -10.944 24.986 -7.075 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -9.468 26.074 -4.670 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -8.932 24.831 -5.783 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -9.656 28.475 -5.496 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -7.616 25.393 -7.709 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -8.450 30.209 -6.797 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -6.431 27.133 -9.029 1.00 0.00 H new ATOM 0 HH TYR A 38 -6.612 30.546 -8.179 1.00 0.00 H new ATOM 506 N PRO A 39 -11.814 23.334 -5.223 1.00 0.00 N ATOM 507 CA PRO A 39 -11.502 22.589 -6.433 1.00 0.00 C ATOM 508 C PRO A 39 -12.464 22.910 -7.584 1.00 0.00 C ATOM 509 O PRO A 39 -13.645 23.173 -7.364 1.00 0.00 O ATOM 510 CB PRO A 39 -11.599 21.121 -6.024 1.00 0.00 C ATOM 511 CG PRO A 39 -12.672 21.142 -4.935 1.00 0.00 C ATOM 512 CD PRO A 39 -12.402 22.463 -4.222 1.00 0.00 C ATOM 0 HA PRO A 39 -10.515 22.851 -6.814 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -11.886 20.486 -6.862 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -10.649 20.742 -5.648 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -13.677 21.107 -5.356 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -12.580 20.291 -4.260 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -13.323 22.889 -3.824 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -11.726 22.322 -3.379 1.00 0.00 H new ATOM 520 N HIS A 40 -11.932 22.892 -8.813 1.00 0.00 N ATOM 521 CA HIS A 40 -12.644 23.147 -10.062 1.00 0.00 C ATOM 522 C HIS A 40 -11.833 22.550 -11.212 1.00 0.00 C ATOM 523 O HIS A 40 -10.645 22.284 -11.044 1.00 0.00 O ATOM 524 CB HIS A 40 -12.838 24.652 -10.292 1.00 0.00 C ATOM 525 CG HIS A 40 -11.576 25.353 -10.734 1.00 0.00 C ATOM 526 ND1 HIS A 40 -11.527 26.178 -11.847 1.00 0.00 N ATOM 527 CD2 HIS A 40 -10.298 25.355 -10.229 1.00 0.00 C ATOM 528 CE1 HIS A 40 -10.263 26.623 -11.957 1.00 0.00 C ATOM 529 NE2 HIS A 40 -9.463 26.158 -10.997 1.00 0.00 N ATOM 0 H HIS A 40 -10.944 22.689 -8.966 1.00 0.00 H new ATOM 0 HA HIS A 40 -13.631 22.687 -10.010 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -13.612 24.801 -11.045 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -13.197 25.111 -9.371 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -9.985 24.806 -9.353 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -9.931 27.287 -12.741 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -8.470 26.347 -10.859 1.00 0.00 H new ATOM 537 N THR A 41 -12.461 22.354 -12.379 1.00 0.00 N ATOM 538 CA THR A 41 -11.808 21.773 -13.547 1.00 0.00 C ATOM 539 C THR A 41 -10.605 22.589 -14.026 1.00 0.00 C ATOM 540 O THR A 41 -10.562 23.807 -13.860 1.00 0.00 O ATOM 541 CB THR A 41 -12.823 21.494 -14.659 1.00 0.00 C ATOM 542 OG1 THR A 41 -12.240 20.655 -15.637 1.00 0.00 O ATOM 543 CG2 THR A 41 -13.282 22.793 -15.310 1.00 0.00 C ATOM 0 H THR A 41 -13.439 22.597 -12.534 1.00 0.00 H new ATOM 0 HA THR A 41 -11.392 20.813 -13.241 1.00 0.00 H new ATOM 0 HB THR A 41 -13.689 21.000 -14.220 1.00 0.00 H new ATOM 0 HG1 THR A 41 -12.892 20.477 -16.346 1.00 0.00 H new ATOM 0 HG21 THR A 41 -14.003 22.571 -16.097 1.00 0.00 H new ATOM 0 HG22 THR A 41 -13.749 23.431 -14.560 1.00 0.00 H new ATOM 0 HG23 THR A 41 -12.423 23.308 -15.740 1.00 0.00 H new ATOM 551 N TYR A 42 -9.635 21.883 -14.619 1.00 0.00 N ATOM 552 CA TYR A 42 -8.409 22.441 -15.164 1.00 0.00 C ATOM 553 C TYR A 42 -8.523 22.414 -16.686 1.00 0.00 C ATOM 554 O TYR A 42 -8.111 21.450 -17.328 1.00 0.00 O ATOM 555 CB TYR A 42 -7.211 21.637 -14.649 1.00 0.00 C ATOM 556 CG TYR A 42 -5.862 22.203 -15.054 1.00 0.00 C ATOM 557 CD1 TYR A 42 -5.496 23.496 -14.639 1.00 0.00 C ATOM 558 CD2 TYR A 42 -4.970 21.447 -15.837 1.00 0.00 C ATOM 559 CE1 TYR A 42 -4.245 24.030 -14.989 1.00 0.00 C ATOM 560 CE2 TYR A 42 -3.719 21.983 -16.192 1.00 0.00 C ATOM 561 CZ TYR A 42 -3.350 23.269 -15.760 1.00 0.00 C ATOM 562 OH TYR A 42 -2.131 23.780 -16.095 1.00 0.00 O ATOM 0 H TYR A 42 -9.692 20.871 -14.733 1.00 0.00 H new ATOM 0 HA TYR A 42 -8.257 23.472 -14.846 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -7.261 21.589 -13.561 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -7.289 20.614 -15.017 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -6.182 24.083 -14.047 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -5.246 20.456 -16.165 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -3.971 25.024 -14.666 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -3.039 21.404 -16.799 1.00 0.00 H new ATOM 0 HH TYR A 42 -1.432 23.129 -15.875 1.00 0.00 H new ATOM 572 N ASN A 43 -9.088 23.487 -17.251 1.00 0.00 N ATOM 573 CA ASN A 43 -9.311 23.650 -18.681 1.00 0.00 C ATOM 574 C ASN A 43 -7.970 23.800 -19.405 1.00 0.00 C ATOM 575 O ASN A 43 -7.375 24.878 -19.400 1.00 0.00 O ATOM 576 CB ASN A 43 -10.231 24.856 -18.936 1.00 0.00 C ATOM 577 CG ASN A 43 -11.409 24.913 -17.964 1.00 0.00 C ATOM 578 OD1 ASN A 43 -11.288 25.493 -16.886 1.00 0.00 O ATOM 579 ND2 ASN A 43 -12.547 24.316 -18.327 1.00 0.00 N ATOM 0 H ASN A 43 -9.410 24.286 -16.705 1.00 0.00 H new ATOM 0 HA ASN A 43 -9.807 22.763 -19.076 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -9.651 25.775 -18.852 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.609 24.810 -19.957 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -13.353 24.332 -17.702 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -12.610 23.844 -19.229 1.00 0.00 H new ATOM 586 N ASN A 44 -7.492 22.710 -20.020 1.00 0.00 N ATOM 587 CA ASN A 44 -6.238 22.684 -20.756 1.00 0.00 C ATOM 588 C ASN A 44 -6.312 23.569 -22.002 1.00 0.00 C ATOM 589 O ASN A 44 -5.597 24.567 -22.084 1.00 0.00 O ATOM 590 CB ASN A 44 -5.887 21.235 -21.120 1.00 0.00 C ATOM 591 CG ASN A 44 -4.726 21.155 -22.110 1.00 0.00 C ATOM 592 OD1 ASN A 44 -3.796 21.949 -22.037 1.00 0.00 O ATOM 593 ND2 ASN A 44 -4.780 20.204 -23.045 1.00 0.00 N ATOM 0 H ASN A 44 -7.978 21.813 -20.015 1.00 0.00 H new ATOM 0 HA ASN A 44 -5.447 23.087 -20.124 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -5.628 20.687 -20.214 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -6.762 20.747 -21.549 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -4.030 20.120 -23.731 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -5.571 19.561 -23.073 1.00 0.00 H new ATOM 600 N TYR A 45 -7.168 23.192 -22.963 1.00 0.00 N ATOM 601 CA TYR A 45 -7.350 23.898 -24.227 1.00 0.00 C ATOM 602 C TYR A 45 -5.990 23.940 -24.942 1.00 0.00 C ATOM 603 O TYR A 45 -5.486 25.013 -25.269 1.00 0.00 O ATOM 604 CB TYR A 45 -7.991 25.278 -23.969 1.00 0.00 C ATOM 605 CG TYR A 45 -8.850 25.869 -25.081 1.00 0.00 C ATOM 606 CD1 TYR A 45 -8.371 25.986 -26.403 1.00 0.00 C ATOM 607 CD2 TYR A 45 -10.150 26.324 -24.782 1.00 0.00 C ATOM 608 CE1 TYR A 45 -9.181 26.550 -27.405 1.00 0.00 C ATOM 609 CE2 TYR A 45 -10.960 26.886 -25.786 1.00 0.00 C ATOM 610 CZ TYR A 45 -10.473 27.006 -27.098 1.00 0.00 C ATOM 611 OH TYR A 45 -11.254 27.562 -28.069 1.00 0.00 O ATOM 0 H TYR A 45 -7.763 22.369 -22.875 1.00 0.00 H new ATOM 0 HA TYR A 45 -8.045 23.386 -24.892 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -8.606 25.202 -23.072 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.192 25.985 -23.748 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -7.377 25.641 -26.647 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -10.528 26.241 -23.774 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -8.808 26.633 -28.415 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -11.957 27.225 -25.548 1.00 0.00 H new ATOM 0 HH TYR A 45 -12.117 27.822 -27.685 1.00 0.00 H new ATOM 621 N GLU A 46 -5.393 22.754 -25.161 1.00 0.00 N ATOM 622 CA GLU A 46 -4.100 22.531 -25.813 1.00 0.00 C ATOM 623 C GLU A 46 -2.883 23.037 -25.014 1.00 0.00 C ATOM 624 O GLU A 46 -1.764 22.619 -25.300 1.00 0.00 O ATOM 625 CB GLU A 46 -4.124 23.074 -27.256 1.00 0.00 C ATOM 626 CG GLU A 46 -2.899 22.658 -28.094 1.00 0.00 C ATOM 627 CD GLU A 46 -2.921 23.240 -29.505 1.00 0.00 C ATOM 628 OE1 GLU A 46 -4.016 23.627 -29.963 1.00 0.00 O ATOM 629 OE2 GLU A 46 -1.829 23.291 -30.111 1.00 0.00 O ATOM 0 H GLU A 46 -5.829 21.879 -24.869 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.959 21.451 -25.849 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -5.029 22.723 -27.752 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.179 24.162 -27.225 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.991 22.982 -27.586 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.859 21.570 -28.155 1.00 0.00 H new ATOM 636 N GLY A 47 -3.071 23.912 -24.015 1.00 0.00 N ATOM 637 CA GLY A 47 -2.007 24.494 -23.206 1.00 0.00 C ATOM 638 C GLY A 47 -1.133 23.512 -22.419 1.00 0.00 C ATOM 639 O GLY A 47 -0.208 22.920 -22.974 1.00 0.00 O ATOM 0 H GLY A 47 -3.998 24.240 -23.745 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.360 25.077 -23.861 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.458 25.191 -22.500 1.00 0.00 H new ATOM 643 N PHE A 48 -1.421 23.347 -21.122 1.00 0.00 N ATOM 644 CA PHE A 48 -0.658 22.489 -20.223 1.00 0.00 C ATOM 645 C PHE A 48 -0.947 20.994 -20.363 1.00 0.00 C ATOM 646 O PHE A 48 -2.100 20.574 -20.413 1.00 0.00 O ATOM 647 CB PHE A 48 -0.863 22.950 -18.775 1.00 0.00 C ATOM 648 CG PHE A 48 0.438 23.292 -18.086 1.00 0.00 C ATOM 649 CD1 PHE A 48 0.981 24.582 -18.217 1.00 0.00 C ATOM 650 CD2 PHE A 48 1.114 22.321 -17.328 1.00 0.00 C ATOM 651 CE1 PHE A 48 2.196 24.902 -17.591 1.00 0.00 C ATOM 652 CE2 PHE A 48 2.329 22.642 -16.703 1.00 0.00 C ATOM 653 CZ PHE A 48 2.871 23.930 -16.836 1.00 0.00 C ATOM 0 H PHE A 48 -2.204 23.816 -20.666 1.00 0.00 H new ATOM 0 HA PHE A 48 0.387 22.599 -20.515 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.516 23.822 -18.764 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -1.371 22.164 -18.216 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.462 25.328 -18.800 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.699 21.329 -17.226 1.00 0.00 H new ATOM 0 HE1 PHE A 48 2.611 25.894 -17.690 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.848 21.897 -16.119 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.808 24.173 -16.357 1.00 0.00 H new ATOM 663 N ASP A 49 0.128 20.198 -20.408 1.00 0.00 N ATOM 664 CA ASP A 49 0.088 18.752 -20.552 1.00 0.00 C ATOM 665 C ASP A 49 0.515 18.063 -19.255 1.00 0.00 C ATOM 666 O ASP A 49 1.130 18.675 -18.383 1.00 0.00 O ATOM 667 CB ASP A 49 1.010 18.337 -21.705 1.00 0.00 C ATOM 668 CG ASP A 49 2.477 18.639 -21.396 1.00 0.00 C ATOM 669 OD1 ASP A 49 2.857 19.822 -21.529 1.00 0.00 O ATOM 670 OD2 ASP A 49 3.191 17.682 -21.024 1.00 0.00 O ATOM 0 H ASP A 49 1.078 20.563 -20.342 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.934 18.444 -20.772 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.892 17.271 -21.900 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.714 18.862 -22.614 1.00 0.00 H new ATOM 675 N PHE A 50 0.177 16.774 -19.159 1.00 0.00 N ATOM 676 CA PHE A 50 0.485 15.887 -18.049 1.00 0.00 C ATOM 677 C PHE A 50 0.517 14.460 -18.604 1.00 0.00 C ATOM 678 O PHE A 50 -0.149 14.184 -19.602 1.00 0.00 O ATOM 679 CB PHE A 50 -0.582 16.004 -16.945 1.00 0.00 C ATOM 680 CG PHE A 50 -0.569 17.278 -16.116 1.00 0.00 C ATOM 681 CD1 PHE A 50 0.613 17.722 -15.491 1.00 0.00 C ATOM 682 CD2 PHE A 50 -1.756 18.019 -15.957 1.00 0.00 C ATOM 683 CE1 PHE A 50 0.610 18.906 -14.732 1.00 0.00 C ATOM 684 CE2 PHE A 50 -1.759 19.190 -15.181 1.00 0.00 C ATOM 685 CZ PHE A 50 -0.576 19.640 -14.575 1.00 0.00 C ATOM 0 H PHE A 50 -0.347 16.302 -19.896 1.00 0.00 H new ATOM 0 HA PHE A 50 1.444 16.154 -17.605 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.564 15.910 -17.409 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.467 15.157 -16.269 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.524 17.151 -15.595 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.666 17.686 -16.433 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.523 19.251 -14.269 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.675 19.746 -15.050 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.578 20.548 -13.990 1.00 0.00 H new ATOM 695 N PRO A 51 1.275 13.538 -17.984 1.00 0.00 N ATOM 696 CA PRO A 51 1.359 12.155 -18.428 1.00 0.00 C ATOM 697 C PRO A 51 0.005 11.438 -18.337 1.00 0.00 C ATOM 698 O PRO A 51 -0.251 10.539 -19.136 1.00 0.00 O ATOM 699 CB PRO A 51 2.421 11.494 -17.546 1.00 0.00 C ATOM 700 CG PRO A 51 2.438 12.359 -16.286 1.00 0.00 C ATOM 701 CD PRO A 51 2.108 13.755 -16.812 1.00 0.00 C ATOM 0 HA PRO A 51 1.634 12.097 -19.481 1.00 0.00 H new ATOM 0 HB2 PRO A 51 2.164 10.460 -17.318 1.00 0.00 H new ATOM 0 HB3 PRO A 51 3.395 11.480 -18.035 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.703 12.020 -15.556 1.00 0.00 H new ATOM 0 HG3 PRO A 51 3.410 12.334 -15.794 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.583 14.344 -16.060 1.00 0.00 H new ATOM 0 HD3 PRO A 51 3.015 14.302 -17.070 1.00 0.00 H new ATOM 709 N VAL A 52 -0.853 11.834 -17.382 1.00 0.00 N ATOM 710 CA VAL A 52 -2.178 11.260 -17.186 1.00 0.00 C ATOM 711 C VAL A 52 -3.187 12.071 -18.014 1.00 0.00 C ATOM 712 O VAL A 52 -3.638 11.600 -19.057 1.00 0.00 O ATOM 713 CB VAL A 52 -2.533 11.199 -15.683 1.00 0.00 C ATOM 714 CG1 VAL A 52 -3.770 10.315 -15.475 1.00 0.00 C ATOM 715 CG2 VAL A 52 -1.388 10.623 -14.840 1.00 0.00 C ATOM 0 H VAL A 52 -0.633 12.576 -16.717 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.205 10.228 -17.536 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.724 12.223 -15.360 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.015 10.276 -14.414 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.612 10.732 -16.027 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.562 9.308 -15.837 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.684 10.600 -13.791 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.163 9.611 -15.176 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.502 11.248 -14.953 1.00 0.00 H new ATOM 725 N ASP A 53 -3.520 13.285 -17.548 1.00 0.00 N ATOM 726 CA ASP A 53 -4.431 14.260 -18.147 1.00 0.00 C ATOM 727 C ASP A 53 -5.845 13.741 -18.451 1.00 0.00 C ATOM 728 O ASP A 53 -6.040 12.996 -19.411 1.00 0.00 O ATOM 729 CB ASP A 53 -3.797 14.884 -19.398 1.00 0.00 C ATOM 730 CG ASP A 53 -4.515 16.171 -19.802 1.00 0.00 C ATOM 731 OD1 ASP A 53 -4.101 17.239 -19.299 1.00 0.00 O ATOM 732 OD2 ASP A 53 -5.471 16.068 -20.601 1.00 0.00 O ATOM 0 H ASP A 53 -3.126 13.633 -16.674 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.578 15.020 -17.380 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.745 15.097 -19.208 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.834 14.171 -20.221 1.00 0.00 H new ATOM 737 N GLY A 54 -6.833 14.146 -17.638 1.00 0.00 N ATOM 738 CA GLY A 54 -8.231 13.776 -17.814 1.00 0.00 C ATOM 739 C GLY A 54 -8.588 12.495 -17.053 1.00 0.00 C ATOM 740 O GLY A 54 -8.018 11.448 -17.354 1.00 0.00 O ATOM 0 H GLY A 54 -6.673 14.748 -16.831 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -8.867 14.591 -17.470 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.438 13.636 -18.875 1.00 0.00 H new ATOM 744 N PRO A 55 -9.510 12.541 -16.071 1.00 0.00 N ATOM 745 CA PRO A 55 -10.233 13.712 -15.574 1.00 0.00 C ATOM 746 C PRO A 55 -9.242 14.623 -14.846 1.00 0.00 C ATOM 747 O PRO A 55 -8.195 14.145 -14.419 1.00 0.00 O ATOM 748 CB PRO A 55 -11.303 13.153 -14.635 1.00 0.00 C ATOM 749 CG PRO A 55 -10.631 11.887 -14.101 1.00 0.00 C ATOM 750 CD PRO A 55 -9.902 11.360 -15.327 1.00 0.00 C ATOM 0 HA PRO A 55 -10.696 14.309 -16.359 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -11.549 13.852 -13.836 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -12.231 12.931 -15.161 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -9.944 12.106 -13.283 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -11.359 11.170 -13.722 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -9.033 10.766 -15.044 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -10.548 10.715 -15.923 1.00 0.00 H new ATOM 758 N TYR A 56 -9.541 15.925 -14.712 1.00 0.00 N ATOM 759 CA TYR A 56 -8.644 16.862 -14.062 1.00 0.00 C ATOM 760 C TYR A 56 -9.209 18.106 -13.378 1.00 0.00 C ATOM 761 O TYR A 56 -10.050 18.813 -13.924 1.00 0.00 O ATOM 762 CB TYR A 56 -7.638 17.247 -15.149 1.00 0.00 C ATOM 763 CG TYR A 56 -8.113 17.845 -16.484 1.00 0.00 C ATOM 764 CD1 TYR A 56 -9.467 18.118 -16.783 1.00 0.00 C ATOM 765 CD2 TYR A 56 -7.142 18.122 -17.468 1.00 0.00 C ATOM 766 CE1 TYR A 56 -9.837 18.659 -18.025 1.00 0.00 C ATOM 767 CE2 TYR A 56 -7.513 18.656 -18.716 1.00 0.00 C ATOM 768 CZ TYR A 56 -8.863 18.928 -18.995 1.00 0.00 C ATOM 769 OH TYR A 56 -9.226 19.457 -20.201 1.00 0.00 O ATOM 0 H TYR A 56 -10.407 16.344 -15.052 1.00 0.00 H new ATOM 0 HA TYR A 56 -8.239 16.347 -13.191 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -6.945 17.963 -14.706 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -7.063 16.352 -15.385 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -10.228 17.908 -16.046 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -6.101 17.922 -17.261 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -10.876 18.868 -18.233 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -6.758 18.857 -19.461 1.00 0.00 H new ATOM 0 HH TYR A 56 -8.428 19.583 -20.756 1.00 0.00 H new ATOM 779 N GLN A 57 -8.706 18.372 -12.160 1.00 0.00 N ATOM 780 CA GLN A 57 -9.116 19.492 -11.326 1.00 0.00 C ATOM 781 C GLN A 57 -7.969 20.071 -10.512 1.00 0.00 C ATOM 782 O GLN A 57 -7.092 19.336 -10.062 1.00 0.00 O ATOM 783 CB GLN A 57 -10.156 19.025 -10.305 1.00 0.00 C ATOM 784 CG GLN A 57 -11.568 18.988 -10.868 1.00 0.00 C ATOM 785 CD GLN A 57 -11.837 17.819 -11.816 1.00 0.00 C ATOM 786 OE1 GLN A 57 -11.256 16.745 -11.676 1.00 0.00 O ATOM 787 NE2 GLN A 57 -12.731 18.033 -12.786 1.00 0.00 N ATOM 0 H GLN A 57 -7.986 17.794 -11.727 1.00 0.00 H new ATOM 0 HA GLN A 57 -9.503 20.247 -12.010 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -9.887 18.030 -9.949 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -10.133 19.689 -9.441 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -12.275 18.939 -10.040 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -11.760 19.921 -11.397 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -13.190 18.940 -12.865 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -12.954 17.289 -13.447 1.00 0.00 H new ATOM 796 N GLU A 58 -8.000 21.399 -10.325 1.00 0.00 N ATOM 797 CA GLU A 58 -7.010 22.120 -9.550 1.00 0.00 C ATOM 798 C GLU A 58 -7.330 22.028 -8.068 1.00 0.00 C ATOM 799 O GLU A 58 -8.468 21.799 -7.667 1.00 0.00 O ATOM 800 CB GLU A 58 -6.942 23.603 -9.929 1.00 0.00 C ATOM 801 CG GLU A 58 -6.557 23.829 -11.390 1.00 0.00 C ATOM 802 CD GLU A 58 -5.944 25.216 -11.577 1.00 0.00 C ATOM 803 OE1 GLU A 58 -4.771 25.373 -11.172 1.00 0.00 O ATOM 804 OE2 GLU A 58 -6.652 26.090 -12.123 1.00 0.00 O ATOM 0 H GLU A 58 -8.726 21.999 -10.717 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.048 21.656 -9.769 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -7.910 24.066 -9.739 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.218 24.104 -9.287 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.846 23.066 -11.706 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.438 23.726 -12.024 1.00 0.00 H new ATOM 811 N PHE A 59 -6.278 22.201 -7.268 1.00 0.00 N ATOM 812 CA PHE A 59 -6.302 22.193 -5.823 1.00 0.00 C ATOM 813 C PHE A 59 -5.007 22.907 -5.445 1.00 0.00 C ATOM 814 O PHE A 59 -3.941 22.328 -5.595 1.00 0.00 O ATOM 815 CB PHE A 59 -6.360 20.748 -5.337 1.00 0.00 C ATOM 816 CG PHE A 59 -6.645 20.657 -3.856 1.00 0.00 C ATOM 817 CD1 PHE A 59 -5.596 20.764 -2.928 1.00 0.00 C ATOM 818 CD2 PHE A 59 -7.968 20.483 -3.403 1.00 0.00 C ATOM 819 CE1 PHE A 59 -5.868 20.692 -1.554 1.00 0.00 C ATOM 820 CE2 PHE A 59 -8.237 20.403 -2.027 1.00 0.00 C ATOM 821 CZ PHE A 59 -7.187 20.512 -1.101 1.00 0.00 C ATOM 0 H PHE A 59 -5.341 22.358 -7.640 1.00 0.00 H new ATOM 0 HA PHE A 59 -7.163 22.686 -5.372 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -7.133 20.212 -5.888 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -5.413 20.255 -5.554 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.582 20.902 -3.272 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -8.777 20.411 -4.115 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.061 20.775 -0.841 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -9.250 20.258 -1.682 1.00 0.00 H new ATOM 0 HZ PHE A 59 -7.392 20.458 -0.042 1.00 0.00 H new ATOM 831 N PRO A 60 -5.027 24.143 -4.945 1.00 0.00 N ATOM 832 CA PRO A 60 -3.791 24.834 -4.657 1.00 0.00 C ATOM 833 C PRO A 60 -3.090 24.280 -3.408 1.00 0.00 C ATOM 834 O PRO A 60 -3.749 24.047 -2.393 1.00 0.00 O ATOM 835 CB PRO A 60 -4.209 26.291 -4.591 1.00 0.00 C ATOM 836 CG PRO A 60 -5.598 26.216 -3.957 1.00 0.00 C ATOM 837 CD PRO A 60 -6.174 24.953 -4.602 1.00 0.00 C ATOM 0 HA PRO A 60 -3.017 24.695 -5.412 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.520 26.882 -3.988 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -4.240 26.748 -5.580 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -5.547 26.133 -2.871 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -6.197 27.098 -4.181 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.836 24.427 -3.914 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.762 25.196 -5.487 1.00 0.00 H new ATOM 845 N ILE A 61 -1.762 24.061 -3.479 1.00 0.00 N ATOM 846 CA ILE A 61 -0.971 23.517 -2.377 1.00 0.00 C ATOM 847 C ILE A 61 -0.596 24.593 -1.397 1.00 0.00 C ATOM 848 O ILE A 61 -0.856 25.785 -1.555 1.00 0.00 O ATOM 849 CB ILE A 61 0.268 22.717 -2.852 1.00 0.00 C ATOM 850 CG1 ILE A 61 1.300 21.946 -1.974 1.00 0.00 C ATOM 851 CG2 ILE A 61 1.020 23.445 -3.960 1.00 0.00 C ATOM 852 CD1 ILE A 61 0.768 20.647 -1.350 1.00 0.00 C ATOM 0 H ILE A 61 -1.211 24.261 -4.314 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.610 22.798 -1.863 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.348 21.852 -3.099 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.171 21.709 -2.585 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.640 22.604 -1.175 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.882 22.852 -4.265 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.358 23.590 -4.814 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.358 24.414 -3.594 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.554 20.179 -0.757 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.084 20.874 -0.709 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.456 19.965 -2.141 1.00 0.00 H new ATOM 864 N LYS A 62 0.044 24.060 -0.375 1.00 0.00 N ATOM 865 CA LYS A 62 0.550 24.826 0.755 1.00 0.00 C ATOM 866 C LYS A 62 1.710 24.137 1.464 1.00 0.00 C ATOM 867 O LYS A 62 1.854 22.915 1.435 1.00 0.00 O ATOM 868 CB LYS A 62 -0.584 25.134 1.741 1.00 0.00 C ATOM 869 CG LYS A 62 -0.208 26.034 2.928 1.00 0.00 C ATOM 870 CD LYS A 62 0.254 27.436 2.503 1.00 0.00 C ATOM 871 CE LYS A 62 0.695 28.240 3.729 1.00 0.00 C ATOM 872 NZ LYS A 62 1.177 29.576 3.340 1.00 0.00 N ATOM 0 H LYS A 62 0.233 23.060 -0.302 1.00 0.00 H new ATOM 0 HA LYS A 62 0.942 25.761 0.356 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.398 25.608 1.193 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.968 24.191 2.131 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.068 26.128 3.591 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.586 25.555 3.501 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.079 27.356 1.795 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.557 27.955 1.991 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.140 28.339 4.423 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.485 27.704 4.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.470 30.100 4.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.988 29.479 2.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.414 30.094 2.859 1.00 0.00 H new ATOM 886 N SER A 63 2.524 24.977 2.112 1.00 0.00 N ATOM 887 CA SER A 63 3.702 24.640 2.893 1.00 0.00 C ATOM 888 C SER A 63 3.251 24.257 4.306 1.00 0.00 C ATOM 889 O SER A 63 3.761 24.780 5.295 1.00 0.00 O ATOM 890 CB SER A 63 4.637 25.857 2.916 1.00 0.00 C ATOM 891 OG SER A 63 5.031 26.194 1.603 1.00 0.00 O ATOM 0 H SER A 63 2.357 25.983 2.098 1.00 0.00 H new ATOM 0 HA SER A 63 4.241 23.798 2.458 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.132 26.704 3.381 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.516 25.638 3.522 1.00 0.00 H new ATOM 0 HG SER A 63 4.930 25.412 1.020 1.00 0.00 H new ATOM 897 N GLY A 64 2.280 23.341 4.395 1.00 0.00 N ATOM 898 CA GLY A 64 1.717 22.882 5.651 1.00 0.00 C ATOM 899 C GLY A 64 0.642 21.833 5.385 1.00 0.00 C ATOM 900 O GLY A 64 -0.533 22.065 5.667 1.00 0.00 O ATOM 0 H GLY A 64 1.863 22.896 3.578 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.502 22.460 6.279 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.290 23.723 6.197 1.00 0.00 H new ATOM 904 N GLY A 65 1.053 20.684 4.834 1.00 0.00 N ATOM 905 CA GLY A 65 0.162 19.578 4.531 1.00 0.00 C ATOM 906 C GLY A 65 -0.658 19.853 3.275 1.00 0.00 C ATOM 907 O GLY A 65 -0.153 19.739 2.158 1.00 0.00 O ATOM 0 H GLY A 65 2.026 20.503 4.587 1.00 0.00 H new ATOM 0 HA2 GLY A 65 0.744 18.666 4.395 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -0.507 19.406 5.374 1.00 0.00 H new ATOM 911 N VAL A 66 -1.926 20.213 3.495 1.00 0.00 N ATOM 912 CA VAL A 66 -2.933 20.513 2.491 1.00 0.00 C ATOM 913 C VAL A 66 -3.263 22.018 2.513 1.00 0.00 C ATOM 914 O VAL A 66 -2.642 22.767 3.264 1.00 0.00 O ATOM 915 CB VAL A 66 -4.107 19.551 2.765 1.00 0.00 C ATOM 916 CG1 VAL A 66 -4.873 19.882 4.052 1.00 0.00 C ATOM 917 CG2 VAL A 66 -5.079 19.384 1.595 1.00 0.00 C ATOM 0 H VAL A 66 -2.293 20.307 4.442 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.605 20.343 1.466 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.615 18.588 2.901 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.686 19.168 4.186 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.195 19.824 4.904 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.283 20.889 3.982 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.872 18.691 1.877 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.515 20.351 1.343 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.544 18.991 0.731 1.00 0.00 H new ATOM 927 N TYR A 67 -4.226 22.450 1.684 1.00 0.00 N ATOM 928 CA TYR A 67 -4.712 23.821 1.491 1.00 0.00 C ATOM 929 C TYR A 67 -4.889 24.689 2.748 1.00 0.00 C ATOM 930 O TYR A 67 -4.885 24.199 3.877 1.00 0.00 O ATOM 931 CB TYR A 67 -6.049 23.780 0.725 1.00 0.00 C ATOM 932 CG TYR A 67 -7.276 23.759 1.626 1.00 0.00 C ATOM 933 CD1 TYR A 67 -7.489 22.688 2.514 1.00 0.00 C ATOM 934 CD2 TYR A 67 -8.199 24.818 1.587 1.00 0.00 C ATOM 935 CE1 TYR A 67 -8.610 22.677 3.360 1.00 0.00 C ATOM 936 CE2 TYR A 67 -9.320 24.808 2.433 1.00 0.00 C ATOM 937 CZ TYR A 67 -9.521 23.746 3.329 1.00 0.00 C ATOM 938 OH TYR A 67 -10.608 23.752 4.154 1.00 0.00 O ATOM 0 H TYR A 67 -4.724 21.794 1.083 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.911 24.309 0.935 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -6.107 24.648 0.069 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -6.064 22.896 0.087 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -6.786 21.869 2.545 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -8.046 25.641 0.905 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -8.771 21.848 4.033 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -10.030 25.621 2.394 1.00 0.00 H new ATOM 0 HH TYR A 67 -11.131 24.567 4.001 1.00 0.00 H new ATOM 948 N THR A 68 -5.062 25.999 2.517 1.00 0.00 N ATOM 949 CA THR A 68 -5.268 27.016 3.540 1.00 0.00 C ATOM 950 C THR A 68 -6.763 27.293 3.711 1.00 0.00 C ATOM 951 O THR A 68 -7.324 27.036 4.775 1.00 0.00 O ATOM 952 CB THR A 68 -4.521 28.311 3.174 1.00 0.00 C ATOM 953 OG1 THR A 68 -4.893 28.796 1.898 1.00 0.00 O ATOM 954 CG2 THR A 68 -3.012 28.086 3.183 1.00 0.00 C ATOM 0 H THR A 68 -5.061 26.386 1.573 1.00 0.00 H new ATOM 0 HA THR A 68 -4.868 26.646 4.484 1.00 0.00 H new ATOM 0 HB THR A 68 -4.796 29.050 3.927 1.00 0.00 H new ATOM 0 HG1 THR A 68 -4.524 29.695 1.769 1.00 0.00 H new ATOM 0 HG21 THR A 68 -2.504 29.014 2.922 1.00 0.00 H new ATOM 0 HG22 THR A 68 -2.697 27.768 4.177 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.755 27.315 2.457 1.00 0.00 H new ATOM 962 N GLY A 69 -7.393 27.817 2.653 1.00 0.00 N ATOM 963 CA GLY A 69 -8.800 28.180 2.604 1.00 0.00 C ATOM 964 C GLY A 69 -8.928 29.689 2.778 1.00 0.00 C ATOM 965 O GLY A 69 -9.518 30.152 3.752 1.00 0.00 O ATOM 0 H GLY A 69 -6.909 28.004 1.775 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -9.236 27.872 1.653 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -9.350 27.662 3.390 1.00 0.00 H new ATOM 969 N GLY A 70 -8.365 30.448 1.830 1.00 0.00 N ATOM 970 CA GLY A 70 -8.386 31.899 1.850 1.00 0.00 C ATOM 971 C GLY A 70 -7.866 32.458 0.529 1.00 0.00 C ATOM 972 O GLY A 70 -8.603 33.139 -0.185 1.00 0.00 O ATOM 0 H GLY A 70 -7.879 30.059 1.022 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -9.402 32.252 2.026 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -7.774 32.266 2.674 1.00 0.00 H new ATOM 976 N SER A 71 -6.599 32.161 0.206 1.00 0.00 N ATOM 977 CA SER A 71 -5.931 32.622 -1.003 1.00 0.00 C ATOM 978 C SER A 71 -4.811 31.646 -1.386 1.00 0.00 C ATOM 979 O SER A 71 -4.192 31.062 -0.497 1.00 0.00 O ATOM 980 CB SER A 71 -5.368 34.027 -0.731 1.00 0.00 C ATOM 981 OG SER A 71 -4.564 34.493 -1.794 1.00 0.00 O ATOM 0 H SER A 71 -6.004 31.580 0.796 1.00 0.00 H new ATOM 0 HA SER A 71 -6.632 32.665 -1.836 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.192 34.722 -0.569 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.780 34.010 0.187 1.00 0.00 H new ATOM 0 HG SER A 71 -4.228 35.389 -1.582 1.00 0.00 H new ATOM 987 N PRO A 72 -4.525 31.464 -2.691 1.00 0.00 N ATOM 988 CA PRO A 72 -3.394 30.681 -3.182 1.00 0.00 C ATOM 989 C PRO A 72 -2.075 31.443 -2.957 1.00 0.00 C ATOM 990 O PRO A 72 -2.014 32.336 -2.113 1.00 0.00 O ATOM 991 CB PRO A 72 -3.715 30.432 -4.663 1.00 0.00 C ATOM 992 CG PRO A 72 -4.464 31.701 -5.061 1.00 0.00 C ATOM 993 CD PRO A 72 -5.288 32.000 -3.811 1.00 0.00 C ATOM 0 HA PRO A 72 -3.256 29.736 -2.657 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -2.811 30.293 -5.256 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -4.327 29.540 -4.801 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -3.782 32.516 -5.303 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -5.095 31.543 -5.936 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -5.449 33.072 -3.697 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -6.272 31.535 -3.871 1.00 0.00 H new ATOM 1001 N GLY A 73 -1.014 31.116 -3.708 1.00 0.00 N ATOM 1002 CA GLY A 73 0.279 31.748 -3.574 1.00 0.00 C ATOM 1003 C GLY A 73 1.167 31.207 -4.685 1.00 0.00 C ATOM 1004 O GLY A 73 2.333 30.900 -4.445 1.00 0.00 O ATOM 0 H GLY A 73 -1.044 30.396 -4.430 1.00 0.00 H new ATOM 0 HA2 GLY A 73 0.186 32.831 -3.650 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.712 31.533 -2.597 1.00 0.00 H new ATOM 1008 N ALA A 74 0.584 31.087 -5.890 1.00 0.00 N ATOM 1009 CA ALA A 74 1.206 30.619 -7.114 1.00 0.00 C ATOM 1010 C ALA A 74 1.531 29.135 -7.180 1.00 0.00 C ATOM 1011 O ALA A 74 1.580 28.633 -8.295 1.00 0.00 O ATOM 1012 CB ALA A 74 2.456 31.417 -7.410 1.00 0.00 C ATOM 0 H ALA A 74 -0.396 31.333 -6.031 1.00 0.00 H new ATOM 0 HA ALA A 74 0.439 30.777 -7.872 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.910 31.053 -8.332 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.197 32.470 -7.524 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.163 31.304 -6.588 1.00 0.00 H new ATOM 1018 N ASP A 75 1.768 28.441 -6.053 1.00 0.00 N ATOM 1019 CA ASP A 75 2.073 27.016 -6.015 1.00 0.00 C ATOM 1020 C ASP A 75 0.781 26.192 -6.017 1.00 0.00 C ATOM 1021 O ASP A 75 0.023 26.184 -5.042 1.00 0.00 O ATOM 1022 CB ASP A 75 2.933 26.711 -4.787 1.00 0.00 C ATOM 1023 CG ASP A 75 4.318 27.354 -4.880 1.00 0.00 C ATOM 1024 OD1 ASP A 75 4.386 28.602 -4.829 1.00 0.00 O ATOM 1025 OD2 ASP A 75 5.290 26.578 -4.992 1.00 0.00 O ATOM 0 H ASP A 75 1.750 28.872 -5.129 1.00 0.00 H new ATOM 0 HA ASP A 75 2.636 26.740 -6.906 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.426 27.071 -3.892 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.041 25.632 -4.680 1.00 0.00 H new ATOM 1030 N ARG A 76 0.548 25.483 -7.128 1.00 0.00 N ATOM 1031 CA ARG A 76 -0.633 24.665 -7.339 1.00 0.00 C ATOM 1032 C ARG A 76 -0.308 23.190 -7.575 1.00 0.00 C ATOM 1033 O ARG A 76 0.782 22.847 -8.031 1.00 0.00 O ATOM 1034 CB ARG A 76 -1.353 25.140 -8.610 1.00 0.00 C ATOM 1035 CG ARG A 76 -1.622 26.639 -8.754 1.00 0.00 C ATOM 1036 CD ARG A 76 -2.767 27.128 -7.868 1.00 0.00 C ATOM 1037 NE ARG A 76 -3.090 28.534 -8.151 1.00 0.00 N ATOM 1038 CZ ARG A 76 -3.695 28.992 -9.262 1.00 0.00 C ATOM 1039 NH1 ARG A 76 -4.139 28.162 -10.219 1.00 0.00 N ATOM 1040 NH2 ARG A 76 -3.855 30.313 -9.423 1.00 0.00 N ATOM 0 H ARG A 76 1.194 25.468 -7.917 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.235 24.765 -6.436 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -0.763 24.821 -9.469 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.309 24.620 -8.669 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -0.716 27.191 -8.504 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.855 26.862 -9.795 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.649 26.509 -8.033 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.492 27.019 -6.819 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.833 29.222 -7.443 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.021 27.154 -10.115 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.594 28.539 -11.050 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.520 30.958 -8.708 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -4.312 30.673 -10.261 1.00 0.00 H new ATOM 1054 N VAL A 77 -1.279 22.332 -7.243 1.00 0.00 N ATOM 1055 CA VAL A 77 -1.242 20.893 -7.453 1.00 0.00 C ATOM 1056 C VAL A 77 -2.548 20.601 -8.186 1.00 0.00 C ATOM 1057 O VAL A 77 -3.571 21.223 -7.910 1.00 0.00 O ATOM 1058 CB VAL A 77 -1.044 20.014 -6.215 1.00 0.00 C ATOM 1059 CG1 VAL A 77 0.356 20.128 -5.608 1.00 0.00 C ATOM 1060 CG2 VAL A 77 -2.095 20.153 -5.115 1.00 0.00 C ATOM 0 H VAL A 77 -2.145 22.641 -6.803 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.347 20.627 -8.015 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.176 19.015 -6.631 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.428 19.480 -4.735 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.098 19.826 -6.347 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.540 21.160 -5.310 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.850 19.483 -4.291 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.110 21.181 -4.754 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.076 19.894 -5.514 1.00 0.00 H new ATOM 1070 N VAL A 78 -2.528 19.665 -9.130 1.00 0.00 N ATOM 1071 CA VAL A 78 -3.702 19.345 -9.926 1.00 0.00 C ATOM 1072 C VAL A 78 -3.821 17.822 -9.995 1.00 0.00 C ATOM 1073 O VAL A 78 -2.860 17.151 -10.362 1.00 0.00 O ATOM 1074 CB VAL A 78 -3.542 20.094 -11.263 1.00 0.00 C ATOM 1075 CG1 VAL A 78 -4.735 19.883 -12.201 1.00 0.00 C ATOM 1076 CG2 VAL A 78 -3.342 21.610 -11.001 1.00 0.00 C ATOM 0 H VAL A 78 -1.703 19.112 -9.362 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.653 19.676 -9.509 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.663 19.682 -11.758 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.571 20.432 -13.128 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.840 18.821 -12.422 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.644 20.245 -11.721 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.230 22.132 -11.951 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.208 22.005 -10.470 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.447 21.760 -10.397 1.00 0.00 H new ATOM 1086 N ILE A 79 -5.000 17.290 -9.628 1.00 0.00 N ATOM 1087 CA ILE A 79 -5.293 15.858 -9.570 1.00 0.00 C ATOM 1088 C ILE A 79 -6.272 15.367 -10.642 1.00 0.00 C ATOM 1089 O ILE A 79 -6.525 16.071 -11.615 1.00 0.00 O ATOM 1090 CB ILE A 79 -5.770 15.503 -8.145 1.00 0.00 C ATOM 1091 CG1 ILE A 79 -7.255 15.789 -7.846 1.00 0.00 C ATOM 1092 CG2 ILE A 79 -4.935 16.202 -7.069 1.00 0.00 C ATOM 1093 CD1 ILE A 79 -7.778 14.729 -6.874 1.00 0.00 C ATOM 0 H ILE A 79 -5.796 17.867 -9.356 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.368 15.328 -9.797 1.00 0.00 H new ATOM 0 HB ILE A 79 -5.635 14.422 -8.113 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.368 16.784 -7.415 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.835 15.773 -8.769 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -5.306 15.923 -6.083 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.892 15.899 -7.164 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -5.012 17.282 -7.194 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.828 14.922 -6.656 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -7.677 13.741 -7.324 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -7.202 14.768 -5.949 1.00 0.00 H new ATOM 1105 N ASN A 80 -6.800 14.145 -10.438 1.00 0.00 N ATOM 1106 CA ASN A 80 -7.775 13.428 -11.256 1.00 0.00 C ATOM 1107 C ASN A 80 -8.964 13.100 -10.345 1.00 0.00 C ATOM 1108 O ASN A 80 -8.758 12.672 -9.210 1.00 0.00 O ATOM 1109 CB ASN A 80 -7.156 12.148 -11.842 1.00 0.00 C ATOM 1110 CG ASN A 80 -5.951 12.427 -12.739 1.00 0.00 C ATOM 1111 OD1 ASN A 80 -4.885 12.790 -12.252 1.00 0.00 O ATOM 1112 ND2 ASN A 80 -6.105 12.249 -14.054 1.00 0.00 N ATOM 0 H ASN A 80 -6.526 13.594 -9.625 1.00 0.00 H new ATOM 0 HA ASN A 80 -8.097 14.036 -12.102 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -6.851 11.492 -11.027 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -7.913 11.614 -12.415 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -5.322 12.416 -14.686 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -7.005 11.946 -14.426 1.00 0.00 H new ATOM 1119 N THR A 81 -10.207 13.279 -10.828 1.00 0.00 N ATOM 1120 CA THR A 81 -11.415 13.051 -10.034 1.00 0.00 C ATOM 1121 C THR A 81 -11.626 11.690 -9.403 1.00 0.00 C ATOM 1122 O THR A 81 -12.470 11.589 -8.512 1.00 0.00 O ATOM 1123 CB THR A 81 -12.692 13.572 -10.718 1.00 0.00 C ATOM 1124 OG1 THR A 81 -13.698 13.837 -9.763 1.00 0.00 O ATOM 1125 CG2 THR A 81 -13.256 12.527 -11.672 1.00 0.00 C ATOM 0 H THR A 81 -10.396 13.586 -11.782 1.00 0.00 H new ATOM 0 HA THR A 81 -11.196 13.668 -9.163 1.00 0.00 H new ATOM 0 HB THR A 81 -12.417 14.480 -11.254 1.00 0.00 H new ATOM 0 HG1 THR A 81 -13.717 14.797 -9.566 1.00 0.00 H new ATOM 0 HG21 THR A 81 -14.158 12.915 -12.145 1.00 0.00 H new ATOM 0 HG22 THR A 81 -12.515 12.296 -12.438 1.00 0.00 H new ATOM 0 HG23 THR A 81 -13.499 11.621 -11.117 1.00 0.00 H new ATOM 1133 N ASN A 82 -10.901 10.651 -9.820 1.00 0.00 N ATOM 1134 CA ASN A 82 -11.094 9.376 -9.170 1.00 0.00 C ATOM 1135 C ASN A 82 -10.282 9.528 -7.885 1.00 0.00 C ATOM 1136 O ASN A 82 -10.842 9.734 -6.810 1.00 0.00 O ATOM 1137 CB ASN A 82 -10.657 8.224 -10.084 1.00 0.00 C ATOM 1138 CG ASN A 82 -10.841 6.893 -9.367 1.00 0.00 C ATOM 1139 OD1 ASN A 82 -11.922 6.308 -9.410 1.00 0.00 O ATOM 1140 ND2 ASN A 82 -9.792 6.415 -8.693 1.00 0.00 N ATOM 0 H ASN A 82 -10.209 10.671 -10.569 1.00 0.00 H new ATOM 0 HA ASN A 82 -12.131 9.123 -8.947 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -11.243 8.236 -11.003 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -9.613 8.351 -10.370 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -9.870 5.532 -8.188 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -8.913 6.933 -8.683 1.00 0.00 H new ATOM 1147 N CYS A 83 -8.965 9.409 -8.034 1.00 0.00 N ATOM 1148 CA CYS A 83 -7.949 9.530 -6.994 1.00 0.00 C ATOM 1149 C CYS A 83 -6.515 9.724 -7.510 1.00 0.00 C ATOM 1150 O CYS A 83 -5.611 9.888 -6.691 1.00 0.00 O ATOM 1151 CB CYS A 83 -8.039 8.420 -5.935 1.00 0.00 C ATOM 1152 SG CYS A 83 -7.890 8.997 -4.214 1.00 0.00 S ATOM 0 H CYS A 83 -8.553 9.212 -8.946 1.00 0.00 H new ATOM 0 HA CYS A 83 -8.196 10.468 -6.497 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -8.992 7.904 -6.050 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -7.255 7.688 -6.128 1.00 0.00 H new ATOM 1157 N GLU A 84 -6.279 9.726 -8.834 1.00 0.00 N ATOM 1158 CA GLU A 84 -4.933 9.830 -9.395 1.00 0.00 C ATOM 1159 C GLU A 84 -4.416 11.267 -9.389 1.00 0.00 C ATOM 1160 O GLU A 84 -5.170 12.195 -9.106 1.00 0.00 O ATOM 1161 CB GLU A 84 -4.914 9.213 -10.806 1.00 0.00 C ATOM 1162 CG GLU A 84 -3.675 8.336 -11.034 1.00 0.00 C ATOM 1163 CD GLU A 84 -3.575 7.862 -12.484 1.00 0.00 C ATOM 1164 OE1 GLU A 84 -4.590 7.334 -12.984 1.00 0.00 O ATOM 1165 OE2 GLU A 84 -2.480 8.030 -13.066 1.00 0.00 O ATOM 0 H GLU A 84 -7.016 9.656 -9.536 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.249 9.267 -8.760 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.813 8.615 -10.952 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.936 10.009 -11.550 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.778 8.898 -10.773 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -3.714 7.472 -10.371 1.00 0.00 H new ATOM 1172 N TYR A 85 -3.123 11.432 -9.694 1.00 0.00 N ATOM 1173 CA TYR A 85 -2.431 12.712 -9.710 1.00 0.00 C ATOM 1174 C TYR A 85 -2.018 13.111 -11.130 1.00 0.00 C ATOM 1175 O TYR A 85 -1.369 12.328 -11.820 1.00 0.00 O ATOM 1176 CB TYR A 85 -1.205 12.596 -8.786 1.00 0.00 C ATOM 1177 CG TYR A 85 -0.968 13.756 -7.843 1.00 0.00 C ATOM 1178 CD1 TYR A 85 -1.348 15.067 -8.189 1.00 0.00 C ATOM 1179 CD2 TYR A 85 -0.356 13.522 -6.599 1.00 0.00 C ATOM 1180 CE1 TYR A 85 -1.144 16.126 -7.294 1.00 0.00 C ATOM 1181 CE2 TYR A 85 -0.154 14.576 -5.709 1.00 0.00 C ATOM 1182 CZ TYR A 85 -0.556 15.880 -6.041 1.00 0.00 C ATOM 1183 OH TYR A 85 -0.360 16.889 -5.145 1.00 0.00 O ATOM 0 H TYR A 85 -2.517 10.650 -9.943 1.00 0.00 H new ATOM 0 HA TYR A 85 -3.098 13.497 -9.353 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -1.308 11.687 -8.193 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -0.318 12.473 -9.407 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -1.800 15.258 -9.151 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -0.042 12.524 -6.332 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -1.438 17.129 -7.566 1.00 0.00 H new ATOM 0 HE2 TYR A 85 0.316 14.388 -4.755 1.00 0.00 H new ATOM 0 HH TYR A 85 -0.282 16.515 -4.243 1.00 0.00 H new ATOM 1193 N ALA A 86 -2.393 14.324 -11.566 1.00 0.00 N ATOM 1194 CA ALA A 86 -2.051 14.848 -12.882 1.00 0.00 C ATOM 1195 C ALA A 86 -0.636 15.433 -12.831 1.00 0.00 C ATOM 1196 O ALA A 86 0.202 15.080 -13.658 1.00 0.00 O ATOM 1197 CB ALA A 86 -3.091 15.873 -13.344 1.00 0.00 C ATOM 0 H ALA A 86 -2.948 14.969 -11.003 1.00 0.00 H new ATOM 0 HA ALA A 86 -2.062 14.045 -13.619 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.816 16.251 -14.329 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -4.071 15.398 -13.398 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -3.127 16.700 -12.635 1.00 0.00 H new ATOM 1203 N GLY A 87 -0.370 16.319 -11.858 1.00 0.00 N ATOM 1204 CA GLY A 87 0.940 16.931 -11.681 1.00 0.00 C ATOM 1205 C GLY A 87 0.893 18.141 -10.749 1.00 0.00 C ATOM 1206 O GLY A 87 -0.025 18.271 -9.940 1.00 0.00 O ATOM 0 H GLY A 87 -1.063 16.626 -11.176 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.633 16.192 -11.279 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.330 17.238 -12.652 1.00 0.00 H new ATOM 1210 N ALA A 88 1.898 19.020 -10.870 1.00 0.00 N ATOM 1211 CA ALA A 88 2.037 20.227 -10.064 1.00 0.00 C ATOM 1212 C ALA A 88 2.699 21.333 -10.882 1.00 0.00 C ATOM 1213 O ALA A 88 3.570 21.056 -11.707 1.00 0.00 O ATOM 1214 CB ALA A 88 2.840 19.920 -8.798 1.00 0.00 C ATOM 0 H ALA A 88 2.651 18.903 -11.548 1.00 0.00 H new ATOM 0 HA ALA A 88 1.048 20.575 -9.765 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.939 20.827 -8.201 1.00 0.00 H new ATOM 0 HB2 ALA A 88 2.323 19.157 -8.216 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.830 19.557 -9.074 1.00 0.00 H new ATOM 1220 N ILE A 89 2.280 22.582 -10.633 1.00 0.00 N ATOM 1221 CA ILE A 89 2.760 23.771 -11.324 1.00 0.00 C ATOM 1222 C ILE A 89 2.978 24.929 -10.338 1.00 0.00 C ATOM 1223 O ILE A 89 2.535 24.852 -9.194 1.00 0.00 O ATOM 1224 CB ILE A 89 1.769 24.120 -12.460 1.00 0.00 C ATOM 1225 CG1 ILE A 89 0.370 24.458 -11.918 1.00 0.00 C ATOM 1226 CG2 ILE A 89 1.660 22.973 -13.469 1.00 0.00 C ATOM 1227 CD1 ILE A 89 -0.637 24.827 -13.013 1.00 0.00 C ATOM 0 H ILE A 89 1.578 22.791 -9.924 1.00 0.00 H new ATOM 0 HA ILE A 89 3.734 23.579 -11.773 1.00 0.00 H new ATOM 0 HB ILE A 89 2.167 25.003 -12.960 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.010 23.603 -11.359 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.452 25.288 -11.216 1.00 0.00 H new ATOM 0 HG21 ILE A 89 0.957 23.246 -14.256 1.00 0.00 H new ATOM 0 HG22 ILE A 89 2.639 22.780 -13.908 1.00 0.00 H new ATOM 0 HG23 ILE A 89 1.306 22.075 -12.962 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -1.602 25.053 -12.559 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -0.279 25.700 -13.558 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.748 23.990 -13.702 1.00 0.00 H new ATOM 1239 N THR A 90 3.669 25.998 -10.771 1.00 0.00 N ATOM 1240 CA THR A 90 3.933 27.175 -9.945 1.00 0.00 C ATOM 1241 C THR A 90 4.199 28.442 -10.768 1.00 0.00 C ATOM 1242 O THR A 90 4.587 28.337 -11.931 1.00 0.00 O ATOM 1243 CB THR A 90 5.104 26.912 -8.980 1.00 0.00 C ATOM 1244 OG1 THR A 90 5.204 27.966 -8.043 1.00 0.00 O ATOM 1245 CG2 THR A 90 6.445 26.786 -9.719 1.00 0.00 C ATOM 0 H THR A 90 4.060 26.064 -11.711 1.00 0.00 H new ATOM 0 HA THR A 90 3.024 27.356 -9.372 1.00 0.00 H new ATOM 0 HB THR A 90 4.897 25.968 -8.476 1.00 0.00 H new ATOM 0 HG1 THR A 90 6.079 28.400 -8.130 1.00 0.00 H new ATOM 0 HG21 THR A 90 7.242 26.601 -8.998 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.395 25.957 -10.425 1.00 0.00 H new ATOM 0 HG23 THR A 90 6.651 27.710 -10.259 1.00 0.00 H new ATOM 1253 N HIS A 91 3.982 29.638 -10.180 1.00 0.00 N ATOM 1254 CA HIS A 91 4.279 30.893 -10.899 1.00 0.00 C ATOM 1255 C HIS A 91 5.780 31.220 -10.896 1.00 0.00 C ATOM 1256 O HIS A 91 6.253 31.845 -11.842 1.00 0.00 O ATOM 1257 CB HIS A 91 3.630 32.194 -10.381 1.00 0.00 C ATOM 1258 CG HIS A 91 2.134 32.310 -10.480 1.00 0.00 C ATOM 1259 ND1 HIS A 91 1.447 33.440 -10.068 1.00 0.00 N ATOM 1260 CD2 HIS A 91 1.174 31.454 -10.943 1.00 0.00 C ATOM 1261 CE1 HIS A 91 0.143 33.223 -10.305 1.00 0.00 C ATOM 1262 NE2 HIS A 91 -0.091 32.023 -10.840 1.00 0.00 N ATOM 0 H HIS A 91 3.613 29.760 -9.237 1.00 0.00 H new ATOM 0 HA HIS A 91 3.858 30.649 -11.875 1.00 0.00 H new ATOM 0 HB2 HIS A 91 3.908 32.315 -9.334 1.00 0.00 H new ATOM 0 HB3 HIS A 91 4.069 33.029 -10.926 1.00 0.00 H new ATOM 0 HD2 HIS A 91 1.371 30.468 -11.336 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -0.633 33.942 -10.086 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -0.987 31.618 -11.110 1.00 0.00 H new ATOM 1270 N THR A 92 6.514 30.819 -9.845 1.00 0.00 N ATOM 1271 CA THR A 92 7.941 31.060 -9.624 1.00 0.00 C ATOM 1272 C THR A 92 8.814 31.192 -10.876 1.00 0.00 C ATOM 1273 O THR A 92 9.292 32.283 -11.190 1.00 0.00 O ATOM 1274 CB THR A 92 8.497 30.023 -8.633 1.00 0.00 C ATOM 1275 OG1 THR A 92 7.709 30.026 -7.462 1.00 0.00 O ATOM 1276 CG2 THR A 92 9.951 30.323 -8.245 1.00 0.00 C ATOM 0 H THR A 92 6.097 30.285 -9.083 1.00 0.00 H new ATOM 0 HA THR A 92 7.999 32.060 -9.194 1.00 0.00 H new ATOM 0 HB THR A 92 8.466 29.050 -9.122 1.00 0.00 H new ATOM 0 HG1 THR A 92 8.060 29.365 -6.830 1.00 0.00 H new ATOM 0 HG21 THR A 92 10.304 29.567 -7.544 1.00 0.00 H new ATOM 0 HG22 THR A 92 10.576 30.310 -9.138 1.00 0.00 H new ATOM 0 HG23 THR A 92 10.007 31.306 -7.777 1.00 0.00 H new ATOM 1284 N GLY A 93 9.014 30.082 -11.586 1.00 0.00 N ATOM 1285 CA GLY A 93 9.842 30.016 -12.785 1.00 0.00 C ATOM 1286 C GLY A 93 9.228 30.672 -14.026 1.00 0.00 C ATOM 1287 O GLY A 93 9.938 30.877 -15.009 1.00 0.00 O ATOM 0 H GLY A 93 8.595 29.186 -11.337 1.00 0.00 H new ATOM 0 HA2 GLY A 93 10.799 30.493 -12.575 1.00 0.00 H new ATOM 0 HA3 GLY A 93 10.049 28.970 -13.009 1.00 0.00 H new ATOM 1291 N ALA A 94 7.930 31.001 -13.995 1.00 0.00 N ATOM 1292 CA ALA A 94 7.215 31.619 -15.104 1.00 0.00 C ATOM 1293 C ALA A 94 7.450 33.138 -15.135 1.00 0.00 C ATOM 1294 O ALA A 94 8.557 33.592 -14.847 1.00 0.00 O ATOM 1295 CB ALA A 94 5.735 31.257 -14.990 1.00 0.00 C ATOM 0 H ALA A 94 7.341 30.839 -13.178 1.00 0.00 H new ATOM 0 HA ALA A 94 7.593 31.239 -16.053 1.00 0.00 H new ATOM 0 HB1 ALA A 94 5.185 31.712 -15.813 1.00 0.00 H new ATOM 0 HB2 ALA A 94 5.621 30.174 -15.032 1.00 0.00 H new ATOM 0 HB3 ALA A 94 5.342 31.626 -14.043 1.00 0.00 H new ATOM 1301 N SER A 95 6.418 33.926 -15.477 1.00 0.00 N ATOM 1302 CA SER A 95 6.495 35.375 -15.565 1.00 0.00 C ATOM 1303 C SER A 95 5.125 35.990 -15.265 1.00 0.00 C ATOM 1304 O SER A 95 4.290 36.146 -16.155 1.00 0.00 O ATOM 1305 CB SER A 95 7.012 35.783 -16.949 1.00 0.00 C ATOM 1306 OG SER A 95 7.121 37.188 -17.036 1.00 0.00 O ATOM 0 H SER A 95 5.494 33.557 -15.702 1.00 0.00 H new ATOM 0 HA SER A 95 7.197 35.753 -14.822 1.00 0.00 H new ATOM 0 HB2 SER A 95 7.984 35.324 -17.132 1.00 0.00 H new ATOM 0 HB3 SER A 95 6.335 35.415 -17.721 1.00 0.00 H new ATOM 0 HG SER A 95 7.454 37.436 -17.924 1.00 0.00 H new ATOM 1312 N GLY A 96 4.907 36.322 -13.989 1.00 0.00 N ATOM 1313 CA GLY A 96 3.692 36.945 -13.485 1.00 0.00 C ATOM 1314 C GLY A 96 2.545 35.949 -13.321 1.00 0.00 C ATOM 1315 O GLY A 96 2.555 35.144 -12.390 1.00 0.00 O ATOM 0 H GLY A 96 5.599 36.156 -13.258 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.901 37.414 -12.524 1.00 0.00 H new ATOM 0 HA3 GLY A 96 3.385 37.738 -14.167 1.00 0.00 H new ATOM 1319 N ASN A 97 1.557 36.007 -14.224 1.00 0.00 N ATOM 1320 CA ASN A 97 0.383 35.142 -14.201 1.00 0.00 C ATOM 1321 C ASN A 97 0.699 33.762 -14.774 1.00 0.00 C ATOM 1322 O ASN A 97 0.112 32.771 -14.340 1.00 0.00 O ATOM 1323 CB ASN A 97 -0.749 35.802 -15.003 1.00 0.00 C ATOM 1324 CG ASN A 97 -2.050 34.993 -14.960 1.00 0.00 C ATOM 1325 OD1 ASN A 97 -2.359 34.359 -13.954 1.00 0.00 O ATOM 1326 ND2 ASN A 97 -2.821 35.001 -16.052 1.00 0.00 N ATOM 0 H ASN A 97 1.557 36.668 -15.001 1.00 0.00 H new ATOM 0 HA ASN A 97 0.071 35.007 -13.165 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -0.934 36.801 -14.609 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -0.433 35.921 -16.040 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -3.692 34.471 -16.065 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -2.538 35.537 -16.872 1.00 0.00 H new ATOM 1333 N ASN A 98 1.620 33.698 -15.746 1.00 0.00 N ATOM 1334 CA ASN A 98 2.028 32.468 -16.411 1.00 0.00 C ATOM 1335 C ASN A 98 2.493 31.407 -15.405 1.00 0.00 C ATOM 1336 O ASN A 98 2.823 31.723 -14.262 1.00 0.00 O ATOM 1337 CB ASN A 98 3.112 32.782 -17.452 1.00 0.00 C ATOM 1338 CG ASN A 98 2.577 33.658 -18.584 1.00 0.00 C ATOM 1339 OD1 ASN A 98 2.078 33.142 -19.582 1.00 0.00 O ATOM 1340 ND2 ASN A 98 2.684 34.982 -18.440 1.00 0.00 N ATOM 0 H ASN A 98 2.109 34.523 -16.094 1.00 0.00 H new ATOM 0 HA ASN A 98 1.165 32.045 -16.925 1.00 0.00 H new ATOM 0 HB2 ASN A 98 3.947 33.287 -16.966 1.00 0.00 H new ATOM 0 HB3 ASN A 98 3.499 31.851 -17.865 1.00 0.00 H new ATOM 0 HD21 ASN A 98 2.345 35.604 -19.174 1.00 0.00 H new ATOM 0 HD22 ASN A 98 3.105 35.371 -17.596 1.00 0.00 H new ATOM 1347 N PHE A 99 2.502 30.144 -15.849 1.00 0.00 N ATOM 1348 CA PHE A 99 2.884 28.979 -15.062 1.00 0.00 C ATOM 1349 C PHE A 99 3.994 28.151 -15.723 1.00 0.00 C ATOM 1350 O PHE A 99 4.278 28.287 -16.912 1.00 0.00 O ATOM 1351 CB PHE A 99 1.648 28.080 -14.915 1.00 0.00 C ATOM 1352 CG PHE A 99 0.821 28.370 -13.687 1.00 0.00 C ATOM 1353 CD1 PHE A 99 1.193 27.772 -12.474 1.00 0.00 C ATOM 1354 CD2 PHE A 99 -0.308 29.208 -13.740 1.00 0.00 C ATOM 1355 CE1 PHE A 99 0.447 28.001 -11.312 1.00 0.00 C ATOM 1356 CE2 PHE A 99 -1.058 29.441 -12.574 1.00 0.00 C ATOM 1357 CZ PHE A 99 -0.678 28.838 -11.361 1.00 0.00 C ATOM 0 H PHE A 99 2.232 29.903 -16.803 1.00 0.00 H new ATOM 0 HA PHE A 99 3.261 29.336 -14.103 1.00 0.00 H new ATOM 0 HB2 PHE A 99 1.020 28.195 -15.799 1.00 0.00 H new ATOM 0 HB3 PHE A 99 1.970 27.039 -14.886 1.00 0.00 H new ATOM 0 HD1 PHE A 99 2.061 27.130 -12.436 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.597 29.670 -14.672 1.00 0.00 H new ATOM 0 HE1 PHE A 99 0.736 27.535 -10.381 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -1.926 30.083 -12.609 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.254 29.020 -10.465 1.00 0.00 H new ATOM 1367 N VAL A 100 4.609 27.296 -14.895 1.00 0.00 N ATOM 1368 CA VAL A 100 5.663 26.338 -15.210 1.00 0.00 C ATOM 1369 C VAL A 100 5.408 25.110 -14.336 1.00 0.00 C ATOM 1370 O VAL A 100 4.638 25.185 -13.383 1.00 0.00 O ATOM 1371 CB VAL A 100 7.080 26.881 -14.964 1.00 0.00 C ATOM 1372 CG1 VAL A 100 7.510 27.861 -16.056 1.00 0.00 C ATOM 1373 CG2 VAL A 100 7.238 27.480 -13.566 1.00 0.00 C ATOM 0 H VAL A 100 4.357 27.258 -13.907 1.00 0.00 H new ATOM 0 HA VAL A 100 5.627 26.106 -16.274 1.00 0.00 H new ATOM 0 HB VAL A 100 7.755 26.027 -15.014 1.00 0.00 H new ATOM 0 HG11 VAL A 100 8.517 28.222 -15.845 1.00 0.00 H new ATOM 0 HG12 VAL A 100 7.500 27.356 -17.022 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.820 28.704 -16.080 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.256 27.850 -13.441 1.00 0.00 H new ATOM 0 HG22 VAL A 100 6.535 28.304 -13.442 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.036 26.714 -12.817 1.00 0.00 H new ATOM 1383 N GLY A 101 6.060 23.988 -14.649 1.00 0.00 N ATOM 1384 CA GLY A 101 5.891 22.736 -13.921 1.00 0.00 C ATOM 1385 C GLY A 101 6.903 22.547 -12.792 1.00 0.00 C ATOM 1386 O GLY A 101 7.972 23.154 -12.805 1.00 0.00 O ATOM 0 H GLY A 101 6.724 23.926 -15.421 1.00 0.00 H new ATOM 0 HA2 GLY A 101 4.884 22.699 -13.506 1.00 0.00 H new ATOM 0 HA3 GLY A 101 5.978 21.904 -14.620 1.00 0.00 H new ATOM 1390 N CYS A 102 6.539 21.702 -11.814 1.00 0.00 N ATOM 1391 CA CYS A 102 7.361 21.344 -10.661 1.00 0.00 C ATOM 1392 C CYS A 102 7.654 19.847 -10.764 1.00 0.00 C ATOM 1393 O CYS A 102 7.019 19.162 -11.562 1.00 0.00 O ATOM 1394 CB CYS A 102 6.679 21.660 -9.323 1.00 0.00 C ATOM 1395 SG CYS A 102 6.054 23.344 -9.088 1.00 0.00 S ATOM 0 H CYS A 102 5.631 21.236 -11.810 1.00 0.00 H new ATOM 0 HA CYS A 102 8.276 21.936 -10.678 1.00 0.00 H new ATOM 0 HB2 CYS A 102 5.845 20.970 -9.198 1.00 0.00 H new ATOM 0 HB3 CYS A 102 7.390 21.449 -8.524 1.00 0.00 H new ATOM 1400 N SER A 103 8.596 19.325 -9.964 1.00 0.00 N ATOM 1401 CA SER A 103 8.961 17.909 -10.006 1.00 0.00 C ATOM 1402 C SER A 103 9.511 17.571 -11.392 1.00 0.00 C ATOM 1403 O SER A 103 9.994 18.442 -12.116 1.00 0.00 O ATOM 1404 CB SER A 103 7.754 17.022 -9.624 1.00 0.00 C ATOM 1405 OG SER A 103 7.114 17.492 -8.462 1.00 0.00 O ATOM 0 H SER A 103 9.119 19.869 -9.278 1.00 0.00 H new ATOM 0 HA SER A 103 9.741 17.708 -9.272 1.00 0.00 H new ATOM 0 HB2 SER A 103 7.042 17.000 -10.449 1.00 0.00 H new ATOM 0 HB3 SER A 103 8.090 15.997 -9.466 1.00 0.00 H new ATOM 0 HG SER A 103 7.505 17.059 -7.675 1.00 0.00 H new ATOM 1411 N GLY A 104 9.445 16.286 -11.743 1.00 0.00 N ATOM 1412 CA GLY A 104 9.870 15.761 -13.032 1.00 0.00 C ATOM 1413 C GLY A 104 9.057 16.374 -14.181 1.00 0.00 C ATOM 1414 O GLY A 104 9.499 16.347 -15.328 1.00 0.00 O ATOM 0 H GLY A 104 9.084 15.565 -11.118 1.00 0.00 H new ATOM 0 HA2 GLY A 104 10.929 15.971 -13.181 1.00 0.00 H new ATOM 0 HA3 GLY A 104 9.756 14.677 -13.041 1.00 0.00 H new ATOM 1418 N THR A 105 7.877 16.935 -13.869 1.00 0.00 N ATOM 1419 CA THR A 105 6.983 17.578 -14.817 1.00 0.00 C ATOM 1420 C THR A 105 7.495 18.988 -15.111 1.00 0.00 C ATOM 1421 O THR A 105 8.046 19.656 -14.236 1.00 0.00 O ATOM 1422 CB THR A 105 5.565 17.624 -14.212 1.00 0.00 C ATOM 1423 OG1 THR A 105 5.029 16.319 -14.170 1.00 0.00 O ATOM 1424 CG2 THR A 105 4.609 18.539 -14.981 1.00 0.00 C ATOM 0 H THR A 105 7.517 16.948 -12.915 1.00 0.00 H new ATOM 0 HA THR A 105 6.949 17.019 -15.752 1.00 0.00 H new ATOM 0 HB THR A 105 5.664 18.038 -13.208 1.00 0.00 H new ATOM 0 HG1 THR A 105 4.129 16.347 -13.784 1.00 0.00 H new ATOM 0 HG21 THR A 105 3.629 18.526 -14.503 1.00 0.00 H new ATOM 0 HG22 THR A 105 5.000 19.557 -14.980 1.00 0.00 H new ATOM 0 HG23 THR A 105 4.516 18.187 -16.008 1.00 0.00 H new ATOM 1432 N ASN A 106 7.316 19.422 -16.364 1.00 0.00 N ATOM 1433 CA ASN A 106 7.705 20.734 -16.862 1.00 0.00 C ATOM 1434 C ASN A 106 6.573 21.302 -17.721 1.00 0.00 C ATOM 1435 O ASN A 106 5.951 20.495 -18.451 1.00 0.00 O ATOM 1436 CB ASN A 106 9.045 20.650 -17.608 1.00 0.00 C ATOM 1437 CG ASN A 106 9.088 19.559 -18.679 1.00 0.00 C ATOM 1438 OD1 ASN A 106 9.601 18.469 -18.429 1.00 0.00 O ATOM 1439 ND2 ASN A 106 8.563 19.844 -19.873 1.00 0.00 N ATOM 1440 OXT ASN A 106 6.154 22.437 -17.409 1.00 0.00 O ATOM 0 H ASN A 106 6.879 18.843 -17.081 1.00 0.00 H new ATOM 0 HA ASN A 106 7.863 21.422 -16.032 1.00 0.00 H new ATOM 0 HB2 ASN A 106 9.251 21.613 -18.075 1.00 0.00 H new ATOM 0 HB3 ASN A 106 9.841 20.469 -16.886 1.00 0.00 H new ATOM 0 HD21 ASN A 106 8.578 19.146 -20.617 1.00 0.00 H new ATOM 0 HD22 ASN A 106 8.146 20.760 -20.042 1.00 0.00 H new