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 97 ASN : amide:sc= -0.256 X(o=-0.34,f=-0.087) USER MOD Set 1.2: A 98 ASN : amide:sc= -0.0858 K(o=-0.34,f=-2!) USER MOD Set 2.1: A 90 THR OG1 : rot -160:sc= 0 USER MOD Set 2.2: A 92 THR OG1 : rot 180:sc=0.000657 USER MOD Set 3.1: A 42 TYR OH : rot -137:sc= 0.782 USER MOD Set 3.2: A 44 ASN : amide:sc= 0.121 K(o=0.9,f=0.32) USER MOD Set 4.1: A 27 TYR OH : rot 180:sc= 1.03 USER MOD Set 4.2: A 41 THR OG1 : rot -60:sc= 1.23 USER MOD Set 5.1: A 4 THR OG1 : rot 56:sc= 0.947 USER MOD Set 5.2: A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 28:sc= 0.0674 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 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 10 ASN : amide:sc= -0.31 X(o=-0.31,f=-0.02) USER MOD Single : A 11 TYR OH : rot -104:sc= 1.15 USER MOD Single : A 12 SER OG : rot 180:sc= 0.192 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.383 K(o=-0.38,f=-1.5) USER MOD Single : A 21 ASN : amide:sc=-0.00243 K(o=-0.0024,f=-0.82) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0.12) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.0649 X(o=-0.065,f=-0.065) USER MOD Single : A 29 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 46:sc= 0.0958 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0534 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -0.993 X(o=-0.99,f=-0.75) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=-0.27) 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 57 GLN : amide:sc= -1.94 K(o=-1.9,f=-3.7!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -132:sc= 1.03 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= 0.427 K(o=0.43,f=-1.6) USER MOD Single : A 81 THR OG1 : rot -22:sc= 0.259 USER MOD Single : A 82 ASN : amide:sc= -0.272 K(o=-0.27,f=-2.8!) USER MOD Single : A 91 HIS : no HD1:sc= -0.378 K(o=-0.38,f=-3.2!) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot -178:sc= 0.754 USER MOD Single : A 106 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD ----------------------------------------------------------------- ATOM 15 N SER A 2 3.816 11.513 -5.786 1.00 0.00 N ATOM 16 CA SER A 2 5.253 11.615 -5.569 1.00 0.00 C ATOM 17 C SER A 2 5.602 13.052 -5.178 1.00 0.00 C ATOM 18 O SER A 2 4.748 13.937 -5.222 1.00 0.00 O ATOM 19 CB SER A 2 5.990 11.208 -6.852 1.00 0.00 C ATOM 20 OG SER A 2 5.700 9.867 -7.186 1.00 0.00 O ATOM 0 HA SER A 2 5.560 10.948 -4.764 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.696 11.864 -7.671 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.064 11.331 -6.715 1.00 0.00 H new ATOM 0 HG SER A 2 4.815 9.627 -6.839 1.00 0.00 H new ATOM 26 N ALA A 3 6.866 13.287 -4.800 1.00 0.00 N ATOM 27 CA ALA A 3 7.353 14.597 -4.395 1.00 0.00 C ATOM 28 C ALA A 3 7.399 15.546 -5.588 1.00 0.00 C ATOM 29 O ALA A 3 7.405 15.111 -6.739 1.00 0.00 O ATOM 30 CB ALA A 3 8.743 14.463 -3.769 1.00 0.00 C ATOM 0 H ALA A 3 7.581 12.560 -4.769 1.00 0.00 H new ATOM 0 HA ALA A 3 6.668 15.012 -3.656 1.00 0.00 H new ATOM 0 HB1 ALA A 3 9.103 15.447 -3.468 1.00 0.00 H new ATOM 0 HB2 ALA A 3 8.687 13.814 -2.895 1.00 0.00 H new ATOM 0 HB3 ALA A 3 9.430 14.033 -4.498 1.00 0.00 H new ATOM 36 N THR A 4 7.423 16.852 -5.300 1.00 0.00 N ATOM 37 CA THR A 4 7.478 17.877 -6.323 1.00 0.00 C ATOM 38 C THR A 4 8.164 19.118 -5.760 1.00 0.00 C ATOM 39 O THR A 4 7.936 19.480 -4.610 1.00 0.00 O ATOM 40 CB THR A 4 6.066 18.145 -6.869 1.00 0.00 C ATOM 41 OG1 THR A 4 6.170 18.761 -8.128 1.00 0.00 O ATOM 42 CG2 THR A 4 5.191 19.025 -5.969 1.00 0.00 C ATOM 0 H THR A 4 7.405 17.218 -4.348 1.00 0.00 H new ATOM 0 HA THR A 4 8.076 17.546 -7.172 1.00 0.00 H new ATOM 0 HB THR A 4 5.577 17.172 -6.923 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.707 18.198 -8.724 1.00 0.00 H new ATOM 0 HG21 THR A 4 4.214 19.161 -6.432 1.00 0.00 H new ATOM 0 HG22 THR A 4 5.069 18.544 -4.998 1.00 0.00 H new ATOM 0 HG23 THR A 4 5.668 19.996 -5.835 1.00 0.00 H new ATOM 50 N THR A 5 9.016 19.765 -6.561 1.00 0.00 N ATOM 51 CA THR A 5 9.733 20.956 -6.199 1.00 0.00 C ATOM 52 C THR A 5 9.199 22.016 -7.155 1.00 0.00 C ATOM 53 O THR A 5 9.544 22.042 -8.336 1.00 0.00 O ATOM 54 CB THR A 5 11.239 20.658 -6.268 1.00 0.00 C ATOM 55 OG1 THR A 5 11.693 20.261 -4.990 1.00 0.00 O ATOM 56 CG2 THR A 5 12.057 21.845 -6.752 1.00 0.00 C ATOM 0 H THR A 5 9.221 19.450 -7.509 1.00 0.00 H new ATOM 0 HA THR A 5 9.589 21.317 -5.181 1.00 0.00 H new ATOM 0 HB THR A 5 11.378 19.858 -6.995 1.00 0.00 H new ATOM 0 HG1 THR A 5 12.653 20.068 -5.029 1.00 0.00 H new ATOM 0 HG21 THR A 5 13.112 21.573 -6.779 1.00 0.00 H new ATOM 0 HG22 THR A 5 11.729 22.129 -7.752 1.00 0.00 H new ATOM 0 HG23 THR A 5 11.917 22.685 -6.072 1.00 0.00 H new ATOM 64 N CYS A 6 8.335 22.882 -6.621 1.00 0.00 N ATOM 65 CA CYS A 6 7.707 23.954 -7.364 1.00 0.00 C ATOM 66 C CYS A 6 8.593 25.192 -7.258 1.00 0.00 C ATOM 67 O CYS A 6 8.357 26.077 -6.436 1.00 0.00 O ATOM 68 CB CYS A 6 6.274 24.152 -6.854 1.00 0.00 C ATOM 69 SG CYS A 6 5.081 22.883 -7.392 1.00 0.00 S ATOM 0 H CYS A 6 8.053 22.849 -5.641 1.00 0.00 H new ATOM 0 HA CYS A 6 7.614 23.722 -8.425 1.00 0.00 H new ATOM 0 HB2 CYS A 6 6.292 24.173 -5.764 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.918 25.127 -7.186 1.00 0.00 H new ATOM 74 N GLY A 7 9.620 25.221 -8.118 1.00 0.00 N ATOM 75 CA GLY A 7 10.608 26.281 -8.198 1.00 0.00 C ATOM 76 C GLY A 7 11.509 26.207 -6.972 1.00 0.00 C ATOM 77 O GLY A 7 12.290 25.267 -6.834 1.00 0.00 O ATOM 0 H GLY A 7 9.783 24.477 -8.796 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.200 26.177 -9.108 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.116 27.252 -8.247 1.00 0.00 H new ATOM 81 N SER A 8 11.393 27.201 -6.086 1.00 0.00 N ATOM 82 CA SER A 8 12.154 27.285 -4.850 1.00 0.00 C ATOM 83 C SER A 8 11.409 26.546 -3.736 1.00 0.00 C ATOM 84 O SER A 8 12.023 25.807 -2.968 1.00 0.00 O ATOM 85 CB SER A 8 12.371 28.759 -4.486 1.00 0.00 C ATOM 86 OG SER A 8 13.133 28.861 -3.304 1.00 0.00 O ATOM 0 H SER A 8 10.752 27.983 -6.217 1.00 0.00 H new ATOM 0 HA SER A 8 13.128 26.814 -4.979 1.00 0.00 H new ATOM 0 HB2 SER A 8 12.881 29.271 -5.302 1.00 0.00 H new ATOM 0 HB3 SER A 8 11.409 29.253 -4.351 1.00 0.00 H new ATOM 0 HG SER A 8 13.267 29.806 -3.082 1.00 0.00 H new ATOM 92 N THR A 9 10.086 26.743 -3.662 1.00 0.00 N ATOM 93 CA THR A 9 9.218 26.138 -2.663 1.00 0.00 C ATOM 94 C THR A 9 9.095 24.634 -2.927 1.00 0.00 C ATOM 95 O THR A 9 8.417 24.221 -3.867 1.00 0.00 O ATOM 96 CB THR A 9 7.854 26.845 -2.687 1.00 0.00 C ATOM 97 OG1 THR A 9 8.033 28.247 -2.703 1.00 0.00 O ATOM 98 CG2 THR A 9 7.032 26.482 -1.448 1.00 0.00 C ATOM 0 H THR A 9 9.584 27.344 -4.316 1.00 0.00 H new ATOM 0 HA THR A 9 9.642 26.259 -1.666 1.00 0.00 H new ATOM 0 HB THR A 9 7.328 26.520 -3.584 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.158 28.688 -2.720 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.070 26.994 -1.486 1.00 0.00 H new ATOM 0 HG22 THR A 9 6.869 25.405 -1.423 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.571 26.789 -0.551 1.00 0.00 H new ATOM 106 N ASN A 10 9.755 23.823 -2.089 1.00 0.00 N ATOM 107 CA ASN A 10 9.766 22.369 -2.198 1.00 0.00 C ATOM 108 C ASN A 10 8.574 21.732 -1.481 1.00 0.00 C ATOM 109 O ASN A 10 7.979 22.342 -0.594 1.00 0.00 O ATOM 110 CB ASN A 10 11.099 21.804 -1.691 1.00 0.00 C ATOM 111 CG ASN A 10 11.276 21.982 -0.183 1.00 0.00 C ATOM 112 OD1 ASN A 10 10.968 21.076 0.588 1.00 0.00 O ATOM 113 ND2 ASN A 10 11.780 23.146 0.237 1.00 0.00 N ATOM 0 H ASN A 10 10.305 24.172 -1.304 1.00 0.00 H new ATOM 0 HA ASN A 10 9.667 22.113 -3.253 1.00 0.00 H new ATOM 0 HB2 ASN A 10 11.158 20.744 -1.938 1.00 0.00 H new ATOM 0 HB3 ASN A 10 11.920 22.298 -2.211 1.00 0.00 H new ATOM 0 HD21 ASN A 10 11.923 23.310 1.234 1.00 0.00 H new ATOM 0 HD22 ASN A 10 12.022 23.871 -0.439 1.00 0.00 H new ATOM 120 N TYR A 11 8.232 20.499 -1.886 1.00 0.00 N ATOM 121 CA TYR A 11 7.133 19.719 -1.329 1.00 0.00 C ATOM 122 C TYR A 11 7.493 18.233 -1.292 1.00 0.00 C ATOM 123 O TYR A 11 8.043 17.692 -2.250 1.00 0.00 O ATOM 124 CB TYR A 11 5.850 19.965 -2.133 1.00 0.00 C ATOM 125 CG TYR A 11 5.365 21.389 -2.002 1.00 0.00 C ATOM 126 CD1 TYR A 11 4.617 21.727 -0.869 1.00 0.00 C ATOM 127 CD2 TYR A 11 5.655 22.367 -2.973 1.00 0.00 C ATOM 128 CE1 TYR A 11 4.159 23.035 -0.687 1.00 0.00 C ATOM 129 CE2 TYR A 11 5.194 23.683 -2.792 1.00 0.00 C ATOM 130 CZ TYR A 11 4.454 24.018 -1.642 1.00 0.00 C ATOM 131 OH TYR A 11 4.009 25.290 -1.444 1.00 0.00 O ATOM 0 H TYR A 11 8.730 20.010 -2.630 1.00 0.00 H new ATOM 0 HA TYR A 11 6.955 20.041 -0.303 1.00 0.00 H new ATOM 0 HB2 TYR A 11 6.032 19.739 -3.184 1.00 0.00 H new ATOM 0 HB3 TYR A 11 5.071 19.284 -1.790 1.00 0.00 H new ATOM 0 HD1 TYR A 11 4.392 20.972 -0.130 1.00 0.00 H new ATOM 0 HD2 TYR A 11 6.228 22.108 -3.851 1.00 0.00 H new ATOM 0 HE1 TYR A 11 3.579 23.288 0.188 1.00 0.00 H new ATOM 0 HE2 TYR A 11 5.408 24.437 -3.535 1.00 0.00 H new ATOM 0 HH TYR A 11 3.238 25.461 -2.025 1.00 0.00 H new ATOM 141 N SER A 12 7.160 17.582 -0.170 1.00 0.00 N ATOM 142 CA SER A 12 7.399 16.166 0.083 1.00 0.00 C ATOM 143 C SER A 12 6.337 15.337 -0.604 1.00 0.00 C ATOM 144 O SER A 12 5.238 15.822 -0.850 1.00 0.00 O ATOM 145 CB SER A 12 7.382 15.919 1.596 1.00 0.00 C ATOM 146 OG SER A 12 7.539 14.544 1.882 1.00 0.00 O ATOM 0 H SER A 12 6.700 18.049 0.611 1.00 0.00 H new ATOM 0 HA SER A 12 8.371 15.876 -0.315 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.182 16.487 2.071 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.443 16.278 2.017 1.00 0.00 H new ATOM 0 HG SER A 12 7.527 14.408 2.852 1.00 0.00 H new ATOM 152 N ALA A 13 6.671 14.082 -0.928 1.00 0.00 N ATOM 153 CA ALA A 13 5.708 13.177 -1.529 1.00 0.00 C ATOM 154 C ALA A 13 4.586 12.962 -0.510 1.00 0.00 C ATOM 155 O ALA A 13 3.495 12.544 -0.881 1.00 0.00 O ATOM 156 CB ALA A 13 6.370 11.840 -1.869 1.00 0.00 C ATOM 0 H ALA A 13 7.597 13.680 -0.782 1.00 0.00 H new ATOM 0 HA ALA A 13 5.316 13.599 -2.455 1.00 0.00 H new ATOM 0 HB1 ALA A 13 5.634 11.174 -2.319 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.186 12.006 -2.572 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.762 11.386 -0.959 1.00 0.00 H new ATOM 162 N SER A 14 4.866 13.265 0.768 1.00 0.00 N ATOM 163 CA SER A 14 3.916 13.143 1.858 1.00 0.00 C ATOM 164 C SER A 14 2.970 14.347 1.823 1.00 0.00 C ATOM 165 O SER A 14 1.774 14.200 2.060 1.00 0.00 O ATOM 166 CB SER A 14 4.672 13.073 3.190 1.00 0.00 C ATOM 167 OG SER A 14 5.572 11.986 3.184 1.00 0.00 O ATOM 0 H SER A 14 5.780 13.607 1.066 1.00 0.00 H new ATOM 0 HA SER A 14 3.329 12.230 1.753 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.215 14.003 3.357 1.00 0.00 H new ATOM 0 HB3 SER A 14 3.965 12.964 4.012 1.00 0.00 H new ATOM 0 HG SER A 14 6.050 11.952 4.039 1.00 0.00 H new ATOM 173 N GLN A 15 3.518 15.530 1.511 1.00 0.00 N ATOM 174 CA GLN A 15 2.810 16.798 1.437 1.00 0.00 C ATOM 175 C GLN A 15 1.893 16.839 0.209 1.00 0.00 C ATOM 176 O GLN A 15 0.726 17.208 0.318 1.00 0.00 O ATOM 177 CB GLN A 15 3.843 17.928 1.532 1.00 0.00 C ATOM 178 CG GLN A 15 3.188 19.275 1.842 1.00 0.00 C ATOM 179 CD GLN A 15 4.191 20.334 2.303 1.00 0.00 C ATOM 180 OE1 GLN A 15 5.377 20.058 2.477 1.00 0.00 O ATOM 181 NE2 GLN A 15 3.709 21.565 2.491 1.00 0.00 N ATOM 0 H GLN A 15 4.511 15.624 1.295 1.00 0.00 H new ATOM 0 HA GLN A 15 2.125 16.930 2.275 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.570 17.691 2.308 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.391 17.999 0.593 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.671 19.635 0.953 1.00 0.00 H new ATOM 0 HG3 GLN A 15 2.433 19.136 2.616 1.00 0.00 H new ATOM 0 HE21 GLN A 15 2.719 21.754 2.336 1.00 0.00 H new ATOM 0 HE22 GLN A 15 4.331 22.316 2.789 1.00 0.00 H new ATOM 190 N VAL A 16 2.435 16.470 -0.956 1.00 0.00 N ATOM 191 CA VAL A 16 1.738 16.382 -2.236 1.00 0.00 C ATOM 192 C VAL A 16 0.586 15.385 -2.068 1.00 0.00 C ATOM 193 O VAL A 16 -0.537 15.666 -2.479 1.00 0.00 O ATOM 194 CB VAL A 16 2.683 15.900 -3.351 1.00 0.00 C ATOM 195 CG1 VAL A 16 1.917 15.708 -4.667 1.00 0.00 C ATOM 196 CG2 VAL A 16 3.769 16.949 -3.587 1.00 0.00 C ATOM 0 H VAL A 16 3.419 16.213 -1.032 1.00 0.00 H new ATOM 0 HA VAL A 16 1.368 17.367 -2.521 1.00 0.00 H new ATOM 0 HB VAL A 16 3.120 14.951 -3.039 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.604 15.367 -5.441 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.132 14.965 -4.526 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.470 16.655 -4.970 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.439 16.608 -4.377 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.307 17.890 -3.884 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.337 17.098 -2.669 1.00 0.00 H new ATOM 206 N ARG A 17 0.877 14.222 -1.459 1.00 0.00 N ATOM 207 CA ARG A 17 -0.090 13.157 -1.221 1.00 0.00 C ATOM 208 C ARG A 17 -1.183 13.603 -0.256 1.00 0.00 C ATOM 209 O ARG A 17 -2.338 13.248 -0.458 1.00 0.00 O ATOM 210 CB ARG A 17 0.605 11.889 -0.709 1.00 0.00 C ATOM 211 CG ARG A 17 -0.396 10.763 -0.418 1.00 0.00 C ATOM 212 CD ARG A 17 0.306 9.445 -0.072 1.00 0.00 C ATOM 213 NE ARG A 17 1.055 8.887 -1.208 1.00 0.00 N ATOM 214 CZ ARG A 17 0.511 8.251 -2.260 1.00 0.00 C ATOM 215 NH1 ARG A 17 -0.819 8.123 -2.381 1.00 0.00 N ATOM 216 NH2 ARG A 17 1.309 7.730 -3.203 1.00 0.00 N ATOM 0 H ARG A 17 1.811 14.000 -1.115 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.564 12.924 -2.174 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.329 11.548 -1.449 1.00 0.00 H new ATOM 0 HB3 ARG A 17 1.162 12.122 0.198 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.042 11.057 0.409 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -1.037 10.615 -1.287 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.988 9.609 0.762 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -0.436 8.719 0.261 1.00 0.00 H new ATOM 0 HE ARG A 17 2.070 8.991 -1.197 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -1.436 8.512 -1.668 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -1.213 7.637 -3.186 1.00 0.00 H new ATOM 0 HH21 ARG A 17 2.322 7.818 -3.119 1.00 0.00 H new ATOM 0 HH22 ARG A 17 0.903 7.246 -4.004 1.00 0.00 H new ATOM 230 N ALA A 18 -0.836 14.363 0.790 1.00 0.00 N ATOM 231 CA ALA A 18 -1.820 14.850 1.750 1.00 0.00 C ATOM 232 C ALA A 18 -2.801 15.779 1.032 1.00 0.00 C ATOM 233 O ALA A 18 -4.014 15.586 1.107 1.00 0.00 O ATOM 234 CB ALA A 18 -1.125 15.557 2.916 1.00 0.00 C ATOM 0 H ALA A 18 0.122 14.652 0.989 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.377 14.011 2.167 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.874 15.914 3.623 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.456 14.858 3.418 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.550 16.402 2.538 1.00 0.00 H new ATOM 240 N ALA A 19 -2.252 16.774 0.325 1.00 0.00 N ATOM 241 CA ALA A 19 -3.001 17.760 -0.437 1.00 0.00 C ATOM 242 C ALA A 19 -3.882 17.084 -1.487 1.00 0.00 C ATOM 243 O ALA A 19 -5.003 17.527 -1.728 1.00 0.00 O ATOM 244 CB ALA A 19 -2.014 18.733 -1.089 1.00 0.00 C ATOM 0 H ALA A 19 -1.243 16.913 0.271 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.663 18.311 0.231 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.564 19.478 -1.664 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.429 19.231 -0.316 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.346 18.184 -1.752 1.00 0.00 H new ATOM 250 N ALA A 20 -3.375 16.005 -2.099 1.00 0.00 N ATOM 251 CA ALA A 20 -4.093 15.275 -3.127 1.00 0.00 C ATOM 252 C ALA A 20 -5.231 14.455 -2.558 1.00 0.00 C ATOM 253 O ALA A 20 -6.349 14.580 -3.047 1.00 0.00 O ATOM 254 CB ALA A 20 -3.143 14.433 -3.979 1.00 0.00 C ATOM 0 H ALA A 20 -2.454 15.622 -1.888 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.549 16.013 -3.787 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.713 13.899 -4.739 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.414 15.084 -4.462 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.624 13.715 -3.344 1.00 0.00 H new ATOM 260 N ASN A 21 -4.960 13.632 -1.543 1.00 0.00 N ATOM 261 CA ASN A 21 -5.974 12.828 -0.883 1.00 0.00 C ATOM 262 C ASN A 21 -7.035 13.753 -0.268 1.00 0.00 C ATOM 263 O ASN A 21 -8.142 13.297 0.018 1.00 0.00 O ATOM 264 CB ASN A 21 -5.331 11.928 0.186 1.00 0.00 C ATOM 265 CG ASN A 21 -4.343 10.904 -0.384 1.00 0.00 C ATOM 266 OD1 ASN A 21 -4.215 10.747 -1.597 1.00 0.00 O ATOM 267 ND2 ASN A 21 -3.634 10.201 0.504 1.00 0.00 N ATOM 0 H ASN A 21 -4.023 13.508 -1.158 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.458 12.179 -1.612 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.813 12.555 0.912 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.118 11.400 0.725 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.959 9.507 0.183 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -3.767 10.359 1.503 1.00 0.00 H new ATOM 274 N ALA A 22 -6.724 15.051 -0.083 1.00 0.00 N ATOM 275 CA ALA A 22 -7.661 15.993 0.518 1.00 0.00 C ATOM 276 C ALA A 22 -8.643 16.403 -0.577 1.00 0.00 C ATOM 277 O ALA A 22 -9.842 16.123 -0.491 1.00 0.00 O ATOM 278 CB ALA A 22 -6.908 17.178 1.130 1.00 0.00 C ATOM 0 H ALA A 22 -5.828 15.462 -0.345 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.216 15.545 1.342 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.621 17.872 1.574 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.225 16.817 1.899 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.341 17.689 0.352 1.00 0.00 H new ATOM 284 N ALA A 23 -8.107 17.080 -1.600 1.00 0.00 N ATOM 285 CA ALA A 23 -8.824 17.535 -2.788 1.00 0.00 C ATOM 286 C ALA A 23 -9.749 16.430 -3.313 1.00 0.00 C ATOM 287 O ALA A 23 -10.927 16.659 -3.576 1.00 0.00 O ATOM 288 CB ALA A 23 -7.781 17.878 -3.852 1.00 0.00 C ATOM 0 H ALA A 23 -7.119 17.334 -1.619 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.437 18.403 -2.546 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.283 18.223 -4.756 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -7.126 18.665 -3.479 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.190 16.991 -4.081 1.00 0.00 H new ATOM 294 N CYS A 24 -9.171 15.230 -3.443 1.00 0.00 N ATOM 295 CA CYS A 24 -9.773 13.985 -3.890 1.00 0.00 C ATOM 296 C CYS A 24 -10.996 13.628 -3.049 1.00 0.00 C ATOM 297 O CYS A 24 -12.059 13.339 -3.596 1.00 0.00 O ATOM 298 CB CYS A 24 -8.704 12.890 -3.741 1.00 0.00 C ATOM 299 SG CYS A 24 -9.230 11.159 -3.645 1.00 0.00 S ATOM 0 H CYS A 24 -8.185 15.103 -3.216 1.00 0.00 H new ATOM 0 HA CYS A 24 -10.106 14.082 -4.923 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -8.020 12.980 -4.585 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -8.130 13.110 -2.841 1.00 0.00 H new ATOM 304 N GLN A 25 -10.839 13.663 -1.721 1.00 0.00 N ATOM 305 CA GLN A 25 -11.883 13.318 -0.776 1.00 0.00 C ATOM 306 C GLN A 25 -13.049 14.307 -0.754 1.00 0.00 C ATOM 307 O GLN A 25 -14.127 13.915 -0.319 1.00 0.00 O ATOM 308 CB GLN A 25 -11.239 13.139 0.606 1.00 0.00 C ATOM 309 CG GLN A 25 -12.206 12.660 1.695 1.00 0.00 C ATOM 310 CD GLN A 25 -11.440 12.289 2.964 1.00 0.00 C ATOM 311 OE1 GLN A 25 -10.980 13.166 3.693 1.00 0.00 O ATOM 312 NE2 GLN A 25 -11.296 10.987 3.230 1.00 0.00 N ATOM 0 H GLN A 25 -9.964 13.938 -1.275 1.00 0.00 H new ATOM 0 HA GLN A 25 -12.342 12.383 -1.096 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.421 12.424 0.523 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -10.802 14.088 0.916 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -12.931 13.443 1.916 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -12.768 11.797 1.337 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -11.693 10.291 2.599 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -10.789 10.690 4.064 1.00 0.00 H new ATOM 321 N TYR A 26 -12.866 15.561 -1.197 1.00 0.00 N ATOM 322 CA TYR A 26 -13.953 16.555 -1.178 1.00 0.00 C ATOM 323 C TYR A 26 -14.552 16.946 -2.546 1.00 0.00 C ATOM 324 O TYR A 26 -15.671 17.453 -2.582 1.00 0.00 O ATOM 325 CB TYR A 26 -13.513 17.802 -0.385 1.00 0.00 C ATOM 326 CG TYR A 26 -12.549 17.549 0.761 1.00 0.00 C ATOM 327 CD1 TYR A 26 -12.818 16.548 1.713 1.00 0.00 C ATOM 328 CD2 TYR A 26 -11.382 18.323 0.879 1.00 0.00 C ATOM 329 CE1 TYR A 26 -11.917 16.309 2.763 1.00 0.00 C ATOM 330 CE2 TYR A 26 -10.483 18.088 1.932 1.00 0.00 C ATOM 331 CZ TYR A 26 -10.746 17.079 2.875 1.00 0.00 C ATOM 332 OH TYR A 26 -9.864 16.842 3.889 1.00 0.00 O ATOM 0 H TYR A 26 -11.983 15.910 -1.570 1.00 0.00 H new ATOM 0 HA TYR A 26 -14.780 16.051 -0.677 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -13.049 18.505 -1.077 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -14.403 18.288 0.014 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -13.721 15.961 1.636 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -11.176 19.100 0.158 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -12.124 15.533 3.485 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -9.587 18.684 2.018 1.00 0.00 H new ATOM 0 HH TYR A 26 -9.109 17.463 3.818 1.00 0.00 H new ATOM 342 N TYR A 27 -13.866 16.716 -3.674 1.00 0.00 N ATOM 343 CA TYR A 27 -14.341 17.104 -5.005 1.00 0.00 C ATOM 344 C TYR A 27 -15.510 16.289 -5.571 1.00 0.00 C ATOM 345 O TYR A 27 -16.402 16.874 -6.183 1.00 0.00 O ATOM 346 CB TYR A 27 -13.153 17.092 -5.979 1.00 0.00 C ATOM 347 CG TYR A 27 -13.476 17.386 -7.433 1.00 0.00 C ATOM 348 CD1 TYR A 27 -14.178 18.554 -7.811 1.00 0.00 C ATOM 349 CD2 TYR A 27 -13.071 16.470 -8.423 1.00 0.00 C ATOM 350 CE1 TYR A 27 -14.487 18.787 -9.165 1.00 0.00 C ATOM 351 CE2 TYR A 27 -13.389 16.706 -9.770 1.00 0.00 C ATOM 352 CZ TYR A 27 -14.102 17.853 -10.145 1.00 0.00 C ATOM 353 OH TYR A 27 -14.402 18.043 -11.462 1.00 0.00 O ATOM 0 H TYR A 27 -12.958 16.251 -3.686 1.00 0.00 H new ATOM 0 HA TYR A 27 -14.758 18.104 -4.887 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -12.421 17.823 -5.636 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -12.675 16.114 -5.925 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -14.478 19.269 -7.059 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -12.516 15.586 -8.146 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -15.019 19.682 -9.451 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -13.081 15.997 -10.524 1.00 0.00 H new ATOM 0 HH TYR A 27 -14.054 17.293 -11.988 1.00 0.00 H new ATOM 363 N GLN A 28 -15.513 14.964 -5.378 1.00 0.00 N ATOM 364 CA GLN A 28 -16.557 14.082 -5.910 1.00 0.00 C ATOM 365 C GLN A 28 -17.395 13.381 -4.843 1.00 0.00 C ATOM 366 O GLN A 28 -18.555 13.067 -5.108 1.00 0.00 O ATOM 367 CB GLN A 28 -15.932 13.047 -6.855 1.00 0.00 C ATOM 368 CG GLN A 28 -15.582 13.642 -8.226 1.00 0.00 C ATOM 369 CD GLN A 28 -16.827 13.947 -9.061 1.00 0.00 C ATOM 370 OE1 GLN A 28 -17.419 13.041 -9.644 1.00 0.00 O ATOM 371 NE2 GLN A 28 -17.224 15.222 -9.129 1.00 0.00 N ATOM 0 H GLN A 28 -14.792 14.474 -4.849 1.00 0.00 H new ATOM 0 HA GLN A 28 -17.249 14.728 -6.451 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -15.030 12.640 -6.398 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -16.625 12.216 -6.989 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -15.008 14.558 -8.086 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -14.944 12.945 -8.770 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -16.705 15.945 -8.630 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -18.046 15.472 -9.680 1.00 0.00 H new ATOM 380 N ASN A 29 -16.841 13.130 -3.654 1.00 0.00 N ATOM 381 CA ASN A 29 -17.554 12.450 -2.589 1.00 0.00 C ATOM 382 C ASN A 29 -18.693 13.327 -2.072 1.00 0.00 C ATOM 383 O ASN A 29 -19.850 12.919 -2.134 1.00 0.00 O ATOM 384 CB ASN A 29 -16.557 12.102 -1.481 1.00 0.00 C ATOM 385 CG ASN A 29 -17.159 11.326 -0.311 1.00 0.00 C ATOM 386 OD1 ASN A 29 -18.202 10.686 -0.439 1.00 0.00 O ATOM 387 ND2 ASN A 29 -16.486 11.387 0.842 1.00 0.00 N ATOM 0 H ASN A 29 -15.887 13.395 -3.411 1.00 0.00 H new ATOM 0 HA ASN A 29 -18.003 11.529 -2.960 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -15.745 11.515 -1.911 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -16.118 13.025 -1.102 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -16.833 10.890 1.662 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -15.625 11.930 0.902 1.00 0.00 H new ATOM 394 N ASP A 30 -18.339 14.525 -1.585 1.00 0.00 N ATOM 395 CA ASP A 30 -19.196 15.552 -1.010 1.00 0.00 C ATOM 396 C ASP A 30 -18.263 16.576 -0.367 1.00 0.00 C ATOM 397 O ASP A 30 -17.546 16.248 0.579 1.00 0.00 O ATOM 398 CB ASP A 30 -20.158 15.010 0.069 1.00 0.00 C ATOM 399 CG ASP A 30 -21.487 14.483 -0.470 1.00 0.00 C ATOM 400 OD1 ASP A 30 -22.040 15.128 -1.387 1.00 0.00 O ATOM 401 OD2 ASP A 30 -21.939 13.442 0.054 1.00 0.00 O ATOM 0 H ASP A 30 -17.362 14.817 -1.587 1.00 0.00 H new ATOM 0 HA ASP A 30 -19.822 15.971 -1.798 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -19.658 14.208 0.613 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -20.362 15.804 0.787 1.00 0.00 H new ATOM 406 N ASP A 31 -18.268 17.805 -0.894 1.00 0.00 N ATOM 407 CA ASP A 31 -17.468 18.916 -0.396 1.00 0.00 C ATOM 408 C ASP A 31 -17.738 19.135 1.093 1.00 0.00 C ATOM 409 O ASP A 31 -18.896 19.261 1.494 1.00 0.00 O ATOM 410 CB ASP A 31 -17.711 20.182 -1.232 1.00 0.00 C ATOM 411 CG ASP A 31 -19.169 20.636 -1.228 1.00 0.00 C ATOM 412 OD1 ASP A 31 -19.955 20.043 -1.999 1.00 0.00 O ATOM 413 OD2 ASP A 31 -19.475 21.572 -0.455 1.00 0.00 O ATOM 0 H ASP A 31 -18.844 18.055 -1.698 1.00 0.00 H new ATOM 0 HA ASP A 31 -16.411 18.671 -0.501 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -17.085 20.988 -0.849 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -17.398 19.997 -2.259 1.00 0.00 H new ATOM 418 N THR A 32 -16.670 19.168 1.903 1.00 0.00 N ATOM 419 CA THR A 32 -16.756 19.343 3.347 1.00 0.00 C ATOM 420 C THR A 32 -15.752 20.367 3.877 1.00 0.00 C ATOM 421 O THR A 32 -16.143 21.286 4.596 1.00 0.00 O ATOM 422 CB THR A 32 -16.715 17.998 4.088 1.00 0.00 C ATOM 423 OG1 THR A 32 -16.665 18.211 5.484 1.00 0.00 O ATOM 424 CG2 THR A 32 -15.535 17.131 3.664 1.00 0.00 C ATOM 0 H THR A 32 -15.713 19.072 1.562 1.00 0.00 H new ATOM 0 HA THR A 32 -17.735 19.773 3.561 1.00 0.00 H new ATOM 0 HB THR A 32 -17.628 17.464 3.823 1.00 0.00 H new ATOM 0 HG1 THR A 32 -16.641 17.347 5.946 1.00 0.00 H new ATOM 0 HG21 THR A 32 -15.555 16.193 4.219 1.00 0.00 H new ATOM 0 HG22 THR A 32 -15.602 16.923 2.596 1.00 0.00 H new ATOM 0 HG23 THR A 32 -14.603 17.657 3.874 1.00 0.00 H new ATOM 432 N ALA A 33 -14.469 20.224 3.527 1.00 0.00 N ATOM 433 CA ALA A 33 -13.421 21.127 3.978 1.00 0.00 C ATOM 434 C ALA A 33 -13.548 22.491 3.288 1.00 0.00 C ATOM 435 O ALA A 33 -14.375 22.651 2.390 1.00 0.00 O ATOM 436 CB ALA A 33 -12.068 20.473 3.698 1.00 0.00 C ATOM 0 H ALA A 33 -14.134 19.475 2.921 1.00 0.00 H new ATOM 0 HA ALA A 33 -13.514 21.308 5.049 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -11.268 21.135 4.029 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -12.003 19.527 4.236 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -11.967 20.289 2.628 1.00 0.00 H new ATOM 442 N GLY A 34 -12.740 23.475 3.713 1.00 0.00 N ATOM 443 CA GLY A 34 -12.728 24.819 3.144 1.00 0.00 C ATOM 444 C GLY A 34 -12.090 24.737 1.760 1.00 0.00 C ATOM 445 O GLY A 34 -10.909 25.027 1.599 1.00 0.00 O ATOM 0 H GLY A 34 -12.070 23.351 4.472 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -13.742 25.213 3.074 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -12.166 25.499 3.784 1.00 0.00 H new ATOM 449 N SER A 35 -12.888 24.353 0.761 1.00 0.00 N ATOM 450 CA SER A 35 -12.465 24.153 -0.606 1.00 0.00 C ATOM 451 C SER A 35 -13.743 24.017 -1.437 1.00 0.00 C ATOM 452 O SER A 35 -14.356 22.951 -1.448 1.00 0.00 O ATOM 453 CB SER A 35 -11.605 22.873 -0.629 1.00 0.00 C ATOM 454 OG SER A 35 -12.159 21.846 0.170 1.00 0.00 O ATOM 0 H SER A 35 -13.882 24.169 0.899 1.00 0.00 H new ATOM 0 HA SER A 35 -11.868 24.970 -1.012 1.00 0.00 H new ATOM 0 HB2 SER A 35 -11.508 22.520 -1.656 1.00 0.00 H new ATOM 0 HB3 SER A 35 -10.600 23.105 -0.275 1.00 0.00 H new ATOM 0 HG SER A 35 -13.121 21.779 -0.004 1.00 0.00 H new ATOM 460 N SER A 36 -14.130 25.094 -2.133 1.00 0.00 N ATOM 461 CA SER A 36 -15.344 25.145 -2.952 1.00 0.00 C ATOM 462 C SER A 36 -15.000 25.646 -4.348 1.00 0.00 C ATOM 463 O SER A 36 -15.358 25.013 -5.341 1.00 0.00 O ATOM 464 CB SER A 36 -16.408 26.011 -2.267 1.00 0.00 C ATOM 465 OG SER A 36 -15.920 27.311 -2.006 1.00 0.00 O ATOM 0 H SER A 36 -13.600 25.965 -2.142 1.00 0.00 H new ATOM 0 HA SER A 36 -15.764 24.144 -3.055 1.00 0.00 H new ATOM 0 HB2 SER A 36 -17.293 26.073 -2.900 1.00 0.00 H new ATOM 0 HB3 SER A 36 -16.716 25.541 -1.333 1.00 0.00 H new ATOM 0 HG SER A 36 -16.619 27.842 -1.571 1.00 0.00 H new ATOM 471 N THR A 37 -14.289 26.778 -4.414 1.00 0.00 N ATOM 472 CA THR A 37 -13.846 27.376 -5.660 1.00 0.00 C ATOM 473 C THR A 37 -12.594 26.630 -6.163 1.00 0.00 C ATOM 474 O THR A 37 -12.114 26.904 -7.262 1.00 0.00 O ATOM 475 CB THR A 37 -13.605 28.883 -5.453 1.00 0.00 C ATOM 476 OG1 THR A 37 -12.970 29.131 -4.214 1.00 0.00 O ATOM 477 CG2 THR A 37 -14.934 29.642 -5.471 1.00 0.00 C ATOM 0 H THR A 37 -14.006 27.304 -3.587 1.00 0.00 H new ATOM 0 HA THR A 37 -14.612 27.281 -6.430 1.00 0.00 H new ATOM 0 HB THR A 37 -12.964 29.225 -6.266 1.00 0.00 H new ATOM 0 HG1 THR A 37 -12.826 30.095 -4.107 1.00 0.00 H new ATOM 0 HG21 THR A 37 -14.748 30.706 -5.323 1.00 0.00 H new ATOM 0 HG22 THR A 37 -15.427 29.490 -6.431 1.00 0.00 H new ATOM 0 HG23 THR A 37 -15.575 29.272 -4.671 1.00 0.00 H new ATOM 485 N TYR A 38 -12.065 25.698 -5.353 1.00 0.00 N ATOM 486 CA TYR A 38 -10.926 24.832 -5.605 1.00 0.00 C ATOM 487 C TYR A 38 -11.130 23.658 -4.665 1.00 0.00 C ATOM 488 O TYR A 38 -11.222 23.899 -3.467 1.00 0.00 O ATOM 489 CB TYR A 38 -9.566 25.473 -5.261 1.00 0.00 C ATOM 490 CG TYR A 38 -9.282 26.751 -6.008 1.00 0.00 C ATOM 491 CD1 TYR A 38 -9.943 27.904 -5.573 1.00 0.00 C ATOM 492 CD2 TYR A 38 -8.403 26.812 -7.109 1.00 0.00 C ATOM 493 CE1 TYR A 38 -9.763 29.119 -6.229 1.00 0.00 C ATOM 494 CE2 TYR A 38 -8.214 28.036 -7.772 1.00 0.00 C ATOM 495 CZ TYR A 38 -8.898 29.191 -7.338 1.00 0.00 C ATOM 496 OH TYR A 38 -8.725 30.378 -7.990 1.00 0.00 O ATOM 0 H TYR A 38 -12.465 25.525 -4.431 1.00 0.00 H new ATOM 0 HA TYR A 38 -10.888 24.583 -6.666 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -9.532 25.675 -4.190 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -8.774 24.756 -5.475 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -10.601 27.851 -4.718 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -7.880 25.926 -7.439 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -10.284 30.002 -5.889 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -7.543 28.093 -8.616 1.00 0.00 H new ATOM 0 HH TYR A 38 -8.096 30.255 -8.731 1.00 0.00 H new ATOM 506 N PRO A 39 -11.216 22.414 -5.152 1.00 0.00 N ATOM 507 CA PRO A 39 -11.138 22.005 -6.544 1.00 0.00 C ATOM 508 C PRO A 39 -12.199 22.551 -7.500 1.00 0.00 C ATOM 509 O PRO A 39 -13.345 22.789 -7.124 1.00 0.00 O ATOM 510 CB PRO A 39 -11.207 20.477 -6.526 1.00 0.00 C ATOM 511 CG PRO A 39 -10.763 20.120 -5.114 1.00 0.00 C ATOM 512 CD PRO A 39 -11.381 21.249 -4.306 1.00 0.00 C ATOM 0 HA PRO A 39 -10.215 22.424 -6.945 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -12.215 20.118 -6.733 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -10.551 20.036 -7.277 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -11.133 19.143 -4.803 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -9.677 20.095 -5.020 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -12.432 21.057 -4.091 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -10.877 21.377 -3.348 1.00 0.00 H new ATOM 520 N HIS A 40 -11.747 22.736 -8.746 1.00 0.00 N ATOM 521 CA HIS A 40 -12.480 23.211 -9.904 1.00 0.00 C ATOM 522 C HIS A 40 -12.025 22.328 -11.061 1.00 0.00 C ATOM 523 O HIS A 40 -10.834 22.050 -11.188 1.00 0.00 O ATOM 524 CB HIS A 40 -12.131 24.678 -10.211 1.00 0.00 C ATOM 525 CG HIS A 40 -13.219 25.664 -9.870 1.00 0.00 C ATOM 526 ND1 HIS A 40 -13.448 26.800 -10.630 1.00 0.00 N ATOM 527 CD2 HIS A 40 -14.154 25.713 -8.865 1.00 0.00 C ATOM 528 CE1 HIS A 40 -14.470 27.462 -10.063 1.00 0.00 C ATOM 529 NE2 HIS A 40 -14.953 26.845 -8.984 1.00 0.00 N ATOM 0 H HIS A 40 -10.774 22.537 -8.980 1.00 0.00 H new ATOM 0 HA HIS A 40 -13.556 23.162 -9.737 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -11.229 24.947 -9.661 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -11.896 24.768 -11.272 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -14.255 24.971 -8.086 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -14.860 28.396 -10.441 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -15.727 27.135 -8.386 1.00 0.00 H new ATOM 537 N THR A 41 -12.967 21.879 -11.897 1.00 0.00 N ATOM 538 CA THR A 41 -12.716 21.054 -13.048 1.00 0.00 C ATOM 539 C THR A 41 -11.720 21.744 -13.981 1.00 0.00 C ATOM 540 O THR A 41 -11.911 22.901 -14.350 1.00 0.00 O ATOM 541 CB THR A 41 -14.075 20.826 -13.713 1.00 0.00 C ATOM 542 OG1 THR A 41 -15.020 20.400 -12.760 1.00 0.00 O ATOM 543 CG2 THR A 41 -13.943 19.753 -14.775 1.00 0.00 C ATOM 0 H THR A 41 -13.956 22.097 -11.772 1.00 0.00 H new ATOM 0 HA THR A 41 -12.267 20.097 -12.781 1.00 0.00 H new ATOM 0 HB THR A 41 -14.406 21.763 -14.160 1.00 0.00 H new ATOM 0 HG1 THR A 41 -14.720 19.560 -12.354 1.00 0.00 H new ATOM 0 HG21 THR A 41 -14.911 19.590 -15.249 1.00 0.00 H new ATOM 0 HG22 THR A 41 -13.220 20.071 -15.526 1.00 0.00 H new ATOM 0 HG23 THR A 41 -13.603 18.825 -14.315 1.00 0.00 H new ATOM 551 N TYR A 42 -10.656 21.023 -14.350 1.00 0.00 N ATOM 552 CA TYR A 42 -9.587 21.509 -15.213 1.00 0.00 C ATOM 553 C TYR A 42 -10.022 21.448 -16.682 1.00 0.00 C ATOM 554 O TYR A 42 -9.636 20.545 -17.421 1.00 0.00 O ATOM 555 CB TYR A 42 -8.347 20.658 -14.931 1.00 0.00 C ATOM 556 CG TYR A 42 -7.043 21.139 -15.532 1.00 0.00 C ATOM 557 CD1 TYR A 42 -6.316 22.164 -14.900 1.00 0.00 C ATOM 558 CD2 TYR A 42 -6.540 20.554 -16.709 1.00 0.00 C ATOM 559 CE1 TYR A 42 -5.094 22.602 -15.435 1.00 0.00 C ATOM 560 CE2 TYR A 42 -5.324 20.999 -17.249 1.00 0.00 C ATOM 561 CZ TYR A 42 -4.595 22.016 -16.608 1.00 0.00 C ATOM 562 OH TYR A 42 -3.408 22.448 -17.118 1.00 0.00 O ATOM 0 H TYR A 42 -10.516 20.060 -14.046 1.00 0.00 H new ATOM 0 HA TYR A 42 -9.354 22.554 -15.009 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -8.219 20.590 -13.851 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -8.537 19.648 -15.294 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -6.700 22.617 -13.998 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -7.090 19.763 -17.196 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -4.539 23.388 -14.945 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -4.947 20.559 -18.160 1.00 0.00 H new ATOM 0 HH TYR A 42 -3.482 22.533 -18.091 1.00 0.00 H new ATOM 572 N ASN A 43 -10.835 22.423 -17.098 1.00 0.00 N ATOM 573 CA ASN A 43 -11.344 22.540 -18.458 1.00 0.00 C ATOM 574 C ASN A 43 -10.326 23.173 -19.414 1.00 0.00 C ATOM 575 O ASN A 43 -10.473 23.036 -20.627 1.00 0.00 O ATOM 576 CB ASN A 43 -12.630 23.377 -18.441 1.00 0.00 C ATOM 577 CG ASN A 43 -13.738 22.701 -17.637 1.00 0.00 C ATOM 578 OD1 ASN A 43 -13.956 23.031 -16.474 1.00 0.00 O ATOM 579 ND2 ASN A 43 -14.447 21.756 -18.261 1.00 0.00 N ATOM 0 H ASN A 43 -11.162 23.167 -16.481 1.00 0.00 H new ATOM 0 HA ASN A 43 -11.545 21.534 -18.826 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -12.419 24.358 -18.015 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -12.971 23.540 -19.463 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -15.203 21.278 -17.770 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -14.232 21.513 -19.228 1.00 0.00 H new ATOM 586 N ASN A 44 -9.300 23.855 -18.884 1.00 0.00 N ATOM 587 CA ASN A 44 -8.276 24.530 -19.670 1.00 0.00 C ATOM 588 C ASN A 44 -7.200 23.589 -20.215 1.00 0.00 C ATOM 589 O ASN A 44 -6.883 22.568 -19.604 1.00 0.00 O ATOM 590 CB ASN A 44 -7.636 25.632 -18.814 1.00 0.00 C ATOM 591 CG ASN A 44 -6.827 25.060 -17.649 1.00 0.00 C ATOM 592 OD1 ASN A 44 -7.399 24.597 -16.664 1.00 0.00 O ATOM 593 ND2 ASN A 44 -5.496 25.088 -17.764 1.00 0.00 N ATOM 0 H ASN A 44 -9.163 23.950 -17.878 1.00 0.00 H new ATOM 0 HA ASN A 44 -8.768 24.956 -20.544 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -6.987 26.245 -19.439 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -8.416 26.287 -18.426 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -4.912 24.715 -17.016 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -5.065 25.482 -18.600 1.00 0.00 H new ATOM 600 N TYR A 45 -6.648 23.966 -21.375 1.00 0.00 N ATOM 601 CA TYR A 45 -5.587 23.280 -22.096 1.00 0.00 C ATOM 602 C TYR A 45 -5.093 24.225 -23.196 1.00 0.00 C ATOM 603 O TYR A 45 -5.601 24.221 -24.315 1.00 0.00 O ATOM 604 CB TYR A 45 -5.992 21.881 -22.604 1.00 0.00 C ATOM 605 CG TYR A 45 -7.154 21.798 -23.579 1.00 0.00 C ATOM 606 CD1 TYR A 45 -8.477 21.804 -23.103 1.00 0.00 C ATOM 607 CD2 TYR A 45 -6.911 21.700 -24.962 1.00 0.00 C ATOM 608 CE1 TYR A 45 -9.552 21.734 -24.005 1.00 0.00 C ATOM 609 CE2 TYR A 45 -7.985 21.633 -25.865 1.00 0.00 C ATOM 610 CZ TYR A 45 -9.307 21.651 -25.387 1.00 0.00 C ATOM 611 OH TYR A 45 -10.352 21.582 -26.263 1.00 0.00 O ATOM 0 H TYR A 45 -6.954 24.810 -21.858 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.764 23.057 -21.417 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.121 21.431 -23.080 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -6.235 21.266 -21.738 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -8.667 21.863 -22.042 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.896 21.676 -25.330 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -10.567 21.744 -23.637 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -7.795 21.568 -26.926 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.008 21.531 -27.179 1.00 0.00 H new ATOM 621 N GLU A 46 -4.095 25.053 -22.861 1.00 0.00 N ATOM 622 CA GLU A 46 -3.492 26.018 -23.771 1.00 0.00 C ATOM 623 C GLU A 46 -2.030 26.225 -23.368 1.00 0.00 C ATOM 624 O GLU A 46 -1.586 27.348 -23.135 1.00 0.00 O ATOM 625 CB GLU A 46 -4.311 27.320 -23.797 1.00 0.00 C ATOM 626 CG GLU A 46 -4.615 27.874 -22.397 1.00 0.00 C ATOM 627 CD GLU A 46 -5.191 29.284 -22.479 1.00 0.00 C ATOM 628 OE1 GLU A 46 -4.375 30.229 -22.531 1.00 0.00 O ATOM 629 OE2 GLU A 46 -6.436 29.396 -22.486 1.00 0.00 O ATOM 0 H GLU A 46 -3.680 25.066 -21.929 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.503 25.643 -24.794 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -3.767 28.072 -24.368 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -5.250 27.140 -24.321 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -5.321 27.218 -21.888 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.703 27.884 -21.800 1.00 0.00 H new ATOM 636 N GLY A 47 -1.289 25.113 -23.306 1.00 0.00 N ATOM 637 CA GLY A 47 0.113 25.062 -22.931 1.00 0.00 C ATOM 638 C GLY A 47 0.301 23.906 -21.958 1.00 0.00 C ATOM 639 O GLY A 47 0.984 22.933 -22.274 1.00 0.00 O ATOM 0 H GLY A 47 -1.672 24.193 -23.526 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.738 24.922 -23.813 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.418 26.001 -22.470 1.00 0.00 H new ATOM 643 N PHE A 48 -0.324 24.023 -20.779 1.00 0.00 N ATOM 644 CA PHE A 48 -0.281 23.024 -19.724 1.00 0.00 C ATOM 645 C PHE A 48 -1.544 22.175 -19.733 1.00 0.00 C ATOM 646 O PHE A 48 -2.650 22.707 -19.805 1.00 0.00 O ATOM 647 CB PHE A 48 -0.089 23.700 -18.361 1.00 0.00 C ATOM 648 CG PHE A 48 1.375 23.796 -18.001 1.00 0.00 C ATOM 649 CD1 PHE A 48 1.989 22.719 -17.338 1.00 0.00 C ATOM 650 CD2 PHE A 48 2.118 24.941 -18.337 1.00 0.00 C ATOM 651 CE1 PHE A 48 3.358 22.790 -17.016 1.00 0.00 C ATOM 652 CE2 PHE A 48 3.482 25.012 -18.011 1.00 0.00 C ATOM 653 CZ PHE A 48 4.104 23.931 -17.363 1.00 0.00 C ATOM 0 H PHE A 48 -0.885 24.839 -20.535 1.00 0.00 H new ATOM 0 HA PHE A 48 0.568 22.365 -19.906 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -0.527 24.698 -18.382 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.619 23.135 -17.594 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.414 21.843 -17.077 1.00 0.00 H new ATOM 0 HD2 PHE A 48 1.640 25.765 -18.845 1.00 0.00 H new ATOM 0 HE1 PHE A 48 3.835 21.968 -16.503 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.052 25.896 -18.258 1.00 0.00 H new ATOM 0 HZ PHE A 48 5.158 23.976 -17.131 1.00 0.00 H new ATOM 663 N ASP A 49 -1.349 20.851 -19.651 1.00 0.00 N ATOM 664 CA ASP A 49 -2.381 19.826 -19.617 1.00 0.00 C ATOM 665 C ASP A 49 -1.728 18.452 -19.488 1.00 0.00 C ATOM 666 O ASP A 49 -0.580 18.270 -19.892 1.00 0.00 O ATOM 667 CB ASP A 49 -3.338 19.913 -20.817 1.00 0.00 C ATOM 668 CG ASP A 49 -2.605 20.001 -22.154 1.00 0.00 C ATOM 669 OD1 ASP A 49 -2.262 18.925 -22.690 1.00 0.00 O ATOM 670 OD2 ASP A 49 -2.400 21.146 -22.618 1.00 0.00 O ATOM 0 H ASP A 49 -0.411 20.453 -19.604 1.00 0.00 H new ATOM 0 HA ASP A 49 -3.007 19.995 -18.741 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.988 19.038 -20.821 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -3.980 20.787 -20.702 1.00 0.00 H new ATOM 675 N PHE A 50 -2.475 17.490 -18.923 1.00 0.00 N ATOM 676 CA PHE A 50 -2.017 16.125 -18.675 1.00 0.00 C ATOM 677 C PHE A 50 -2.958 15.129 -19.366 1.00 0.00 C ATOM 678 O PHE A 50 -4.072 14.926 -18.886 1.00 0.00 O ATOM 679 CB PHE A 50 -1.933 15.895 -17.151 1.00 0.00 C ATOM 680 CG PHE A 50 -1.453 17.136 -16.420 1.00 0.00 C ATOM 681 CD1 PHE A 50 -0.154 17.632 -16.646 1.00 0.00 C ATOM 682 CD2 PHE A 50 -2.310 17.801 -15.524 1.00 0.00 C ATOM 683 CE1 PHE A 50 0.282 18.793 -15.985 1.00 0.00 C ATOM 684 CE2 PHE A 50 -1.870 18.959 -14.866 1.00 0.00 C ATOM 685 CZ PHE A 50 -0.581 19.461 -15.100 1.00 0.00 C ATOM 0 H PHE A 50 -3.436 17.650 -18.621 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.023 15.970 -19.094 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.913 15.606 -16.772 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.255 15.067 -16.945 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.508 17.119 -17.328 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -3.305 17.421 -15.343 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.279 19.171 -16.157 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.527 19.467 -14.176 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.252 20.360 -14.600 1.00 0.00 H new ATOM 695 N PRO A 51 -2.546 14.513 -20.489 1.00 0.00 N ATOM 696 CA PRO A 51 -3.349 13.541 -21.212 1.00 0.00 C ATOM 697 C PRO A 51 -3.303 12.178 -20.510 1.00 0.00 C ATOM 698 O PRO A 51 -2.489 11.327 -20.868 1.00 0.00 O ATOM 699 CB PRO A 51 -2.738 13.504 -22.617 1.00 0.00 C ATOM 700 CG PRO A 51 -1.256 13.782 -22.366 1.00 0.00 C ATOM 701 CD PRO A 51 -1.276 14.731 -21.166 1.00 0.00 C ATOM 0 HA PRO A 51 -4.406 13.804 -21.253 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -2.890 12.537 -23.096 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -3.183 14.256 -23.269 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -0.706 12.867 -22.146 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -0.780 14.239 -23.233 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -0.440 14.528 -20.497 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -1.181 15.768 -21.489 1.00 0.00 H new ATOM 709 N VAL A 52 -4.172 11.984 -19.507 1.00 0.00 N ATOM 710 CA VAL A 52 -4.284 10.748 -18.738 1.00 0.00 C ATOM 711 C VAL A 52 -5.666 10.117 -18.917 1.00 0.00 C ATOM 712 O VAL A 52 -5.768 9.092 -19.590 1.00 0.00 O ATOM 713 CB VAL A 52 -3.908 10.953 -17.256 1.00 0.00 C ATOM 714 CG1 VAL A 52 -2.426 10.630 -17.042 1.00 0.00 C ATOM 715 CG2 VAL A 52 -4.190 12.363 -16.719 1.00 0.00 C ATOM 0 H VAL A 52 -4.830 12.703 -19.205 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.556 10.040 -19.134 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.549 10.271 -16.697 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.169 10.777 -15.993 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.236 9.593 -17.320 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.817 11.289 -17.661 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.896 12.419 -15.671 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.620 13.092 -17.295 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.254 12.581 -16.809 1.00 0.00 H new ATOM 725 N ASP A 53 -6.718 10.700 -18.323 1.00 0.00 N ATOM 726 CA ASP A 53 -8.075 10.173 -18.412 1.00 0.00 C ATOM 727 C ASP A 53 -9.087 11.276 -18.732 1.00 0.00 C ATOM 728 O ASP A 53 -9.349 11.531 -19.907 1.00 0.00 O ATOM 729 CB ASP A 53 -8.420 9.396 -17.131 1.00 0.00 C ATOM 730 CG ASP A 53 -7.592 8.118 -17.018 1.00 0.00 C ATOM 731 OD1 ASP A 53 -8.014 7.112 -17.627 1.00 0.00 O ATOM 732 OD2 ASP A 53 -6.550 8.169 -16.328 1.00 0.00 O ATOM 0 H ASP A 53 -6.644 11.552 -17.767 1.00 0.00 H new ATOM 0 HA ASP A 53 -8.130 9.472 -19.245 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.240 10.027 -16.261 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -9.481 9.146 -17.129 1.00 0.00 H new ATOM 737 N GLY A 54 -9.653 11.923 -17.705 1.00 0.00 N ATOM 738 CA GLY A 54 -10.654 12.972 -17.848 1.00 0.00 C ATOM 739 C GLY A 54 -11.938 12.530 -17.137 1.00 0.00 C ATOM 740 O GLY A 54 -12.382 11.403 -17.357 1.00 0.00 O ATOM 0 H GLY A 54 -9.418 11.723 -16.733 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -10.287 13.905 -17.419 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -10.853 13.162 -18.903 1.00 0.00 H new ATOM 744 N PRO A 55 -12.559 13.376 -16.298 1.00 0.00 N ATOM 745 CA PRO A 55 -12.164 14.740 -15.976 1.00 0.00 C ATOM 746 C PRO A 55 -10.908 14.774 -15.097 1.00 0.00 C ATOM 747 O PRO A 55 -10.317 13.741 -14.785 1.00 0.00 O ATOM 748 CB PRO A 55 -13.373 15.340 -15.246 1.00 0.00 C ATOM 749 CG PRO A 55 -14.011 14.132 -14.566 1.00 0.00 C ATOM 750 CD PRO A 55 -13.773 13.017 -15.581 1.00 0.00 C ATOM 0 HA PRO A 55 -11.905 15.306 -16.871 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -13.070 16.096 -14.521 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -14.063 15.822 -15.939 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -13.544 13.913 -13.606 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -15.073 14.287 -14.376 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -13.661 12.054 -15.083 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -14.617 12.926 -16.265 1.00 0.00 H new ATOM 758 N TYR A 56 -10.503 15.988 -14.719 1.00 0.00 N ATOM 759 CA TYR A 56 -9.359 16.286 -13.877 1.00 0.00 C ATOM 760 C TYR A 56 -9.789 17.438 -12.962 1.00 0.00 C ATOM 761 O TYR A 56 -10.874 17.991 -13.150 1.00 0.00 O ATOM 762 CB TYR A 56 -8.149 16.647 -14.756 1.00 0.00 C ATOM 763 CG TYR A 56 -8.178 16.171 -16.202 1.00 0.00 C ATOM 764 CD1 TYR A 56 -8.965 16.851 -17.154 1.00 0.00 C ATOM 765 CD2 TYR A 56 -7.423 15.051 -16.596 1.00 0.00 C ATOM 766 CE1 TYR A 56 -9.006 16.406 -18.485 1.00 0.00 C ATOM 767 CE2 TYR A 56 -7.462 14.608 -17.931 1.00 0.00 C ATOM 768 CZ TYR A 56 -8.260 15.280 -18.874 1.00 0.00 C ATOM 769 OH TYR A 56 -8.309 14.844 -20.166 1.00 0.00 O ATOM 0 H TYR A 56 -10.996 16.831 -15.012 1.00 0.00 H new ATOM 0 HA TYR A 56 -9.051 15.434 -13.272 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -8.044 17.732 -14.759 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -7.254 16.241 -14.284 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -9.538 17.717 -16.858 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -6.813 14.531 -15.873 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -9.611 16.929 -19.210 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -6.878 13.751 -18.232 1.00 0.00 H new ATOM 0 HH TYR A 56 -7.735 14.056 -20.267 1.00 0.00 H new ATOM 779 N GLN A 57 -8.960 17.825 -11.981 1.00 0.00 N ATOM 780 CA GLN A 57 -9.329 18.899 -11.059 1.00 0.00 C ATOM 781 C GLN A 57 -8.122 19.600 -10.432 1.00 0.00 C ATOM 782 O GLN A 57 -7.094 18.977 -10.171 1.00 0.00 O ATOM 783 CB GLN A 57 -10.303 18.357 -10.001 1.00 0.00 C ATOM 784 CG GLN A 57 -9.701 17.235 -9.140 1.00 0.00 C ATOM 785 CD GLN A 57 -9.331 17.691 -7.727 1.00 0.00 C ATOM 786 OE1 GLN A 57 -8.430 18.505 -7.547 1.00 0.00 O ATOM 787 NE2 GLN A 57 -10.019 17.159 -6.712 1.00 0.00 N ATOM 0 H GLN A 57 -8.042 17.414 -11.810 1.00 0.00 H new ATOM 0 HA GLN A 57 -9.832 19.675 -11.636 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -10.616 19.175 -9.352 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -11.198 17.984 -10.498 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -10.415 16.414 -9.074 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -8.811 16.845 -9.634 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -10.762 16.485 -6.897 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -9.801 17.427 -5.752 1.00 0.00 H new ATOM 796 N GLU A 58 -8.280 20.910 -10.191 1.00 0.00 N ATOM 797 CA GLU A 58 -7.289 21.814 -9.619 1.00 0.00 C ATOM 798 C GLU A 58 -7.226 21.720 -8.099 1.00 0.00 C ATOM 799 O GLU A 58 -8.185 21.300 -7.459 1.00 0.00 O ATOM 800 CB GLU A 58 -7.711 23.266 -9.924 1.00 0.00 C ATOM 801 CG GLU A 58 -7.344 23.739 -11.328 1.00 0.00 C ATOM 802 CD GLU A 58 -8.446 24.593 -11.951 1.00 0.00 C ATOM 803 OE1 GLU A 58 -8.496 25.796 -11.616 1.00 0.00 O ATOM 804 OE2 GLU A 58 -9.223 24.027 -12.751 1.00 0.00 O ATOM 0 H GLU A 58 -9.156 21.388 -10.405 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.326 21.540 -10.049 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.789 23.355 -9.792 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -7.245 23.929 -9.195 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -6.419 24.315 -11.286 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.153 22.874 -11.963 1.00 0.00 H new ATOM 811 N PHE A 59 -6.080 22.098 -7.523 1.00 0.00 N ATOM 812 CA PHE A 59 -5.895 22.136 -6.083 1.00 0.00 C ATOM 813 C PHE A 59 -4.700 23.036 -5.762 1.00 0.00 C ATOM 814 O PHE A 59 -3.560 22.602 -5.899 1.00 0.00 O ATOM 815 CB PHE A 59 -5.787 20.754 -5.451 1.00 0.00 C ATOM 816 CG PHE A 59 -6.085 20.818 -3.972 1.00 0.00 C ATOM 817 CD1 PHE A 59 -7.371 21.202 -3.541 1.00 0.00 C ATOM 818 CD2 PHE A 59 -5.092 20.510 -3.028 1.00 0.00 C ATOM 819 CE1 PHE A 59 -7.672 21.252 -2.174 1.00 0.00 C ATOM 820 CE2 PHE A 59 -5.394 20.564 -1.658 1.00 0.00 C ATOM 821 CZ PHE A 59 -6.684 20.922 -1.235 1.00 0.00 C ATOM 0 H PHE A 59 -5.256 22.386 -8.051 1.00 0.00 H new ATOM 0 HA PHE A 59 -6.790 22.562 -5.630 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -6.483 20.071 -5.938 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.785 20.354 -5.608 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -8.127 21.459 -4.268 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.101 20.233 -3.354 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -8.659 21.543 -1.845 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -4.633 20.330 -0.928 1.00 0.00 H new ATOM 0 HZ PHE A 59 -6.917 20.943 -0.181 1.00 0.00 H new ATOM 831 N PRO A 60 -4.923 24.278 -5.321 1.00 0.00 N ATOM 832 CA PRO A 60 -3.858 25.208 -5.044 1.00 0.00 C ATOM 833 C PRO A 60 -3.178 24.912 -3.701 1.00 0.00 C ATOM 834 O PRO A 60 -3.812 25.029 -2.654 1.00 0.00 O ATOM 835 CB PRO A 60 -4.526 26.569 -5.133 1.00 0.00 C ATOM 836 CG PRO A 60 -5.908 26.300 -4.543 1.00 0.00 C ATOM 837 CD PRO A 60 -6.204 24.887 -5.038 1.00 0.00 C ATOM 0 HA PRO A 60 -3.028 25.143 -5.748 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.983 27.325 -4.566 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -4.586 26.925 -6.162 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -5.903 26.357 -3.454 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -6.648 27.018 -4.897 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.747 24.317 -4.284 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.829 24.911 -5.931 1.00 0.00 H new ATOM 845 N ILE A 61 -1.889 24.531 -3.722 1.00 0.00 N ATOM 846 CA ILE A 61 -1.122 24.200 -2.532 1.00 0.00 C ATOM 847 C ILE A 61 -0.436 25.414 -1.953 1.00 0.00 C ATOM 848 O ILE A 61 -0.436 26.520 -2.490 1.00 0.00 O ATOM 849 CB ILE A 61 -0.158 23.038 -2.795 1.00 0.00 C ATOM 850 CG1 ILE A 61 0.708 22.391 -1.688 1.00 0.00 C ATOM 851 CG2 ILE A 61 0.556 23.131 -4.146 1.00 0.00 C ATOM 852 CD1 ILE A 61 0.974 20.911 -1.986 1.00 0.00 C ATOM 0 H ILE A 61 -1.352 24.446 -4.585 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.821 23.856 -1.769 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.925 22.264 -2.804 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.655 22.924 -1.606 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.204 22.486 -0.726 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.222 22.276 -4.265 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.182 23.131 -4.948 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.137 24.052 -4.188 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.585 20.484 -1.191 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.026 20.375 -2.043 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.500 20.820 -2.936 1.00 0.00 H new ATOM 864 N LYS A 62 0.136 25.101 -0.807 1.00 0.00 N ATOM 865 CA LYS A 62 0.907 26.006 0.036 1.00 0.00 C ATOM 866 C LYS A 62 1.812 25.256 1.012 1.00 0.00 C ATOM 867 O LYS A 62 1.500 24.135 1.420 1.00 0.00 O ATOM 868 CB LYS A 62 0.014 27.037 0.746 1.00 0.00 C ATOM 869 CG LYS A 62 -0.859 26.443 1.856 1.00 0.00 C ATOM 870 CD LYS A 62 -1.685 27.563 2.495 1.00 0.00 C ATOM 871 CE LYS A 62 -2.466 27.047 3.705 1.00 0.00 C ATOM 872 NZ LYS A 62 -3.270 28.119 4.312 1.00 0.00 N ATOM 0 H LYS A 62 0.075 24.161 -0.415 1.00 0.00 H new ATOM 0 HA LYS A 62 1.565 26.567 -0.628 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.645 27.817 1.172 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.630 27.515 0.008 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.517 25.676 1.447 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.235 25.960 2.608 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.026 28.375 2.802 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.377 27.974 1.760 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -3.117 26.228 3.399 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.773 26.644 4.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -3.790 27.742 5.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.644 28.889 4.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.946 28.485 3.611 1.00 0.00 H new ATOM 886 N SER A 63 2.929 25.895 1.390 1.00 0.00 N ATOM 887 CA SER A 63 3.931 25.356 2.299 1.00 0.00 C ATOM 888 C SER A 63 3.572 25.704 3.744 1.00 0.00 C ATOM 889 O SER A 63 4.339 26.361 4.446 1.00 0.00 O ATOM 890 CB SER A 63 5.319 25.872 1.889 1.00 0.00 C ATOM 891 OG SER A 63 6.329 25.239 2.645 1.00 0.00 O ATOM 0 H SER A 63 3.160 26.831 1.056 1.00 0.00 H new ATOM 0 HA SER A 63 3.954 24.268 2.236 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.482 25.687 0.827 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.370 26.951 2.036 1.00 0.00 H new ATOM 0 HG SER A 63 7.206 25.579 2.369 1.00 0.00 H new ATOM 897 N GLY A 64 2.387 25.261 4.181 1.00 0.00 N ATOM 898 CA GLY A 64 1.907 25.493 5.534 1.00 0.00 C ATOM 899 C GLY A 64 0.433 25.128 5.712 1.00 0.00 C ATOM 900 O GLY A 64 -0.260 25.790 6.484 1.00 0.00 O ATOM 0 H GLY A 64 1.738 24.731 3.599 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.508 24.910 6.232 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.050 26.543 5.790 1.00 0.00 H new ATOM 904 N GLY A 65 -0.047 24.087 5.015 1.00 0.00 N ATOM 905 CA GLY A 65 -1.427 23.627 5.110 1.00 0.00 C ATOM 906 C GLY A 65 -1.987 23.152 3.769 1.00 0.00 C ATOM 907 O GLY A 65 -1.324 23.230 2.734 1.00 0.00 O ATOM 0 H GLY A 65 0.521 23.542 4.367 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.485 22.812 5.832 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.049 24.436 5.492 1.00 0.00 H new ATOM 911 N VAL A 66 -3.229 22.655 3.827 1.00 0.00 N ATOM 912 CA VAL A 66 -4.008 22.146 2.707 1.00 0.00 C ATOM 913 C VAL A 66 -4.907 23.283 2.201 1.00 0.00 C ATOM 914 O VAL A 66 -5.375 24.095 2.999 1.00 0.00 O ATOM 915 CB VAL A 66 -4.790 20.908 3.191 1.00 0.00 C ATOM 916 CG1 VAL A 66 -5.768 20.355 2.153 1.00 0.00 C ATOM 917 CG2 VAL A 66 -3.820 19.776 3.560 1.00 0.00 C ATOM 0 H VAL A 66 -3.739 22.597 4.708 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.388 21.826 1.869 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.363 21.247 4.054 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.282 19.486 2.564 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.500 21.122 1.898 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.221 20.063 1.257 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.386 18.908 3.900 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.229 19.504 2.686 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.156 20.111 4.357 1.00 0.00 H new ATOM 927 N TYR A 67 -5.133 23.337 0.876 1.00 0.00 N ATOM 928 CA TYR A 67 -5.933 24.336 0.163 1.00 0.00 C ATOM 929 C TYR A 67 -5.452 25.774 0.400 1.00 0.00 C ATOM 930 O TYR A 67 -4.404 25.993 1.009 1.00 0.00 O ATOM 931 CB TYR A 67 -7.450 24.121 0.349 1.00 0.00 C ATOM 932 CG TYR A 67 -8.022 24.212 1.751 1.00 0.00 C ATOM 933 CD1 TYR A 67 -8.058 25.440 2.441 1.00 0.00 C ATOM 934 CD2 TYR A 67 -8.537 23.057 2.369 1.00 0.00 C ATOM 935 CE1 TYR A 67 -8.604 25.511 3.734 1.00 0.00 C ATOM 936 CE2 TYR A 67 -9.077 23.127 3.662 1.00 0.00 C ATOM 937 CZ TYR A 67 -9.116 24.354 4.345 1.00 0.00 C ATOM 938 OH TYR A 67 -9.654 24.422 5.598 1.00 0.00 O ATOM 0 H TYR A 67 -4.737 22.642 0.242 1.00 0.00 H new ATOM 0 HA TYR A 67 -5.761 24.174 -0.901 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -7.968 24.854 -0.270 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -7.698 23.136 -0.048 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -7.664 26.331 1.974 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -8.516 22.113 1.845 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -8.630 26.455 4.258 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -9.464 22.236 4.133 1.00 0.00 H new ATOM 0 HH TYR A 67 -9.962 23.532 5.870 1.00 0.00 H new ATOM 948 N THR A 68 -6.219 26.753 -0.099 1.00 0.00 N ATOM 949 CA THR A 68 -5.931 28.175 0.022 1.00 0.00 C ATOM 950 C THR A 68 -7.203 28.958 0.360 1.00 0.00 C ATOM 951 O THR A 68 -8.311 28.434 0.248 1.00 0.00 O ATOM 952 CB THR A 68 -5.281 28.669 -1.277 1.00 0.00 C ATOM 953 OG1 THR A 68 -4.621 29.896 -1.053 1.00 0.00 O ATOM 954 CG2 THR A 68 -6.336 28.851 -2.368 1.00 0.00 C ATOM 0 H THR A 68 -7.080 26.564 -0.612 1.00 0.00 H new ATOM 0 HA THR A 68 -5.232 28.341 0.842 1.00 0.00 H new ATOM 0 HB THR A 68 -4.557 27.922 -1.604 1.00 0.00 H new ATOM 0 HG1 THR A 68 -4.869 30.534 -1.755 1.00 0.00 H new ATOM 0 HG21 THR A 68 -5.857 29.202 -3.282 1.00 0.00 H new ATOM 0 HG22 THR A 68 -6.830 27.898 -2.559 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.075 29.583 -2.041 1.00 0.00 H new ATOM 962 N GLY A 69 -7.021 30.222 0.764 1.00 0.00 N ATOM 963 CA GLY A 69 -8.079 31.155 1.117 1.00 0.00 C ATOM 964 C GLY A 69 -7.932 32.405 0.253 1.00 0.00 C ATOM 965 O GLY A 69 -6.827 32.924 0.100 1.00 0.00 O ATOM 0 H GLY A 69 -6.091 30.631 0.855 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -9.056 30.698 0.958 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -8.017 31.416 2.174 1.00 0.00 H new ATOM 969 N GLY A 70 -9.045 32.880 -0.321 1.00 0.00 N ATOM 970 CA GLY A 70 -9.074 34.052 -1.183 1.00 0.00 C ATOM 971 C GLY A 70 -8.736 33.676 -2.624 1.00 0.00 C ATOM 972 O GLY A 70 -9.578 33.806 -3.511 1.00 0.00 O ATOM 0 H GLY A 70 -9.961 32.449 -0.193 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -10.061 34.512 -1.145 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -8.362 34.793 -0.820 1.00 0.00 H new ATOM 976 N SER A 71 -7.500 33.209 -2.849 1.00 0.00 N ATOM 977 CA SER A 71 -6.989 32.816 -4.155 1.00 0.00 C ATOM 978 C SER A 71 -5.708 31.988 -3.976 1.00 0.00 C ATOM 979 O SER A 71 -5.160 31.960 -2.874 1.00 0.00 O ATOM 980 CB SER A 71 -6.704 34.081 -4.980 1.00 0.00 C ATOM 981 OG SER A 71 -5.713 34.866 -4.346 1.00 0.00 O ATOM 0 H SER A 71 -6.815 33.094 -2.102 1.00 0.00 H new ATOM 0 HA SER A 71 -7.725 32.207 -4.679 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.373 33.804 -5.981 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.619 34.662 -5.096 1.00 0.00 H new ATOM 0 HG SER A 71 -5.539 35.668 -4.882 1.00 0.00 H new ATOM 987 N PRO A 72 -5.203 31.324 -5.034 1.00 0.00 N ATOM 988 CA PRO A 72 -3.868 30.729 -5.068 1.00 0.00 C ATOM 989 C PRO A 72 -2.755 31.764 -4.826 1.00 0.00 C ATOM 990 O PRO A 72 -3.030 32.910 -4.473 1.00 0.00 O ATOM 991 CB PRO A 72 -3.739 30.097 -6.461 1.00 0.00 C ATOM 992 CG PRO A 72 -5.185 29.868 -6.896 1.00 0.00 C ATOM 993 CD PRO A 72 -5.892 31.076 -6.289 1.00 0.00 C ATOM 0 HA PRO A 72 -3.752 29.996 -4.270 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -3.214 30.757 -7.152 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -3.180 29.162 -6.425 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.285 29.839 -7.981 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -5.582 28.928 -6.514 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -5.832 31.941 -6.949 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -6.950 30.873 -6.125 1.00 0.00 H new ATOM 1001 N GLY A 73 -1.488 31.372 -5.027 1.00 0.00 N ATOM 1002 CA GLY A 73 -0.336 32.230 -4.842 1.00 0.00 C ATOM 1003 C GLY A 73 0.529 32.007 -6.067 1.00 0.00 C ATOM 1004 O GLY A 73 0.863 32.953 -6.779 1.00 0.00 O ATOM 0 H GLY A 73 -1.244 30.429 -5.329 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -0.634 33.275 -4.755 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.202 31.975 -3.929 1.00 0.00 H new ATOM 1008 N ALA A 74 0.870 30.733 -6.302 1.00 0.00 N ATOM 1009 CA ALA A 74 1.676 30.315 -7.424 1.00 0.00 C ATOM 1010 C ALA A 74 1.578 28.808 -7.618 1.00 0.00 C ATOM 1011 O ALA A 74 1.078 28.375 -8.651 1.00 0.00 O ATOM 1012 CB ALA A 74 3.115 30.745 -7.175 1.00 0.00 C ATOM 0 H ALA A 74 0.582 29.962 -5.700 1.00 0.00 H new ATOM 0 HA ALA A 74 1.314 30.785 -8.338 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.738 30.436 -8.015 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.158 31.829 -7.071 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.481 30.278 -6.261 1.00 0.00 H new ATOM 1018 N ASP A 75 2.044 28.032 -6.628 1.00 0.00 N ATOM 1019 CA ASP A 75 2.073 26.575 -6.622 1.00 0.00 C ATOM 1020 C ASP A 75 0.690 25.925 -6.491 1.00 0.00 C ATOM 1021 O ASP A 75 -0.069 26.209 -5.561 1.00 0.00 O ATOM 1022 CB ASP A 75 3.050 26.093 -5.541 1.00 0.00 C ATOM 1023 CG ASP A 75 2.729 26.650 -4.157 1.00 0.00 C ATOM 1024 OD1 ASP A 75 3.028 27.843 -3.930 1.00 0.00 O ATOM 1025 OD2 ASP A 75 2.196 25.871 -3.343 1.00 0.00 O ATOM 0 H ASP A 75 2.428 28.430 -5.771 1.00 0.00 H new ATOM 0 HA ASP A 75 2.428 26.249 -7.600 1.00 0.00 H new ATOM 0 HB2 ASP A 75 3.031 25.004 -5.502 1.00 0.00 H new ATOM 0 HB3 ASP A 75 4.063 26.385 -5.818 1.00 0.00 H new ATOM 1030 N ARG A 76 0.380 25.030 -7.440 1.00 0.00 N ATOM 1031 CA ARG A 76 -0.878 24.309 -7.501 1.00 0.00 C ATOM 1032 C ARG A 76 -0.692 22.891 -8.036 1.00 0.00 C ATOM 1033 O ARG A 76 -0.112 22.710 -9.105 1.00 0.00 O ATOM 1034 CB ARG A 76 -1.877 25.014 -8.434 1.00 0.00 C ATOM 1035 CG ARG A 76 -2.075 26.515 -8.193 1.00 0.00 C ATOM 1036 CD ARG A 76 -3.370 26.989 -8.865 1.00 0.00 C ATOM 1037 NE ARG A 76 -3.371 26.734 -10.310 1.00 0.00 N ATOM 1038 CZ ARG A 76 -4.423 26.938 -11.120 1.00 0.00 C ATOM 1039 NH1 ARG A 76 -5.589 27.389 -10.634 1.00 0.00 N ATOM 1040 NH2 ARG A 76 -4.306 26.692 -12.432 1.00 0.00 N ATOM 0 H ARG A 76 1.018 24.789 -8.199 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.257 24.279 -6.479 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.546 24.872 -9.463 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.844 24.520 -8.339 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.116 26.717 -7.123 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.225 27.070 -8.590 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -4.220 26.483 -8.408 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.500 28.056 -8.686 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.512 26.377 -10.729 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -5.686 27.582 -9.637 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -6.379 27.539 -11.261 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.422 26.352 -12.810 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -5.101 26.845 -13.052 1.00 0.00 H new ATOM 1054 N VAL A 77 -1.175 21.894 -7.282 1.00 0.00 N ATOM 1055 CA VAL A 77 -1.137 20.498 -7.690 1.00 0.00 C ATOM 1056 C VAL A 77 -2.471 20.286 -8.402 1.00 0.00 C ATOM 1057 O VAL A 77 -3.478 20.906 -8.056 1.00 0.00 O ATOM 1058 CB VAL A 77 -0.907 19.497 -6.546 1.00 0.00 C ATOM 1059 CG1 VAL A 77 0.484 19.666 -5.926 1.00 0.00 C ATOM 1060 CG2 VAL A 77 -1.973 19.542 -5.449 1.00 0.00 C ATOM 0 H VAL A 77 -1.604 22.042 -6.368 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.277 20.303 -8.330 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.983 18.516 -7.014 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.614 18.943 -5.121 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.245 19.500 -6.689 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.584 20.675 -5.527 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.736 18.806 -4.681 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.995 20.537 -5.004 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.948 19.316 -5.880 1.00 0.00 H new ATOM 1070 N VAL A 78 -2.485 19.414 -9.406 1.00 0.00 N ATOM 1071 CA VAL A 78 -3.674 19.151 -10.203 1.00 0.00 C ATOM 1072 C VAL A 78 -3.772 17.627 -10.382 1.00 0.00 C ATOM 1073 O VAL A 78 -2.886 17.028 -10.995 1.00 0.00 O ATOM 1074 CB VAL A 78 -3.523 19.983 -11.497 1.00 0.00 C ATOM 1075 CG1 VAL A 78 -4.652 19.748 -12.507 1.00 0.00 C ATOM 1076 CG2 VAL A 78 -3.422 21.498 -11.184 1.00 0.00 C ATOM 0 H VAL A 78 -1.670 18.870 -9.688 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.619 19.453 -9.752 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.596 19.639 -11.955 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.483 20.363 -13.391 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.670 18.697 -12.794 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.607 20.017 -12.055 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.317 22.056 -12.115 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.324 21.823 -10.666 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.554 21.682 -10.551 1.00 0.00 H new ATOM 1086 N ILE A 79 -4.840 17.008 -9.833 1.00 0.00 N ATOM 1087 CA ILE A 79 -5.076 15.562 -9.879 1.00 0.00 C ATOM 1088 C ILE A 79 -5.884 15.127 -11.112 1.00 0.00 C ATOM 1089 O ILE A 79 -6.254 15.956 -11.942 1.00 0.00 O ATOM 1090 CB ILE A 79 -5.612 15.013 -8.531 1.00 0.00 C ATOM 1091 CG1 ILE A 79 -7.117 15.229 -8.333 1.00 0.00 C ATOM 1092 CG2 ILE A 79 -4.876 15.620 -7.328 1.00 0.00 C ATOM 1093 CD1 ILE A 79 -7.659 14.517 -7.088 1.00 0.00 C ATOM 0 H ILE A 79 -5.572 17.516 -9.337 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.105 15.084 -10.013 1.00 0.00 H new ATOM 0 HB ILE A 79 -5.423 13.941 -8.583 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.319 16.297 -8.252 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.650 14.869 -9.213 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -5.284 15.207 -6.406 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.814 15.382 -7.393 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -5.006 16.702 -7.330 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.729 14.705 -6.998 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -7.485 13.445 -7.177 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -7.149 14.895 -6.202 1.00 0.00 H new ATOM 1105 N ASN A 80 -6.156 13.815 -11.204 1.00 0.00 N ATOM 1106 CA ASN A 80 -6.867 13.144 -12.298 1.00 0.00 C ATOM 1107 C ASN A 80 -8.073 12.347 -11.810 1.00 0.00 C ATOM 1108 O ASN A 80 -8.227 11.139 -11.977 1.00 0.00 O ATOM 1109 CB ASN A 80 -5.881 12.215 -12.916 1.00 0.00 C ATOM 1110 CG ASN A 80 -6.362 11.492 -14.172 1.00 0.00 C ATOM 1111 OD1 ASN A 80 -7.123 12.039 -14.970 1.00 0.00 O ATOM 1112 ND2 ASN A 80 -5.911 10.248 -14.337 1.00 0.00 N ATOM 0 H ASN A 80 -5.869 13.161 -10.476 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.251 13.886 -12.998 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -4.982 12.779 -13.164 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -5.596 11.469 -12.174 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -6.196 9.706 -15.153 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -5.281 9.838 -13.647 1.00 0.00 H new ATOM 1119 N THR A 81 -8.886 13.161 -11.189 1.00 0.00 N ATOM 1120 CA THR A 81 -10.191 13.018 -10.558 1.00 0.00 C ATOM 1121 C THR A 81 -10.499 11.868 -9.607 1.00 0.00 C ATOM 1122 O THR A 81 -11.427 12.005 -8.809 1.00 0.00 O ATOM 1123 CB THR A 81 -11.269 13.216 -11.620 1.00 0.00 C ATOM 1124 OG1 THR A 81 -12.527 13.455 -11.024 1.00 0.00 O ATOM 1125 CG2 THR A 81 -11.351 11.979 -12.514 1.00 0.00 C ATOM 0 H THR A 81 -8.591 14.133 -11.094 1.00 0.00 H new ATOM 0 HA THR A 81 -10.172 13.805 -9.804 1.00 0.00 H new ATOM 0 HB THR A 81 -11.001 14.085 -12.221 1.00 0.00 H new ATOM 0 HG1 THR A 81 -12.525 13.111 -10.106 1.00 0.00 H new ATOM 0 HG21 THR A 81 -12.122 12.127 -13.270 1.00 0.00 H new ATOM 0 HG22 THR A 81 -10.390 11.819 -13.003 1.00 0.00 H new ATOM 0 HG23 THR A 81 -11.599 11.108 -11.908 1.00 0.00 H new ATOM 1133 N ASN A 82 -9.768 10.758 -9.648 1.00 0.00 N ATOM 1134 CA ASN A 82 -10.035 9.672 -8.733 1.00 0.00 C ATOM 1135 C ASN A 82 -9.365 10.145 -7.452 1.00 0.00 C ATOM 1136 O ASN A 82 -10.034 10.557 -6.509 1.00 0.00 O ATOM 1137 CB ASN A 82 -9.463 8.367 -9.322 1.00 0.00 C ATOM 1138 CG ASN A 82 -9.466 7.163 -8.375 1.00 0.00 C ATOM 1139 OD1 ASN A 82 -9.730 7.283 -7.181 1.00 0.00 O ATOM 1140 ND2 ASN A 82 -9.161 5.982 -8.921 1.00 0.00 N ATOM 0 H ASN A 82 -8.999 10.595 -10.298 1.00 0.00 H new ATOM 0 HA ASN A 82 -11.085 9.444 -8.551 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -10.035 8.109 -10.213 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -8.438 8.552 -9.644 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -9.142 5.142 -8.342 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -8.947 5.920 -9.916 1.00 0.00 H new ATOM 1147 N CYS A 83 -8.038 10.072 -7.475 1.00 0.00 N ATOM 1148 CA CYS A 83 -7.129 10.436 -6.397 1.00 0.00 C ATOM 1149 C CYS A 83 -5.668 10.624 -6.844 1.00 0.00 C ATOM 1150 O CYS A 83 -4.874 11.181 -6.087 1.00 0.00 O ATOM 1151 CB CYS A 83 -7.249 9.435 -5.233 1.00 0.00 C ATOM 1152 SG CYS A 83 -7.456 10.133 -3.565 1.00 0.00 S ATOM 0 H CYS A 83 -7.539 9.736 -8.299 1.00 0.00 H new ATOM 0 HA CYS A 83 -7.442 11.421 -6.049 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -8.097 8.780 -5.434 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -6.357 8.809 -5.230 1.00 0.00 H new ATOM 1157 N GLU A 84 -5.308 10.179 -8.060 1.00 0.00 N ATOM 1158 CA GLU A 84 -3.954 10.217 -8.590 1.00 0.00 C ATOM 1159 C GLU A 84 -3.540 11.586 -9.125 1.00 0.00 C ATOM 1160 O GLU A 84 -4.202 12.164 -9.982 1.00 0.00 O ATOM 1161 CB GLU A 84 -3.809 9.145 -9.684 1.00 0.00 C ATOM 1162 CG GLU A 84 -3.940 7.707 -9.153 1.00 0.00 C ATOM 1163 CD GLU A 84 -5.378 7.316 -8.812 1.00 0.00 C ATOM 1164 OE1 GLU A 84 -6.171 7.182 -9.770 1.00 0.00 O ATOM 1165 OE2 GLU A 84 -5.663 7.155 -7.605 1.00 0.00 O ATOM 0 H GLU A 84 -5.979 9.773 -8.713 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.280 10.010 -7.759 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.567 9.312 -10.449 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.839 9.259 -10.167 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -3.550 7.015 -9.899 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -3.321 7.598 -8.263 1.00 0.00 H new ATOM 1172 N TYR A 85 -2.411 12.070 -8.596 1.00 0.00 N ATOM 1173 CA TYR A 85 -1.750 13.326 -8.911 1.00 0.00 C ATOM 1174 C TYR A 85 -1.182 13.262 -10.340 1.00 0.00 C ATOM 1175 O TYR A 85 -0.288 12.462 -10.612 1.00 0.00 O ATOM 1176 CB TYR A 85 -0.684 13.523 -7.818 1.00 0.00 C ATOM 1177 CG TYR A 85 0.489 14.422 -8.133 1.00 0.00 C ATOM 1178 CD1 TYR A 85 0.294 15.722 -8.623 1.00 0.00 C ATOM 1179 CD2 TYR A 85 1.793 13.943 -7.921 1.00 0.00 C ATOM 1180 CE1 TYR A 85 1.408 16.525 -8.913 1.00 0.00 C ATOM 1181 CE2 TYR A 85 2.903 14.740 -8.211 1.00 0.00 C ATOM 1182 CZ TYR A 85 2.714 16.036 -8.717 1.00 0.00 C ATOM 1183 OH TYR A 85 3.796 16.812 -9.010 1.00 0.00 O ATOM 0 H TYR A 85 -1.902 11.548 -7.882 1.00 0.00 H new ATOM 0 HA TYR A 85 -2.421 14.185 -8.909 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -1.181 13.919 -6.932 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -0.292 12.541 -7.552 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -0.705 16.102 -8.776 1.00 0.00 H new ATOM 0 HD2 TYR A 85 1.939 12.947 -7.529 1.00 0.00 H new ATOM 0 HE1 TYR A 85 1.262 17.527 -9.290 1.00 0.00 H new ATOM 0 HE2 TYR A 85 3.901 14.361 -8.047 1.00 0.00 H new ATOM 0 HH TYR A 85 4.618 16.316 -8.813 1.00 0.00 H new ATOM 1193 N ALA A 86 -1.696 14.113 -11.247 1.00 0.00 N ATOM 1194 CA ALA A 86 -1.298 14.173 -12.652 1.00 0.00 C ATOM 1195 C ALA A 86 0.000 14.957 -12.826 1.00 0.00 C ATOM 1196 O ALA A 86 0.989 14.410 -13.311 1.00 0.00 O ATOM 1197 CB ALA A 86 -2.419 14.788 -13.494 1.00 0.00 C ATOM 0 H ALA A 86 -2.418 14.793 -11.009 1.00 0.00 H new ATOM 0 HA ALA A 86 -1.119 13.155 -12.998 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.110 14.827 -14.539 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.318 14.178 -13.404 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -2.628 15.797 -13.140 1.00 0.00 H new ATOM 1203 N GLY A 87 -0.011 16.236 -12.435 1.00 0.00 N ATOM 1204 CA GLY A 87 1.150 17.103 -12.555 1.00 0.00 C ATOM 1205 C GLY A 87 0.956 18.361 -11.720 1.00 0.00 C ATOM 1206 O GLY A 87 -0.175 18.738 -11.412 1.00 0.00 O ATOM 0 H GLY A 87 -0.827 16.692 -12.028 1.00 0.00 H new ATOM 0 HA2 GLY A 87 2.044 16.573 -12.225 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.306 17.372 -13.600 1.00 0.00 H new ATOM 1210 N ALA A 88 2.077 18.994 -11.348 1.00 0.00 N ATOM 1211 CA ALA A 88 2.101 20.200 -10.537 1.00 0.00 C ATOM 1212 C ALA A 88 2.686 21.342 -11.353 1.00 0.00 C ATOM 1213 O ALA A 88 3.680 21.170 -12.056 1.00 0.00 O ATOM 1214 CB ALA A 88 2.932 19.973 -9.275 1.00 0.00 C ATOM 0 H ALA A 88 3.007 18.668 -11.612 1.00 0.00 H new ATOM 0 HA ALA A 88 1.084 20.453 -10.237 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.942 20.884 -8.677 1.00 0.00 H new ATOM 0 HB2 ALA A 88 2.495 19.161 -8.693 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.953 19.711 -9.554 1.00 0.00 H new ATOM 1220 N ILE A 89 2.052 22.511 -11.235 1.00 0.00 N ATOM 1221 CA ILE A 89 2.417 23.736 -11.922 1.00 0.00 C ATOM 1222 C ILE A 89 2.604 24.824 -10.869 1.00 0.00 C ATOM 1223 O ILE A 89 2.058 24.709 -9.774 1.00 0.00 O ATOM 1224 CB ILE A 89 1.349 24.079 -12.974 1.00 0.00 C ATOM 1225 CG1 ILE A 89 -0.057 24.165 -12.350 1.00 0.00 C ATOM 1226 CG2 ILE A 89 1.394 23.021 -14.081 1.00 0.00 C ATOM 1227 CD1 ILE A 89 -1.127 24.638 -13.338 1.00 0.00 C ATOM 0 H ILE A 89 1.238 22.627 -10.632 1.00 0.00 H new ATOM 0 HA ILE A 89 3.355 23.631 -12.468 1.00 0.00 H new ATOM 0 HB ILE A 89 1.565 25.061 -13.394 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.336 23.185 -11.963 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.029 24.847 -11.500 1.00 0.00 H new ATOM 0 HG21 ILE A 89 0.641 23.251 -14.835 1.00 0.00 H new ATOM 0 HG22 ILE A 89 2.381 23.019 -14.543 1.00 0.00 H new ATOM 0 HG23 ILE A 89 1.191 22.039 -13.654 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -2.094 24.677 -12.836 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -0.869 25.631 -13.706 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.181 23.943 -14.176 1.00 0.00 H new ATOM 1239 N THR A 90 3.376 25.874 -11.178 1.00 0.00 N ATOM 1240 CA THR A 90 3.628 26.942 -10.222 1.00 0.00 C ATOM 1241 C THR A 90 4.074 28.262 -10.847 1.00 0.00 C ATOM 1242 O THR A 90 4.698 28.257 -11.905 1.00 0.00 O ATOM 1243 CB THR A 90 4.705 26.457 -9.240 1.00 0.00 C ATOM 1244 OG1 THR A 90 4.854 27.361 -8.167 1.00 0.00 O ATOM 1245 CG2 THR A 90 6.064 26.262 -9.929 1.00 0.00 C ATOM 0 H THR A 90 3.832 26.000 -12.082 1.00 0.00 H new ATOM 0 HA THR A 90 2.680 27.156 -9.729 1.00 0.00 H new ATOM 0 HB THR A 90 4.369 25.493 -8.859 1.00 0.00 H new ATOM 0 HG1 THR A 90 5.724 27.220 -7.739 1.00 0.00 H new ATOM 0 HG21 THR A 90 6.796 25.919 -9.198 1.00 0.00 H new ATOM 0 HG22 THR A 90 5.967 25.520 -10.722 1.00 0.00 H new ATOM 0 HG23 THR A 90 6.394 27.209 -10.357 1.00 0.00 H new ATOM 1253 N HIS A 91 3.737 29.388 -10.190 1.00 0.00 N ATOM 1254 CA HIS A 91 4.188 30.702 -10.658 1.00 0.00 C ATOM 1255 C HIS A 91 5.645 30.967 -10.253 1.00 0.00 C ATOM 1256 O HIS A 91 6.300 31.806 -10.867 1.00 0.00 O ATOM 1257 CB HIS A 91 3.358 31.936 -10.264 1.00 0.00 C ATOM 1258 CG HIS A 91 1.909 31.956 -10.643 1.00 0.00 C ATOM 1259 ND1 HIS A 91 1.077 33.005 -10.287 1.00 0.00 N ATOM 1260 CD2 HIS A 91 1.120 31.088 -11.349 1.00 0.00 C ATOM 1261 CE1 HIS A 91 -0.139 32.731 -10.783 1.00 0.00 C ATOM 1262 NE2 HIS A 91 -0.182 31.569 -11.437 1.00 0.00 N ATOM 0 H HIS A 91 3.163 29.410 -9.347 1.00 0.00 H new ATOM 0 HA HIS A 91 4.057 30.601 -11.735 1.00 0.00 H new ATOM 0 HB2 HIS A 91 3.422 32.051 -9.182 1.00 0.00 H new ATOM 0 HB3 HIS A 91 3.831 32.813 -10.706 1.00 0.00 H new ATOM 0 HD2 HIS A 91 1.462 30.158 -11.778 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -0.993 33.382 -10.665 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -0.983 31.135 -11.895 1.00 0.00 H new ATOM 1270 N THR A 92 6.148 30.271 -9.226 1.00 0.00 N ATOM 1271 CA THR A 92 7.507 30.388 -8.725 1.00 0.00 C ATOM 1272 C THR A 92 8.503 30.041 -9.834 1.00 0.00 C ATOM 1273 O THR A 92 8.618 28.880 -10.224 1.00 0.00 O ATOM 1274 CB THR A 92 7.671 29.471 -7.505 1.00 0.00 C ATOM 1275 OG1 THR A 92 6.629 29.710 -6.579 1.00 0.00 O ATOM 1276 CG2 THR A 92 9.012 29.719 -6.810 1.00 0.00 C ATOM 0 H THR A 92 5.594 29.589 -8.708 1.00 0.00 H new ATOM 0 HA THR A 92 7.708 31.413 -8.414 1.00 0.00 H new ATOM 0 HB THR A 92 7.635 28.439 -7.854 1.00 0.00 H new ATOM 0 HG1 THR A 92 6.739 29.120 -5.804 1.00 0.00 H new ATOM 0 HG21 THR A 92 9.104 29.057 -5.949 1.00 0.00 H new ATOM 0 HG22 THR A 92 9.826 29.521 -7.508 1.00 0.00 H new ATOM 0 HG23 THR A 92 9.063 30.756 -6.477 1.00 0.00 H new ATOM 1284 N GLY A 93 9.212 31.060 -10.339 1.00 0.00 N ATOM 1285 CA GLY A 93 10.195 30.939 -11.407 1.00 0.00 C ATOM 1286 C GLY A 93 9.704 31.607 -12.694 1.00 0.00 C ATOM 1287 O GLY A 93 10.516 32.095 -13.479 1.00 0.00 O ATOM 0 H GLY A 93 9.109 32.017 -10.001 1.00 0.00 H new ATOM 0 HA2 GLY A 93 11.134 31.395 -11.093 1.00 0.00 H new ATOM 0 HA3 GLY A 93 10.401 29.886 -11.597 1.00 0.00 H new ATOM 1291 N ALA A 94 8.381 31.641 -12.907 1.00 0.00 N ATOM 1292 CA ALA A 94 7.746 32.222 -14.081 1.00 0.00 C ATOM 1293 C ALA A 94 7.768 33.756 -14.045 1.00 0.00 C ATOM 1294 O ALA A 94 8.326 34.358 -13.130 1.00 0.00 O ATOM 1295 CB ALA A 94 6.307 31.708 -14.153 1.00 0.00 C ATOM 0 H ALA A 94 7.711 31.252 -12.244 1.00 0.00 H new ATOM 0 HA ALA A 94 8.302 31.922 -14.969 1.00 0.00 H new ATOM 0 HB1 ALA A 94 5.812 32.132 -15.027 1.00 0.00 H new ATOM 0 HB2 ALA A 94 6.312 30.621 -14.231 1.00 0.00 H new ATOM 0 HB3 ALA A 94 5.769 32.004 -13.252 1.00 0.00 H new ATOM 1301 N SER A 95 7.140 34.384 -15.050 1.00 0.00 N ATOM 1302 CA SER A 95 7.059 35.832 -15.202 1.00 0.00 C ATOM 1303 C SER A 95 5.913 36.424 -14.372 1.00 0.00 C ATOM 1304 O SER A 95 5.049 37.117 -14.909 1.00 0.00 O ATOM 1305 CB SER A 95 6.925 36.183 -16.692 1.00 0.00 C ATOM 1306 OG SER A 95 8.026 35.680 -17.421 1.00 0.00 O ATOM 0 H SER A 95 6.663 33.878 -15.797 1.00 0.00 H new ATOM 0 HA SER A 95 7.977 36.278 -14.820 1.00 0.00 H new ATOM 0 HB2 SER A 95 5.999 35.766 -17.088 1.00 0.00 H new ATOM 0 HB3 SER A 95 6.865 37.265 -16.813 1.00 0.00 H new ATOM 0 HG SER A 95 7.924 35.911 -18.368 1.00 0.00 H new ATOM 1312 N GLY A 96 5.906 36.144 -13.061 1.00 0.00 N ATOM 1313 CA GLY A 96 4.915 36.641 -12.113 1.00 0.00 C ATOM 1314 C GLY A 96 3.572 35.921 -12.219 1.00 0.00 C ATOM 1315 O GLY A 96 3.231 35.110 -11.361 1.00 0.00 O ATOM 0 H GLY A 96 6.611 35.549 -12.625 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.302 36.529 -11.100 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.763 37.707 -12.280 1.00 0.00 H new ATOM 1319 N ASN A 97 2.808 36.231 -13.273 1.00 0.00 N ATOM 1320 CA ASN A 97 1.493 35.666 -13.543 1.00 0.00 C ATOM 1321 C ASN A 97 1.611 34.281 -14.177 1.00 0.00 C ATOM 1322 O ASN A 97 0.894 33.361 -13.786 1.00 0.00 O ATOM 1323 CB ASN A 97 0.736 36.617 -14.483 1.00 0.00 C ATOM 1324 CG ASN A 97 -0.546 35.995 -15.039 1.00 0.00 C ATOM 1325 OD1 ASN A 97 -1.618 36.151 -14.459 1.00 0.00 O ATOM 1326 ND2 ASN A 97 -0.435 35.288 -16.169 1.00 0.00 N ATOM 0 H ASN A 97 3.103 36.904 -13.980 1.00 0.00 H new ATOM 0 HA ASN A 97 0.949 35.554 -12.605 1.00 0.00 H new ATOM 0 HB2 ASN A 97 0.488 37.532 -13.946 1.00 0.00 H new ATOM 0 HB3 ASN A 97 1.387 36.899 -15.310 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -1.260 34.853 -16.582 1.00 0.00 H new ATOM 0 HD22 ASN A 97 0.475 35.184 -16.618 1.00 0.00 H new ATOM 1333 N ASN A 98 2.513 34.154 -15.158 1.00 0.00 N ATOM 1334 CA ASN A 98 2.778 32.941 -15.922 1.00 0.00 C ATOM 1335 C ASN A 98 3.037 31.711 -15.044 1.00 0.00 C ATOM 1336 O ASN A 98 3.258 31.825 -13.839 1.00 0.00 O ATOM 1337 CB ASN A 98 3.931 33.211 -16.898 1.00 0.00 C ATOM 1338 CG ASN A 98 3.577 34.227 -17.987 1.00 0.00 C ATOM 1339 OD1 ASN A 98 2.598 34.965 -17.880 1.00 0.00 O ATOM 1340 ND2 ASN A 98 4.384 34.265 -19.050 1.00 0.00 N ATOM 0 H ASN A 98 3.102 34.934 -15.450 1.00 0.00 H new ATOM 0 HA ASN A 98 1.878 32.690 -16.483 1.00 0.00 H new ATOM 0 HB2 ASN A 98 4.794 33.574 -16.339 1.00 0.00 H new ATOM 0 HB3 ASN A 98 4.227 32.273 -17.368 1.00 0.00 H new ATOM 0 HD21 ASN A 98 4.198 34.921 -19.808 1.00 0.00 H new ATOM 0 HD22 ASN A 98 5.186 33.638 -19.104 1.00 0.00 H new ATOM 1347 N PHE A 99 3.007 30.532 -15.679 1.00 0.00 N ATOM 1348 CA PHE A 99 3.197 29.234 -15.052 1.00 0.00 C ATOM 1349 C PHE A 99 4.375 28.465 -15.654 1.00 0.00 C ATOM 1350 O PHE A 99 4.774 28.700 -16.793 1.00 0.00 O ATOM 1351 CB PHE A 99 1.915 28.406 -15.269 1.00 0.00 C ATOM 1352 CG PHE A 99 0.936 28.434 -14.115 1.00 0.00 C ATOM 1353 CD1 PHE A 99 1.263 27.728 -12.949 1.00 0.00 C ATOM 1354 CD2 PHE A 99 -0.283 29.132 -14.194 1.00 0.00 C ATOM 1355 CE1 PHE A 99 0.387 27.719 -11.852 1.00 0.00 C ATOM 1356 CE2 PHE A 99 -1.163 29.124 -13.096 1.00 0.00 C ATOM 1357 CZ PHE A 99 -0.822 28.427 -11.923 1.00 0.00 C ATOM 0 H PHE A 99 2.843 30.463 -16.683 1.00 0.00 H new ATOM 0 HA PHE A 99 3.408 29.395 -13.995 1.00 0.00 H new ATOM 0 HB2 PHE A 99 1.411 28.772 -16.163 1.00 0.00 H new ATOM 0 HB3 PHE A 99 2.197 27.371 -15.463 1.00 0.00 H new ATOM 0 HD1 PHE A 99 2.196 27.187 -12.894 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.542 29.671 -15.093 1.00 0.00 H new ATOM 0 HE1 PHE A 99 0.643 27.170 -10.958 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -2.102 29.654 -13.154 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.492 28.437 -11.076 1.00 0.00 H new ATOM 1367 N VAL A 100 4.909 27.535 -14.851 1.00 0.00 N ATOM 1368 CA VAL A 100 6.001 26.625 -15.173 1.00 0.00 C ATOM 1369 C VAL A 100 5.705 25.301 -14.472 1.00 0.00 C ATOM 1370 O VAL A 100 4.870 25.243 -13.570 1.00 0.00 O ATOM 1371 CB VAL A 100 7.396 27.169 -14.810 1.00 0.00 C ATOM 1372 CG1 VAL A 100 7.820 28.285 -15.766 1.00 0.00 C ATOM 1373 CG2 VAL A 100 7.511 27.621 -13.351 1.00 0.00 C ATOM 0 H VAL A 100 4.564 27.395 -13.901 1.00 0.00 H new ATOM 0 HA VAL A 100 6.045 26.495 -16.254 1.00 0.00 H new ATOM 0 HB VAL A 100 8.085 26.332 -14.924 1.00 0.00 H new ATOM 0 HG11 VAL A 100 8.808 28.649 -15.485 1.00 0.00 H new ATOM 0 HG12 VAL A 100 7.852 27.899 -16.785 1.00 0.00 H new ATOM 0 HG13 VAL A 100 7.103 29.104 -15.711 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.518 27.993 -13.164 1.00 0.00 H new ATOM 0 HG22 VAL A 100 6.790 28.415 -13.158 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.307 26.777 -12.692 1.00 0.00 H new ATOM 1383 N GLY A 101 6.402 24.240 -14.881 1.00 0.00 N ATOM 1384 CA GLY A 101 6.219 22.901 -14.347 1.00 0.00 C ATOM 1385 C GLY A 101 7.136 22.627 -13.160 1.00 0.00 C ATOM 1386 O GLY A 101 8.304 23.010 -13.178 1.00 0.00 O ATOM 0 H GLY A 101 7.119 24.294 -15.604 1.00 0.00 H new ATOM 0 HA2 GLY A 101 5.181 22.772 -14.040 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.413 22.169 -15.131 1.00 0.00 H new ATOM 1390 N CYS A 102 6.596 21.960 -12.129 1.00 0.00 N ATOM 1391 CA CYS A 102 7.342 21.590 -10.933 1.00 0.00 C ATOM 1392 C CYS A 102 8.122 20.302 -11.217 1.00 0.00 C ATOM 1393 O CYS A 102 8.167 19.843 -12.359 1.00 0.00 O ATOM 1394 CB CYS A 102 6.396 21.456 -9.737 1.00 0.00 C ATOM 1395 SG CYS A 102 5.270 22.848 -9.434 1.00 0.00 S ATOM 0 H CYS A 102 5.620 21.663 -12.109 1.00 0.00 H new ATOM 0 HA CYS A 102 8.059 22.369 -10.673 1.00 0.00 H new ATOM 0 HB2 CYS A 102 5.796 20.556 -9.875 1.00 0.00 H new ATOM 0 HB3 CYS A 102 6.998 21.303 -8.841 1.00 0.00 H new ATOM 1400 N SER A 103 8.734 19.699 -10.188 1.00 0.00 N ATOM 1401 CA SER A 103 9.513 18.478 -10.393 1.00 0.00 C ATOM 1402 C SER A 103 8.568 17.292 -10.579 1.00 0.00 C ATOM 1403 O SER A 103 7.736 17.013 -9.716 1.00 0.00 O ATOM 1404 CB SER A 103 10.525 18.249 -9.268 1.00 0.00 C ATOM 1405 OG SER A 103 11.411 17.211 -9.623 1.00 0.00 O ATOM 0 H SER A 103 8.704 20.032 -9.224 1.00 0.00 H new ATOM 0 HA SER A 103 10.104 18.588 -11.302 1.00 0.00 H new ATOM 0 HB2 SER A 103 11.083 19.166 -9.077 1.00 0.00 H new ATOM 0 HB3 SER A 103 10.004 17.995 -8.345 1.00 0.00 H new ATOM 0 HG SER A 103 12.057 17.071 -8.900 1.00 0.00 H new ATOM 1411 N GLY A 104 8.707 16.594 -11.711 1.00 0.00 N ATOM 1412 CA GLY A 104 7.877 15.455 -12.062 1.00 0.00 C ATOM 1413 C GLY A 104 6.621 15.957 -12.766 1.00 0.00 C ATOM 1414 O GLY A 104 5.506 15.618 -12.373 1.00 0.00 O ATOM 0 H GLY A 104 9.412 16.814 -12.414 1.00 0.00 H new ATOM 0 HA2 GLY A 104 8.427 14.774 -12.712 1.00 0.00 H new ATOM 0 HA3 GLY A 104 7.609 14.894 -11.167 1.00 0.00 H new ATOM 1418 N THR A 105 6.824 16.780 -13.802 1.00 0.00 N ATOM 1419 CA THR A 105 5.784 17.374 -14.629 1.00 0.00 C ATOM 1420 C THR A 105 6.361 17.507 -16.038 1.00 0.00 C ATOM 1421 O THR A 105 7.384 18.165 -16.219 1.00 0.00 O ATOM 1422 CB THR A 105 5.363 18.738 -14.056 1.00 0.00 C ATOM 1423 OG1 THR A 105 4.878 18.587 -12.736 1.00 0.00 O ATOM 1424 CG2 THR A 105 4.267 19.389 -14.905 1.00 0.00 C ATOM 0 H THR A 105 7.761 17.058 -14.094 1.00 0.00 H new ATOM 0 HA THR A 105 4.887 16.754 -14.650 1.00 0.00 H new ATOM 0 HB THR A 105 6.246 19.377 -14.063 1.00 0.00 H new ATOM 0 HG1 THR A 105 4.578 19.456 -12.396 1.00 0.00 H new ATOM 0 HG21 THR A 105 3.994 20.351 -14.471 1.00 0.00 H new ATOM 0 HG22 THR A 105 4.634 19.540 -15.920 1.00 0.00 H new ATOM 0 HG23 THR A 105 3.392 18.740 -14.929 1.00 0.00 H new ATOM 1432 N ASN A 106 5.704 16.877 -17.023 1.00 0.00 N ATOM 1433 CA ASN A 106 6.098 16.867 -18.427 1.00 0.00 C ATOM 1434 C ASN A 106 7.494 16.258 -18.593 1.00 0.00 C ATOM 1435 O ASN A 106 8.454 17.041 -18.767 1.00 0.00 O ATOM 1436 CB ASN A 106 5.959 18.269 -19.047 1.00 0.00 C ATOM 1437 CG ASN A 106 6.270 18.284 -20.544 1.00 0.00 C ATOM 1438 OD1 ASN A 106 6.010 17.311 -21.250 1.00 0.00 O ATOM 1439 ND2 ASN A 106 6.834 19.391 -21.034 1.00 0.00 N ATOM 1440 OXT ASN A 106 7.592 15.023 -18.419 1.00 0.00 O ATOM 0 H ASN A 106 4.853 16.342 -16.850 1.00 0.00 H new ATOM 0 HA ASN A 106 5.417 16.224 -18.985 1.00 0.00 H new ATOM 0 HB2 ASN A 106 4.944 18.634 -18.887 1.00 0.00 H new ATOM 0 HB3 ASN A 106 6.630 18.957 -18.533 1.00 0.00 H new ATOM 0 HD21 ASN A 106 7.064 19.450 -22.026 1.00 0.00 H new ATOM 0 HD22 ASN A 106 7.034 20.178 -20.416 1.00 0.00 H new