USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=31 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 41 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 43 ASN : amide:sc=-0.00303 X(o=-0.003,f=0.011) USER MOD Set 2.1: A 37 THR OG1 : rot 77:sc= 0.76 USER MOD Set 2.2: A 40 HIS : no HD1:sc= -0.683 X(o=0.078,f=-0.037) USER MOD Set 3.1: A 5 THR OG1 : rot -63:sc= 0.319 USER MOD Set 3.2: A 10 ASN : amide:sc= -0.188 X(o=0.13,f=-0.0081) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 102:sc= -0.113 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.132 USER MOD Single : A 11 TYR OH : rot 120:sc= -0.403 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.22 K(o=-0.22,f=-2) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN : amide:sc= 0.0899 X(o=0.09,f=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 7:sc= -0.322 USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.0091) USER MOD Single : A 32 THR OG1 : rot -40:sc= 0.384 USER MOD Single : A 35 SER OG : rot 180:sc= 0.0526 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 165:sc= 0.201 USER MOD Single : A 42 TYR OH : rot -145:sc= 0.727 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) 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= -0.705 K(o=-0.7,f=-5.2!) USER MOD Single : A 62 LYS NZ :NH3+ -134:sc= 0.775 (180deg=0.0203) 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 39:sc= 0.169 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= 0.142 K(o=0.14,f=-2.7!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -0.0717 X(o=-0.072,f=-0.078) USER MOD Single : A 85 TYR OH : rot -140:sc= -0.178 USER MOD Single : A 90 THR OG1 : rot -160:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= -0.368 K(o=-0.37,f=-3.7!) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.0404 USER MOD Single : A 95 SER OG : rot 8:sc= 0.555 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 ASN : amide:sc= -0.0466 K(o=-0.047,f=-1.8!) USER MOD Single : A 103 SER OG : rot -164:sc= 0.929 USER MOD Single : A 105 THR OG1 : rot -120:sc= 0 USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD ----------------------------------------------------------------- ATOM 15 N SER A 2 6.811 12.051 -6.395 1.00 0.00 N ATOM 16 CA SER A 2 8.131 11.978 -5.787 1.00 0.00 C ATOM 17 C SER A 2 8.566 13.397 -5.435 1.00 0.00 C ATOM 18 O SER A 2 9.471 13.950 -6.060 1.00 0.00 O ATOM 19 CB SER A 2 9.095 11.309 -6.770 1.00 0.00 C ATOM 20 OG SER A 2 10.402 11.257 -6.240 1.00 0.00 O ATOM 0 HA SER A 2 8.122 11.381 -4.875 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.749 10.300 -6.994 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.102 11.860 -7.710 1.00 0.00 H new ATOM 0 HG SER A 2 11.000 10.824 -6.885 1.00 0.00 H new ATOM 26 N ALA A 3 7.896 13.974 -4.431 1.00 0.00 N ATOM 27 CA ALA A 3 8.117 15.329 -3.933 1.00 0.00 C ATOM 28 C ALA A 3 7.744 16.357 -5.007 1.00 0.00 C ATOM 29 O ALA A 3 7.363 15.984 -6.114 1.00 0.00 O ATOM 30 CB ALA A 3 9.557 15.498 -3.427 1.00 0.00 C ATOM 0 H ALA A 3 7.156 13.487 -3.925 1.00 0.00 H new ATOM 0 HA ALA A 3 7.465 15.506 -3.078 1.00 0.00 H new ATOM 0 HB1 ALA A 3 9.697 16.515 -3.061 1.00 0.00 H new ATOM 0 HB2 ALA A 3 9.743 14.792 -2.617 1.00 0.00 H new ATOM 0 HB3 ALA A 3 10.254 15.307 -4.243 1.00 0.00 H new ATOM 36 N THR A 4 7.840 17.652 -4.679 1.00 0.00 N ATOM 37 CA THR A 4 7.540 18.733 -5.610 1.00 0.00 C ATOM 38 C THR A 4 8.486 19.903 -5.382 1.00 0.00 C ATOM 39 O THR A 4 8.234 20.753 -4.529 1.00 0.00 O ATOM 40 CB THR A 4 6.076 19.188 -5.541 1.00 0.00 C ATOM 41 OG1 THR A 4 5.648 19.301 -4.210 1.00 0.00 O ATOM 42 CG2 THR A 4 5.146 18.254 -6.309 1.00 0.00 C ATOM 0 H THR A 4 8.129 17.974 -3.756 1.00 0.00 H new ATOM 0 HA THR A 4 7.693 18.342 -6.616 1.00 0.00 H new ATOM 0 HB THR A 4 6.030 20.168 -6.015 1.00 0.00 H new ATOM 0 HG1 THR A 4 5.645 20.245 -3.946 1.00 0.00 H new ATOM 0 HG21 THR A 4 4.121 18.617 -6.231 1.00 0.00 H new ATOM 0 HG22 THR A 4 5.443 18.226 -7.357 1.00 0.00 H new ATOM 0 HG23 THR A 4 5.209 17.251 -5.888 1.00 0.00 H new ATOM 50 N THR A 5 9.585 19.935 -6.148 1.00 0.00 N ATOM 51 CA THR A 5 10.573 20.953 -6.133 1.00 0.00 C ATOM 52 C THR A 5 10.021 21.965 -7.137 1.00 0.00 C ATOM 53 O THR A 5 10.288 21.906 -8.338 1.00 0.00 O ATOM 54 CB THR A 5 11.867 20.262 -6.551 1.00 0.00 C ATOM 55 OG1 THR A 5 12.290 19.367 -5.544 1.00 0.00 O ATOM 56 CG2 THR A 5 12.895 21.340 -6.756 1.00 0.00 C ATOM 0 H THR A 5 9.794 19.198 -6.822 1.00 0.00 H new ATOM 0 HA THR A 5 10.782 21.461 -5.192 1.00 0.00 H new ATOM 0 HB THR A 5 11.722 19.686 -7.465 1.00 0.00 H new ATOM 0 HG1 THR A 5 12.498 19.868 -4.728 1.00 0.00 H new ATOM 0 HG21 THR A 5 13.840 20.889 -7.057 1.00 0.00 H new ATOM 0 HG22 THR A 5 12.555 22.024 -7.534 1.00 0.00 H new ATOM 0 HG23 THR A 5 13.036 21.890 -5.826 1.00 0.00 H new ATOM 64 N CYS A 6 9.222 22.886 -6.600 1.00 0.00 N ATOM 65 CA CYS A 6 8.543 23.951 -7.309 1.00 0.00 C ATOM 66 C CYS A 6 9.480 25.154 -7.408 1.00 0.00 C ATOM 67 O CYS A 6 9.204 26.226 -6.873 1.00 0.00 O ATOM 68 CB CYS A 6 7.215 24.232 -6.584 1.00 0.00 C ATOM 69 SG CYS A 6 5.914 22.975 -6.800 1.00 0.00 S ATOM 0 H CYS A 6 9.025 22.903 -5.599 1.00 0.00 H new ATOM 0 HA CYS A 6 8.292 23.682 -8.335 1.00 0.00 H new ATOM 0 HB2 CYS A 6 7.419 24.337 -5.519 1.00 0.00 H new ATOM 0 HB3 CYS A 6 6.829 25.191 -6.931 1.00 0.00 H new ATOM 74 N GLY A 7 10.597 24.955 -8.121 1.00 0.00 N ATOM 75 CA GLY A 7 11.631 25.951 -8.328 1.00 0.00 C ATOM 76 C GLY A 7 12.550 25.966 -7.112 1.00 0.00 C ATOM 77 O GLY A 7 13.636 25.390 -7.147 1.00 0.00 O ATOM 0 H GLY A 7 10.802 24.067 -8.579 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.201 25.722 -9.229 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.184 26.934 -8.475 1.00 0.00 H new ATOM 81 N SER A 8 12.093 26.629 -6.042 1.00 0.00 N ATOM 82 CA SER A 8 12.790 26.762 -4.770 1.00 0.00 C ATOM 83 C SER A 8 11.998 26.051 -3.672 1.00 0.00 C ATOM 84 O SER A 8 12.588 25.368 -2.835 1.00 0.00 O ATOM 85 CB SER A 8 13.006 28.246 -4.453 1.00 0.00 C ATOM 86 OG SER A 8 11.784 28.954 -4.444 1.00 0.00 O ATOM 0 H SER A 8 11.190 27.104 -6.046 1.00 0.00 H new ATOM 0 HA SER A 8 13.771 26.290 -4.829 1.00 0.00 H new ATOM 0 HB2 SER A 8 13.493 28.345 -3.483 1.00 0.00 H new ATOM 0 HB3 SER A 8 13.677 28.684 -5.193 1.00 0.00 H new ATOM 0 HG SER A 8 11.954 29.897 -4.237 1.00 0.00 H new ATOM 92 N THR A 9 10.666 26.219 -3.678 1.00 0.00 N ATOM 93 CA THR A 9 9.753 25.603 -2.727 1.00 0.00 C ATOM 94 C THR A 9 9.861 24.086 -2.862 1.00 0.00 C ATOM 95 O THR A 9 9.490 23.539 -3.893 1.00 0.00 O ATOM 96 CB THR A 9 8.312 26.082 -2.981 1.00 0.00 C ATOM 97 OG1 THR A 9 8.147 26.646 -4.266 1.00 0.00 O ATOM 98 CG2 THR A 9 7.911 27.105 -1.923 1.00 0.00 C ATOM 0 H THR A 9 10.191 26.804 -4.366 1.00 0.00 H new ATOM 0 HA THR A 9 10.019 25.893 -1.711 1.00 0.00 H new ATOM 0 HB THR A 9 7.668 25.204 -2.922 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.217 26.933 -4.380 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.890 27.440 -2.109 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.969 26.648 -0.935 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.587 27.959 -1.968 1.00 0.00 H new ATOM 106 N ASN A 10 10.355 23.423 -1.812 1.00 0.00 N ATOM 107 CA ASN A 10 10.560 21.981 -1.790 1.00 0.00 C ATOM 108 C ASN A 10 9.623 21.327 -0.780 1.00 0.00 C ATOM 109 O ASN A 10 9.901 21.326 0.420 1.00 0.00 O ATOM 110 CB ASN A 10 12.036 21.680 -1.495 1.00 0.00 C ATOM 111 CG ASN A 10 12.392 20.215 -1.758 1.00 0.00 C ATOM 112 OD1 ASN A 10 13.094 19.911 -2.720 1.00 0.00 O ATOM 113 ND2 ASN A 10 11.922 19.303 -0.902 1.00 0.00 N ATOM 0 H ASN A 10 10.626 23.884 -0.944 1.00 0.00 H new ATOM 0 HA ASN A 10 10.320 21.557 -2.765 1.00 0.00 H new ATOM 0 HB2 ASN A 10 12.666 22.321 -2.112 1.00 0.00 H new ATOM 0 HB3 ASN A 10 12.254 21.924 -0.455 1.00 0.00 H new ATOM 0 HD21 ASN A 10 12.143 18.316 -1.036 1.00 0.00 H new ATOM 0 HD22 ASN A 10 11.342 19.594 -0.115 1.00 0.00 H new ATOM 120 N TYR A 11 8.518 20.762 -1.277 1.00 0.00 N ATOM 121 CA TYR A 11 7.526 20.077 -0.459 1.00 0.00 C ATOM 122 C TYR A 11 7.834 18.581 -0.449 1.00 0.00 C ATOM 123 O TYR A 11 8.305 18.038 -1.447 1.00 0.00 O ATOM 124 CB TYR A 11 6.117 20.323 -1.011 1.00 0.00 C ATOM 125 CG TYR A 11 5.775 21.754 -1.382 1.00 0.00 C ATOM 126 CD1 TYR A 11 6.344 22.836 -0.685 1.00 0.00 C ATOM 127 CD2 TYR A 11 4.880 22.005 -2.439 1.00 0.00 C ATOM 128 CE1 TYR A 11 6.023 24.153 -1.045 1.00 0.00 C ATOM 129 CE2 TYR A 11 4.563 23.324 -2.802 1.00 0.00 C ATOM 130 CZ TYR A 11 5.132 24.399 -2.101 1.00 0.00 C ATOM 131 OH TYR A 11 4.819 25.679 -2.437 1.00 0.00 O ATOM 0 H TYR A 11 8.290 20.771 -2.271 1.00 0.00 H new ATOM 0 HA TYR A 11 7.567 20.465 0.559 1.00 0.00 H new ATOM 0 HB2 TYR A 11 5.984 19.700 -1.896 1.00 0.00 H new ATOM 0 HB3 TYR A 11 5.395 19.981 -0.269 1.00 0.00 H new ATOM 0 HD1 TYR A 11 7.029 22.652 0.129 1.00 0.00 H new ATOM 0 HD2 TYR A 11 4.435 21.179 -2.974 1.00 0.00 H new ATOM 0 HE1 TYR A 11 6.463 24.980 -0.508 1.00 0.00 H new ATOM 0 HE2 TYR A 11 3.882 23.511 -3.619 1.00 0.00 H new ATOM 0 HH TYR A 11 5.080 25.846 -3.366 1.00 0.00 H new ATOM 141 N SER A 12 7.554 17.919 0.678 1.00 0.00 N ATOM 142 CA SER A 12 7.790 16.497 0.868 1.00 0.00 C ATOM 143 C SER A 12 6.790 15.695 0.064 1.00 0.00 C ATOM 144 O SER A 12 5.693 16.172 -0.215 1.00 0.00 O ATOM 145 CB SER A 12 7.668 16.159 2.358 1.00 0.00 C ATOM 146 OG SER A 12 8.572 16.936 3.112 1.00 0.00 O ATOM 0 H SER A 12 7.149 18.373 1.497 1.00 0.00 H new ATOM 0 HA SER A 12 8.793 16.244 0.524 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.649 16.343 2.697 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.870 15.099 2.515 1.00 0.00 H new ATOM 0 HG SER A 12 8.483 16.712 4.062 1.00 0.00 H new ATOM 152 N ALA A 13 7.183 14.473 -0.317 1.00 0.00 N ATOM 153 CA ALA A 13 6.304 13.563 -1.036 1.00 0.00 C ATOM 154 C ALA A 13 5.072 13.308 -0.152 1.00 0.00 C ATOM 155 O ALA A 13 4.031 12.879 -0.647 1.00 0.00 O ATOM 156 CB ALA A 13 7.048 12.260 -1.342 1.00 0.00 C ATOM 0 H ALA A 13 8.113 14.096 -0.134 1.00 0.00 H new ATOM 0 HA ALA A 13 5.988 13.991 -1.987 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.387 11.581 -1.880 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.923 12.476 -1.955 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.365 11.794 -0.409 1.00 0.00 H new ATOM 162 N SER A 14 5.207 13.594 1.158 1.00 0.00 N ATOM 163 CA SER A 14 4.160 13.451 2.154 1.00 0.00 C ATOM 164 C SER A 14 3.155 14.595 1.995 1.00 0.00 C ATOM 165 O SER A 14 1.957 14.367 2.124 1.00 0.00 O ATOM 166 CB SER A 14 4.771 13.460 3.558 1.00 0.00 C ATOM 167 OG SER A 14 5.664 12.377 3.709 1.00 0.00 O ATOM 0 H SER A 14 6.082 13.941 1.551 1.00 0.00 H new ATOM 0 HA SER A 14 3.643 12.502 2.012 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.296 14.400 3.728 1.00 0.00 H new ATOM 0 HB3 SER A 14 3.981 13.396 4.306 1.00 0.00 H new ATOM 0 HG SER A 14 6.050 12.394 4.610 1.00 0.00 H new ATOM 173 N GLN A 15 3.636 15.818 1.719 1.00 0.00 N ATOM 174 CA GLN A 15 2.800 16.997 1.524 1.00 0.00 C ATOM 175 C GLN A 15 1.996 16.886 0.227 1.00 0.00 C ATOM 176 O GLN A 15 0.819 17.240 0.201 1.00 0.00 O ATOM 177 CB GLN A 15 3.663 18.266 1.564 1.00 0.00 C ATOM 178 CG GLN A 15 4.306 18.456 2.948 1.00 0.00 C ATOM 179 CD GLN A 15 5.289 19.627 3.004 1.00 0.00 C ATOM 180 OE1 GLN A 15 5.308 20.485 2.124 1.00 0.00 O ATOM 181 NE2 GLN A 15 6.112 19.670 4.054 1.00 0.00 N ATOM 0 H GLN A 15 4.633 16.010 1.625 1.00 0.00 H new ATOM 0 HA GLN A 15 2.078 17.061 2.338 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.441 18.204 0.804 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.050 19.134 1.322 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.521 18.615 3.687 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.827 17.540 3.228 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.069 18.941 4.766 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.784 20.432 4.144 1.00 0.00 H new ATOM 190 N VAL A 16 2.635 16.382 -0.838 1.00 0.00 N ATOM 191 CA VAL A 16 2.016 16.183 -2.148 1.00 0.00 C ATOM 192 C VAL A 16 0.861 15.188 -1.982 1.00 0.00 C ATOM 193 O VAL A 16 -0.250 15.433 -2.449 1.00 0.00 O ATOM 194 CB VAL A 16 3.032 15.671 -3.187 1.00 0.00 C ATOM 195 CG1 VAL A 16 2.394 15.615 -4.576 1.00 0.00 C ATOM 196 CG2 VAL A 16 4.230 16.620 -3.288 1.00 0.00 C ATOM 0 H VAL A 16 3.614 16.097 -0.809 1.00 0.00 H new ATOM 0 HA VAL A 16 1.644 17.137 -2.520 1.00 0.00 H new ATOM 0 HB VAL A 16 3.351 14.680 -2.863 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.125 15.251 -5.298 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.538 14.941 -4.556 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.064 16.613 -4.865 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.935 16.239 -4.027 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.886 17.609 -3.590 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.723 16.688 -2.318 1.00 0.00 H new ATOM 206 N ARG A 17 1.146 14.070 -1.297 1.00 0.00 N ATOM 207 CA ARG A 17 0.215 12.986 -1.020 1.00 0.00 C ATOM 208 C ARG A 17 -0.924 13.426 -0.096 1.00 0.00 C ATOM 209 O ARG A 17 -2.064 13.019 -0.310 1.00 0.00 O ATOM 210 CB ARG A 17 0.994 11.806 -0.421 1.00 0.00 C ATOM 211 CG ARG A 17 0.071 10.706 0.115 1.00 0.00 C ATOM 212 CD ARG A 17 0.874 9.451 0.469 1.00 0.00 C ATOM 213 NE ARG A 17 0.130 8.567 1.377 1.00 0.00 N ATOM 214 CZ ARG A 17 -0.991 7.887 1.080 1.00 0.00 C ATOM 215 NH1 ARG A 17 -1.526 7.922 -0.150 1.00 0.00 N ATOM 216 NH2 ARG A 17 -1.586 7.159 2.035 1.00 0.00 N ATOM 0 H ARG A 17 2.073 13.898 -0.908 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.254 12.679 -1.955 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.652 11.385 -1.182 1.00 0.00 H new ATOM 0 HB3 ARG A 17 1.631 12.167 0.387 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.458 11.066 0.997 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.684 10.462 -0.632 1.00 0.00 H new ATOM 0 HD2 ARG A 17 1.123 8.909 -0.443 1.00 0.00 H new ATOM 0 HD3 ARG A 17 1.816 9.741 0.934 1.00 0.00 H new ATOM 0 HE ARG A 17 0.499 8.459 2.322 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -1.081 8.473 -0.884 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -2.377 7.397 -0.351 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -1.188 7.126 2.973 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -2.437 6.638 1.823 1.00 0.00 H new ATOM 230 N ALA A 18 -0.629 14.243 0.923 1.00 0.00 N ATOM 231 CA ALA A 18 -1.621 14.714 1.880 1.00 0.00 C ATOM 232 C ALA A 18 -2.681 15.540 1.156 1.00 0.00 C ATOM 233 O ALA A 18 -3.875 15.276 1.293 1.00 0.00 O ATOM 234 CB ALA A 18 -0.942 15.527 2.985 1.00 0.00 C ATOM 0 H ALA A 18 0.312 14.594 1.102 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.112 13.860 2.347 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.693 15.874 3.695 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.215 14.901 3.503 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.434 16.385 2.545 1.00 0.00 H new ATOM 240 N ALA A 19 -2.227 16.528 0.378 1.00 0.00 N ATOM 241 CA ALA A 19 -3.098 17.400 -0.394 1.00 0.00 C ATOM 242 C ALA A 19 -3.891 16.617 -1.436 1.00 0.00 C ATOM 243 O ALA A 19 -5.005 17.014 -1.767 1.00 0.00 O ATOM 244 CB ALA A 19 -2.285 18.505 -1.061 1.00 0.00 C ATOM 0 H ALA A 19 -1.235 16.741 0.270 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.812 17.853 0.294 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.950 19.150 -1.635 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.778 19.095 -0.298 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.545 18.061 -1.727 1.00 0.00 H new ATOM 250 N ALA A 20 -3.325 15.519 -1.958 1.00 0.00 N ATOM 251 CA ALA A 20 -4.009 14.701 -2.945 1.00 0.00 C ATOM 252 C ALA A 20 -5.121 13.881 -2.325 1.00 0.00 C ATOM 253 O ALA A 20 -6.224 13.848 -2.865 1.00 0.00 O ATOM 254 CB ALA A 20 -3.016 13.852 -3.745 1.00 0.00 C ATOM 0 H ALA A 20 -2.395 15.185 -1.707 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.492 15.370 -3.657 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.557 13.251 -4.476 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.313 14.505 -4.262 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.470 13.195 -3.067 1.00 0.00 H new ATOM 260 N ASN A 21 -4.839 13.225 -1.200 1.00 0.00 N ATOM 261 CA ASN A 21 -5.833 12.446 -0.488 1.00 0.00 C ATOM 262 C ASN A 21 -6.915 13.401 0.051 1.00 0.00 C ATOM 263 O ASN A 21 -8.039 12.975 0.332 1.00 0.00 O ATOM 264 CB ASN A 21 -5.133 11.682 0.642 1.00 0.00 C ATOM 265 CG ASN A 21 -6.089 10.739 1.368 1.00 0.00 C ATOM 266 OD1 ASN A 21 -6.361 9.640 0.887 1.00 0.00 O ATOM 267 ND2 ASN A 21 -6.597 11.162 2.529 1.00 0.00 N ATOM 0 H ASN A 21 -3.917 13.223 -0.764 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.317 11.721 -1.143 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.300 11.110 0.232 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.712 12.392 1.354 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -7.237 10.566 3.053 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.344 12.081 2.891 1.00 0.00 H new ATOM 274 N ALA A 22 -6.584 14.701 0.167 1.00 0.00 N ATOM 275 CA ALA A 22 -7.507 15.690 0.712 1.00 0.00 C ATOM 276 C ALA A 22 -8.474 16.023 -0.404 1.00 0.00 C ATOM 277 O ALA A 22 -9.677 15.810 -0.262 1.00 0.00 O ATOM 278 CB ALA A 22 -6.754 16.913 1.224 1.00 0.00 C ATOM 0 H ALA A 22 -5.680 15.082 -0.113 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.051 15.307 1.576 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.464 17.636 1.625 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.061 16.611 2.009 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.198 17.368 0.404 1.00 0.00 H new ATOM 284 N ALA A 23 -7.916 16.558 -1.496 1.00 0.00 N ATOM 285 CA ALA A 23 -8.639 16.893 -2.714 1.00 0.00 C ATOM 286 C ALA A 23 -9.597 15.752 -3.064 1.00 0.00 C ATOM 287 O ALA A 23 -10.780 16.002 -3.266 1.00 0.00 O ATOM 288 CB ALA A 23 -7.643 17.107 -3.856 1.00 0.00 C ATOM 0 H ALA A 23 -6.921 16.773 -1.552 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.210 17.809 -2.563 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.184 17.358 -4.768 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.966 17.922 -3.600 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.069 16.194 -4.014 1.00 0.00 H new ATOM 294 N CYS A 24 -9.074 14.515 -3.115 1.00 0.00 N ATOM 295 CA CYS A 24 -9.796 13.278 -3.402 1.00 0.00 C ATOM 296 C CYS A 24 -11.071 13.178 -2.568 1.00 0.00 C ATOM 297 O CYS A 24 -12.155 12.989 -3.114 1.00 0.00 O ATOM 298 CB CYS A 24 -8.905 12.070 -3.063 1.00 0.00 C ATOM 299 SG CYS A 24 -7.820 11.437 -4.371 1.00 0.00 S ATOM 0 H CYS A 24 -8.082 14.350 -2.947 1.00 0.00 H new ATOM 0 HA CYS A 24 -10.058 13.282 -4.460 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -8.282 12.340 -2.211 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -9.552 11.255 -2.739 1.00 0.00 H new ATOM 304 N GLN A 25 -10.938 13.303 -1.244 1.00 0.00 N ATOM 305 CA GLN A 25 -12.067 13.201 -0.332 1.00 0.00 C ATOM 306 C GLN A 25 -13.038 14.390 -0.392 1.00 0.00 C ATOM 307 O GLN A 25 -14.212 14.211 -0.077 1.00 0.00 O ATOM 308 CB GLN A 25 -11.507 13.006 1.084 1.00 0.00 C ATOM 309 CG GLN A 25 -12.596 12.747 2.131 1.00 0.00 C ATOM 310 CD GLN A 25 -11.994 12.310 3.465 1.00 0.00 C ATOM 311 OE1 GLN A 25 -12.273 11.213 3.944 1.00 0.00 O ATOM 312 NE2 GLN A 25 -11.165 13.165 4.069 1.00 0.00 N ATOM 0 H GLN A 25 -10.046 13.477 -0.782 1.00 0.00 H new ATOM 0 HA GLN A 25 -12.672 12.348 -0.637 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.809 12.169 1.080 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -10.940 13.892 1.369 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -13.186 13.652 2.276 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -13.277 11.977 1.768 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -10.959 14.066 3.638 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -10.738 12.917 4.961 1.00 0.00 H new ATOM 321 N TYR A 26 -12.583 15.586 -0.799 1.00 0.00 N ATOM 322 CA TYR A 26 -13.415 16.795 -0.828 1.00 0.00 C ATOM 323 C TYR A 26 -13.902 17.322 -2.183 1.00 0.00 C ATOM 324 O TYR A 26 -14.617 18.321 -2.194 1.00 0.00 O ATOM 325 CB TYR A 26 -12.636 17.899 -0.112 1.00 0.00 C ATOM 326 CG TYR A 26 -12.042 17.517 1.238 1.00 0.00 C ATOM 327 CD1 TYR A 26 -12.756 16.690 2.128 1.00 0.00 C ATOM 328 CD2 TYR A 26 -10.770 17.994 1.610 1.00 0.00 C ATOM 329 CE1 TYR A 26 -12.200 16.330 3.366 1.00 0.00 C ATOM 330 CE2 TYR A 26 -10.215 17.635 2.851 1.00 0.00 C ATOM 331 CZ TYR A 26 -10.926 16.794 3.725 1.00 0.00 C ATOM 332 OH TYR A 26 -10.379 16.435 4.923 1.00 0.00 O ATOM 0 H TYR A 26 -11.626 15.740 -1.117 1.00 0.00 H new ATOM 0 HA TYR A 26 -14.345 16.498 -0.343 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -11.827 18.230 -0.764 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -13.299 18.752 0.031 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -13.737 16.331 1.856 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -10.219 18.638 0.940 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -12.754 15.695 4.042 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -9.241 18.006 3.133 1.00 0.00 H new ATOM 0 HH TYR A 26 -9.492 16.842 5.013 1.00 0.00 H new ATOM 342 N TYR A 27 -13.532 16.709 -3.313 1.00 0.00 N ATOM 343 CA TYR A 27 -13.981 17.139 -4.645 1.00 0.00 C ATOM 344 C TYR A 27 -14.952 16.165 -5.329 1.00 0.00 C ATOM 345 O TYR A 27 -15.470 16.493 -6.396 1.00 0.00 O ATOM 346 CB TYR A 27 -12.777 17.442 -5.558 1.00 0.00 C ATOM 347 CG TYR A 27 -12.333 16.315 -6.464 1.00 0.00 C ATOM 348 CD1 TYR A 27 -12.080 15.052 -5.910 1.00 0.00 C ATOM 349 CD2 TYR A 27 -12.188 16.521 -7.854 1.00 0.00 C ATOM 350 CE1 TYR A 27 -11.677 13.988 -6.720 1.00 0.00 C ATOM 351 CE2 TYR A 27 -11.790 15.443 -8.669 1.00 0.00 C ATOM 352 CZ TYR A 27 -11.537 14.186 -8.096 1.00 0.00 C ATOM 353 OH TYR A 27 -11.142 13.147 -8.869 1.00 0.00 O ATOM 0 H TYR A 27 -12.912 15.899 -3.331 1.00 0.00 H new ATOM 0 HA TYR A 27 -14.551 18.054 -4.480 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -13.024 18.304 -6.178 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -11.934 17.731 -4.931 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -12.198 14.901 -4.847 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -12.380 17.492 -8.286 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -11.475 13.020 -6.286 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -11.679 15.583 -9.734 1.00 0.00 H new ATOM 0 HH TYR A 27 -11.111 12.330 -8.328 1.00 0.00 H new ATOM 363 N GLN A 28 -15.216 14.989 -4.742 1.00 0.00 N ATOM 364 CA GLN A 28 -16.092 13.987 -5.337 1.00 0.00 C ATOM 365 C GLN A 28 -17.568 14.330 -5.151 1.00 0.00 C ATOM 366 O GLN A 28 -18.273 14.549 -6.135 1.00 0.00 O ATOM 367 CB GLN A 28 -15.755 12.599 -4.772 1.00 0.00 C ATOM 368 CG GLN A 28 -14.407 12.130 -5.337 1.00 0.00 C ATOM 369 CD GLN A 28 -13.898 10.831 -4.717 1.00 0.00 C ATOM 370 OE1 GLN A 28 -14.596 10.179 -3.943 1.00 0.00 O ATOM 371 NE2 GLN A 28 -12.660 10.457 -5.058 1.00 0.00 N ATOM 0 H GLN A 28 -14.825 14.712 -3.842 1.00 0.00 H new ATOM 0 HA GLN A 28 -15.916 13.977 -6.413 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -15.711 12.638 -3.684 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -16.538 11.888 -5.034 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -14.502 11.995 -6.414 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -13.665 12.913 -5.179 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -12.115 11.028 -5.704 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -12.261 9.601 -4.672 1.00 0.00 H new ATOM 380 N ASN A 29 -18.029 14.383 -3.897 1.00 0.00 N ATOM 381 CA ASN A 29 -19.421 14.673 -3.571 1.00 0.00 C ATOM 382 C ASN A 29 -19.554 15.155 -2.128 1.00 0.00 C ATOM 383 O ASN A 29 -20.318 16.082 -1.861 1.00 0.00 O ATOM 384 CB ASN A 29 -20.279 13.425 -3.820 1.00 0.00 C ATOM 385 CG ASN A 29 -21.764 13.702 -3.600 1.00 0.00 C ATOM 386 OD1 ASN A 29 -22.324 14.613 -4.206 1.00 0.00 O ATOM 387 ND2 ASN A 29 -22.408 12.917 -2.733 1.00 0.00 N ATOM 0 H ASN A 29 -17.441 14.225 -3.079 1.00 0.00 H new ATOM 0 HA ASN A 29 -19.777 15.476 -4.216 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -20.122 13.074 -4.840 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -19.957 12.624 -3.155 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -23.401 13.063 -2.553 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -21.907 12.171 -2.250 1.00 0.00 H new ATOM 394 N ASP A 30 -18.820 14.520 -1.204 1.00 0.00 N ATOM 395 CA ASP A 30 -18.790 14.847 0.216 1.00 0.00 C ATOM 396 C ASP A 30 -17.811 16.008 0.404 1.00 0.00 C ATOM 397 O ASP A 30 -16.811 15.907 1.115 1.00 0.00 O ATOM 398 CB ASP A 30 -18.434 13.599 1.040 1.00 0.00 C ATOM 399 CG ASP A 30 -17.074 12.985 0.692 1.00 0.00 C ATOM 400 OD1 ASP A 30 -16.916 12.552 -0.471 1.00 0.00 O ATOM 401 OD2 ASP A 30 -16.217 12.954 1.602 1.00 0.00 O ATOM 0 H ASP A 30 -18.211 13.737 -1.440 1.00 0.00 H new ATOM 0 HA ASP A 30 -19.767 15.166 0.578 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -18.442 13.861 2.098 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -19.209 12.846 0.892 1.00 0.00 H new ATOM 406 N ASP A 31 -18.136 17.124 -0.253 1.00 0.00 N ATOM 407 CA ASP A 31 -17.363 18.350 -0.268 1.00 0.00 C ATOM 408 C ASP A 31 -17.404 19.051 1.087 1.00 0.00 C ATOM 409 O ASP A 31 -18.482 19.354 1.598 1.00 0.00 O ATOM 410 CB ASP A 31 -17.878 19.260 -1.395 1.00 0.00 C ATOM 411 CG ASP A 31 -18.113 18.511 -2.714 1.00 0.00 C ATOM 412 OD1 ASP A 31 -17.195 17.776 -3.141 1.00 0.00 O ATOM 413 OD2 ASP A 31 -19.220 18.680 -3.270 1.00 0.00 O ATOM 0 H ASP A 31 -18.986 17.192 -0.812 1.00 0.00 H new ATOM 0 HA ASP A 31 -16.317 18.110 -0.461 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -18.810 19.728 -1.079 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -17.160 20.062 -1.563 1.00 0.00 H new ATOM 418 N THR A 32 -16.221 19.293 1.667 1.00 0.00 N ATOM 419 CA THR A 32 -16.068 19.970 2.949 1.00 0.00 C ATOM 420 C THR A 32 -14.747 20.751 3.002 1.00 0.00 C ATOM 421 O THR A 32 -14.067 20.791 4.026 1.00 0.00 O ATOM 422 CB THR A 32 -16.323 18.999 4.113 1.00 0.00 C ATOM 423 OG1 THR A 32 -16.275 19.674 5.354 1.00 0.00 O ATOM 424 CG2 THR A 32 -15.328 17.847 4.099 1.00 0.00 C ATOM 0 H THR A 32 -15.333 19.017 1.247 1.00 0.00 H new ATOM 0 HA THR A 32 -16.836 20.735 3.063 1.00 0.00 H new ATOM 0 HB THR A 32 -17.323 18.586 3.982 1.00 0.00 H new ATOM 0 HG1 THR A 32 -15.545 20.328 5.343 1.00 0.00 H new ATOM 0 HG21 THR A 32 -15.534 17.178 4.934 1.00 0.00 H new ATOM 0 HG22 THR A 32 -15.421 17.297 3.162 1.00 0.00 H new ATOM 0 HG23 THR A 32 -14.315 18.240 4.190 1.00 0.00 H new ATOM 432 N ALA A 33 -14.406 21.382 1.871 1.00 0.00 N ATOM 433 CA ALA A 33 -13.223 22.200 1.661 1.00 0.00 C ATOM 434 C ALA A 33 -13.365 22.795 0.263 1.00 0.00 C ATOM 435 O ALA A 33 -13.181 22.081 -0.722 1.00 0.00 O ATOM 436 CB ALA A 33 -11.942 21.367 1.768 1.00 0.00 C ATOM 0 H ALA A 33 -14.988 21.327 1.035 1.00 0.00 H new ATOM 0 HA ALA A 33 -13.146 22.977 2.422 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -11.076 22.009 1.606 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -11.881 20.919 2.760 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -11.956 20.580 1.014 1.00 0.00 H new ATOM 442 N GLY A 34 -13.702 24.088 0.168 1.00 0.00 N ATOM 443 CA GLY A 34 -13.881 24.756 -1.112 1.00 0.00 C ATOM 444 C GLY A 34 -13.611 26.248 -0.995 1.00 0.00 C ATOM 445 O GLY A 34 -14.337 26.959 -0.303 1.00 0.00 O ATOM 0 H GLY A 34 -13.856 24.691 0.976 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -13.209 24.319 -1.851 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -14.898 24.595 -1.471 1.00 0.00 H new ATOM 449 N SER A 35 -12.552 26.709 -1.675 1.00 0.00 N ATOM 450 CA SER A 35 -12.117 28.095 -1.676 1.00 0.00 C ATOM 451 C SER A 35 -13.099 28.978 -2.447 1.00 0.00 C ATOM 452 O SER A 35 -13.770 29.812 -1.841 1.00 0.00 O ATOM 453 CB SER A 35 -10.683 28.175 -2.210 1.00 0.00 C ATOM 454 OG SER A 35 -10.574 27.665 -3.526 1.00 0.00 O ATOM 0 H SER A 35 -11.966 26.105 -2.251 1.00 0.00 H new ATOM 0 HA SER A 35 -12.110 28.483 -0.657 1.00 0.00 H new ATOM 0 HB2 SER A 35 -10.349 29.212 -2.195 1.00 0.00 H new ATOM 0 HB3 SER A 35 -10.019 27.617 -1.550 1.00 0.00 H new ATOM 0 HG SER A 35 -9.645 27.736 -3.828 1.00 0.00 H new ATOM 460 N SER A 36 -13.183 28.797 -3.771 1.00 0.00 N ATOM 461 CA SER A 36 -14.076 29.547 -4.644 1.00 0.00 C ATOM 462 C SER A 36 -14.601 28.611 -5.726 1.00 0.00 C ATOM 463 O SER A 36 -15.784 28.273 -5.728 1.00 0.00 O ATOM 464 CB SER A 36 -13.346 30.752 -5.252 1.00 0.00 C ATOM 465 OG SER A 36 -12.992 31.675 -4.245 1.00 0.00 O ATOM 0 H SER A 36 -12.618 28.109 -4.269 1.00 0.00 H new ATOM 0 HA SER A 36 -14.918 29.936 -4.071 1.00 0.00 H new ATOM 0 HB2 SER A 36 -12.451 30.416 -5.776 1.00 0.00 H new ATOM 0 HB3 SER A 36 -13.985 31.237 -5.990 1.00 0.00 H new ATOM 0 HG SER A 36 -12.526 32.437 -4.649 1.00 0.00 H new ATOM 471 N THR A 37 -13.713 28.200 -6.640 1.00 0.00 N ATOM 472 CA THR A 37 -14.019 27.298 -7.737 1.00 0.00 C ATOM 473 C THR A 37 -13.443 25.923 -7.396 1.00 0.00 C ATOM 474 O THR A 37 -14.202 24.962 -7.333 1.00 0.00 O ATOM 475 CB THR A 37 -13.528 27.882 -9.065 1.00 0.00 C ATOM 476 OG1 THR A 37 -12.135 28.103 -9.040 1.00 0.00 O ATOM 477 CG2 THR A 37 -14.234 29.193 -9.419 1.00 0.00 C ATOM 0 H THR A 37 -12.738 28.499 -6.629 1.00 0.00 H new ATOM 0 HA THR A 37 -15.094 27.176 -7.868 1.00 0.00 H new ATOM 0 HB THR A 37 -13.768 27.143 -9.829 1.00 0.00 H new ATOM 0 HG1 THR A 37 -11.666 27.250 -9.154 1.00 0.00 H new ATOM 0 HG21 THR A 37 -13.852 29.567 -10.369 1.00 0.00 H new ATOM 0 HG22 THR A 37 -15.306 29.017 -9.504 1.00 0.00 H new ATOM 0 HG23 THR A 37 -14.048 29.929 -8.637 1.00 0.00 H new ATOM 485 N TYR A 38 -12.123 25.825 -7.166 1.00 0.00 N ATOM 486 CA TYR A 38 -11.427 24.587 -6.794 1.00 0.00 C ATOM 487 C TYR A 38 -12.041 24.249 -5.431 1.00 0.00 C ATOM 488 O TYR A 38 -11.971 25.088 -4.530 1.00 0.00 O ATOM 489 CB TYR A 38 -9.895 24.800 -6.682 1.00 0.00 C ATOM 490 CG TYR A 38 -9.273 26.057 -7.285 1.00 0.00 C ATOM 491 CD1 TYR A 38 -9.600 26.454 -8.594 1.00 0.00 C ATOM 492 CD2 TYR A 38 -8.357 26.830 -6.545 1.00 0.00 C ATOM 493 CE1 TYR A 38 -9.046 27.620 -9.149 1.00 0.00 C ATOM 494 CE2 TYR A 38 -7.799 27.994 -7.098 1.00 0.00 C ATOM 495 CZ TYR A 38 -8.141 28.392 -8.401 1.00 0.00 C ATOM 496 OH TYR A 38 -7.590 29.519 -8.938 1.00 0.00 O ATOM 0 H TYR A 38 -11.496 26.627 -7.236 1.00 0.00 H new ATOM 0 HA TYR A 38 -11.545 23.794 -7.533 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -9.638 24.782 -5.623 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -9.409 23.940 -7.143 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -10.284 25.857 -9.179 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -8.082 26.526 -5.546 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -9.316 27.923 -10.150 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -7.105 28.585 -6.520 1.00 0.00 H new ATOM 0 HH TYR A 38 -7.180 30.054 -8.226 1.00 0.00 H new ATOM 506 N PRO A 39 -12.630 23.059 -5.226 1.00 0.00 N ATOM 507 CA PRO A 39 -12.729 21.921 -6.129 1.00 0.00 C ATOM 508 C PRO A 39 -13.704 22.059 -7.307 1.00 0.00 C ATOM 509 O PRO A 39 -14.894 22.300 -7.114 1.00 0.00 O ATOM 510 CB PRO A 39 -13.214 20.770 -5.244 1.00 0.00 C ATOM 511 CG PRO A 39 -14.002 21.445 -4.132 1.00 0.00 C ATOM 512 CD PRO A 39 -13.247 22.753 -3.953 1.00 0.00 C ATOM 0 HA PRO A 39 -11.756 21.790 -6.603 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -13.838 20.074 -5.805 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -12.377 20.197 -4.845 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -15.042 21.610 -4.412 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -14.009 20.850 -3.219 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -13.924 23.552 -3.650 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -12.493 22.660 -3.171 1.00 0.00 H new ATOM 520 N HIS A 40 -13.166 21.880 -8.523 1.00 0.00 N ATOM 521 CA HIS A 40 -13.835 21.908 -9.818 1.00 0.00 C ATOM 522 C HIS A 40 -12.799 21.564 -10.895 1.00 0.00 C ATOM 523 O HIS A 40 -11.604 21.456 -10.608 1.00 0.00 O ATOM 524 CB HIS A 40 -14.581 23.220 -10.133 1.00 0.00 C ATOM 525 CG HIS A 40 -13.721 24.299 -10.737 1.00 0.00 C ATOM 526 ND1 HIS A 40 -14.149 25.087 -11.795 1.00 0.00 N ATOM 527 CD2 HIS A 40 -12.449 24.729 -10.460 1.00 0.00 C ATOM 528 CE1 HIS A 40 -13.145 25.927 -12.098 1.00 0.00 C ATOM 529 NE2 HIS A 40 -12.077 25.761 -11.315 1.00 0.00 N ATOM 0 H HIS A 40 -12.168 21.697 -8.626 1.00 0.00 H new ATOM 0 HA HIS A 40 -14.632 21.164 -9.796 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -15.401 23.001 -10.817 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -15.026 23.600 -9.213 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -11.820 24.321 -9.682 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -13.197 26.659 -12.891 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -11.194 26.272 -11.338 1.00 0.00 H new ATOM 537 N THR A 41 -13.261 21.404 -12.139 1.00 0.00 N ATOM 538 CA THR A 41 -12.416 21.049 -13.269 1.00 0.00 C ATOM 539 C THR A 41 -11.505 22.191 -13.727 1.00 0.00 C ATOM 540 O THR A 41 -11.755 23.359 -13.439 1.00 0.00 O ATOM 541 CB THR A 41 -13.271 20.528 -14.430 1.00 0.00 C ATOM 542 OG1 THR A 41 -14.254 21.477 -14.791 1.00 0.00 O ATOM 543 CG2 THR A 41 -13.932 19.200 -14.051 1.00 0.00 C ATOM 0 H THR A 41 -14.244 21.520 -12.386 1.00 0.00 H new ATOM 0 HA THR A 41 -11.752 20.255 -12.927 1.00 0.00 H new ATOM 0 HB THR A 41 -12.619 20.363 -15.288 1.00 0.00 H new ATOM 0 HG1 THR A 41 -14.789 21.128 -15.534 1.00 0.00 H new ATOM 0 HG21 THR A 41 -14.536 18.843 -14.885 1.00 0.00 H new ATOM 0 HG22 THR A 41 -13.162 18.464 -13.819 1.00 0.00 H new ATOM 0 HG23 THR A 41 -14.569 19.347 -13.179 1.00 0.00 H new ATOM 551 N TYR A 42 -10.446 21.813 -14.455 1.00 0.00 N ATOM 552 CA TYR A 42 -9.424 22.672 -15.028 1.00 0.00 C ATOM 553 C TYR A 42 -9.464 22.532 -16.547 1.00 0.00 C ATOM 554 O TYR A 42 -9.274 21.440 -17.079 1.00 0.00 O ATOM 555 CB TYR A 42 -8.037 22.298 -14.474 1.00 0.00 C ATOM 556 CG TYR A 42 -6.872 22.920 -15.221 1.00 0.00 C ATOM 557 CD1 TYR A 42 -6.844 24.313 -15.414 1.00 0.00 C ATOM 558 CD2 TYR A 42 -5.821 22.125 -15.721 1.00 0.00 C ATOM 559 CE1 TYR A 42 -5.784 24.907 -16.117 1.00 0.00 C ATOM 560 CE2 TYR A 42 -4.757 22.721 -16.423 1.00 0.00 C ATOM 561 CZ TYR A 42 -4.743 24.112 -16.627 1.00 0.00 C ATOM 562 OH TYR A 42 -3.725 24.700 -17.318 1.00 0.00 O ATOM 0 H TYR A 42 -10.277 20.830 -14.669 1.00 0.00 H new ATOM 0 HA TYR A 42 -9.616 23.710 -14.758 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -7.984 22.600 -13.428 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -7.930 21.214 -14.499 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -7.640 24.927 -15.020 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -5.832 21.056 -15.565 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -5.768 25.977 -16.266 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -3.952 22.111 -16.805 1.00 0.00 H new ATOM 0 HH TYR A 42 -3.427 24.101 -18.034 1.00 0.00 H new ATOM 572 N ASN A 43 -9.725 23.650 -17.233 1.00 0.00 N ATOM 573 CA ASN A 43 -9.793 23.750 -18.684 1.00 0.00 C ATOM 574 C ASN A 43 -9.780 25.233 -19.076 1.00 0.00 C ATOM 575 O ASN A 43 -10.553 25.665 -19.932 1.00 0.00 O ATOM 576 CB ASN A 43 -11.022 22.997 -19.225 1.00 0.00 C ATOM 577 CG ASN A 43 -12.322 23.396 -18.523 1.00 0.00 C ATOM 578 OD1 ASN A 43 -13.025 24.297 -18.978 1.00 0.00 O ATOM 579 ND2 ASN A 43 -12.649 22.721 -17.416 1.00 0.00 N ATOM 0 H ASN A 43 -9.901 24.541 -16.769 1.00 0.00 H new ATOM 0 HA ASN A 43 -8.925 23.272 -19.139 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.118 23.189 -20.294 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.866 21.925 -19.107 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -13.509 22.947 -16.916 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -12.038 21.980 -17.071 1.00 0.00 H new ATOM 586 N ASN A 44 -8.884 26.007 -18.449 1.00 0.00 N ATOM 587 CA ASN A 44 -8.738 27.436 -18.673 1.00 0.00 C ATOM 588 C ASN A 44 -7.641 27.704 -19.702 1.00 0.00 C ATOM 589 O ASN A 44 -6.525 28.079 -19.344 1.00 0.00 O ATOM 590 CB ASN A 44 -8.459 28.139 -17.336 1.00 0.00 C ATOM 591 CG ASN A 44 -9.653 28.054 -16.383 1.00 0.00 C ATOM 592 OD1 ASN A 44 -10.462 28.977 -16.322 1.00 0.00 O ATOM 593 ND2 ASN A 44 -9.764 26.955 -15.630 1.00 0.00 N ATOM 0 H ASN A 44 -8.230 25.640 -17.758 1.00 0.00 H new ATOM 0 HA ASN A 44 -9.664 27.842 -19.080 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -7.586 27.688 -16.864 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -8.216 29.185 -17.520 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -10.541 26.861 -14.976 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -9.072 26.210 -15.710 1.00 0.00 H new ATOM 600 N TYR A 45 -7.971 27.497 -20.985 1.00 0.00 N ATOM 601 CA TYR A 45 -7.097 27.717 -22.134 1.00 0.00 C ATOM 602 C TYR A 45 -5.856 26.815 -22.146 1.00 0.00 C ATOM 603 O TYR A 45 -5.680 25.952 -21.287 1.00 0.00 O ATOM 604 CB TYR A 45 -6.712 29.205 -22.227 1.00 0.00 C ATOM 605 CG TYR A 45 -7.880 30.164 -22.087 1.00 0.00 C ATOM 606 CD1 TYR A 45 -8.856 30.230 -23.098 1.00 0.00 C ATOM 607 CD2 TYR A 45 -7.997 30.981 -20.946 1.00 0.00 C ATOM 608 CE1 TYR A 45 -9.941 31.114 -22.973 1.00 0.00 C ATOM 609 CE2 TYR A 45 -9.083 31.863 -20.821 1.00 0.00 C ATOM 610 CZ TYR A 45 -10.056 31.932 -21.835 1.00 0.00 C ATOM 611 OH TYR A 45 -11.104 32.797 -21.715 1.00 0.00 O ATOM 0 H TYR A 45 -8.894 27.158 -21.256 1.00 0.00 H new ATOM 0 HA TYR A 45 -7.665 27.436 -23.021 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.980 29.428 -21.451 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -6.225 29.383 -23.186 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -8.771 29.600 -23.971 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.251 30.929 -20.167 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -10.687 31.165 -23.752 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -9.171 32.489 -19.945 1.00 0.00 H new ATOM 0 HH TYR A 45 -11.030 33.285 -20.868 1.00 0.00 H new ATOM 621 N GLU A 46 -5.002 27.031 -23.156 1.00 0.00 N ATOM 622 CA GLU A 46 -3.748 26.321 -23.377 1.00 0.00 C ATOM 623 C GLU A 46 -2.669 26.772 -22.382 1.00 0.00 C ATOM 624 O GLU A 46 -2.950 27.530 -21.454 1.00 0.00 O ATOM 625 CB GLU A 46 -3.320 26.532 -24.840 1.00 0.00 C ATOM 626 CG GLU A 46 -2.921 27.984 -25.147 1.00 0.00 C ATOM 627 CD GLU A 46 -2.640 28.173 -26.634 1.00 0.00 C ATOM 628 OE1 GLU A 46 -1.522 27.805 -27.054 1.00 0.00 O ATOM 629 OE2 GLU A 46 -3.549 28.680 -27.326 1.00 0.00 O ATOM 0 H GLU A 46 -5.180 27.738 -23.869 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.888 25.254 -23.201 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -2.480 25.875 -25.065 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.138 26.239 -25.498 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.720 28.657 -24.836 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.036 28.251 -24.570 1.00 0.00 H new ATOM 636 N GLY A 47 -1.433 26.294 -22.581 1.00 0.00 N ATOM 637 CA GLY A 47 -0.280 26.615 -21.754 1.00 0.00 C ATOM 638 C GLY A 47 0.162 25.392 -20.958 1.00 0.00 C ATOM 639 O GLY A 47 1.337 25.026 -20.998 1.00 0.00 O ATOM 0 H GLY A 47 -1.210 25.656 -23.345 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.540 26.963 -22.382 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.528 27.429 -21.073 1.00 0.00 H new ATOM 643 N PHE A 48 -0.779 24.770 -20.232 1.00 0.00 N ATOM 644 CA PHE A 48 -0.536 23.582 -19.427 1.00 0.00 C ATOM 645 C PHE A 48 -1.688 22.592 -19.582 1.00 0.00 C ATOM 646 O PHE A 48 -2.858 22.959 -19.478 1.00 0.00 O ATOM 647 CB PHE A 48 -0.302 23.952 -17.953 1.00 0.00 C ATOM 648 CG PHE A 48 1.167 23.959 -17.581 1.00 0.00 C ATOM 649 CD1 PHE A 48 1.791 22.757 -17.194 1.00 0.00 C ATOM 650 CD2 PHE A 48 1.913 25.152 -17.631 1.00 0.00 C ATOM 651 CE1 PHE A 48 3.156 22.747 -16.859 1.00 0.00 C ATOM 652 CE2 PHE A 48 3.278 25.139 -17.296 1.00 0.00 C ATOM 653 CZ PHE A 48 3.899 23.939 -16.910 1.00 0.00 C ATOM 0 H PHE A 48 -1.746 25.092 -20.193 1.00 0.00 H new ATOM 0 HA PHE A 48 0.373 23.099 -19.786 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -0.727 24.936 -17.757 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.831 23.243 -17.316 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.220 21.841 -17.155 1.00 0.00 H new ATOM 0 HD2 PHE A 48 1.437 26.076 -17.926 1.00 0.00 H new ATOM 0 HE1 PHE A 48 3.633 21.825 -16.563 1.00 0.00 H new ATOM 0 HE2 PHE A 48 3.851 26.054 -17.335 1.00 0.00 H new ATOM 0 HZ PHE A 48 4.948 23.933 -16.652 1.00 0.00 H new ATOM 663 N ASP A 49 -1.323 21.331 -19.836 1.00 0.00 N ATOM 664 CA ASP A 49 -2.215 20.198 -20.012 1.00 0.00 C ATOM 665 C ASP A 49 -1.386 18.931 -19.804 1.00 0.00 C ATOM 666 O ASP A 49 -0.255 18.846 -20.284 1.00 0.00 O ATOM 667 CB ASP A 49 -2.883 20.228 -21.394 1.00 0.00 C ATOM 668 CG ASP A 49 -1.875 20.272 -22.542 1.00 0.00 C ATOM 669 OD1 ASP A 49 -1.406 21.390 -22.848 1.00 0.00 O ATOM 670 OD2 ASP A 49 -1.590 19.186 -23.093 1.00 0.00 O ATOM 0 H ASP A 49 -0.342 21.067 -19.928 1.00 0.00 H new ATOM 0 HA ASP A 49 -3.028 20.231 -19.287 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.515 19.347 -21.506 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -3.536 21.098 -21.457 1.00 0.00 H new ATOM 675 N PHE A 50 -1.948 17.958 -19.080 1.00 0.00 N ATOM 676 CA PHE A 50 -1.291 16.695 -18.764 1.00 0.00 C ATOM 677 C PHE A 50 -1.679 15.623 -19.786 1.00 0.00 C ATOM 678 O PHE A 50 -2.766 15.703 -20.358 1.00 0.00 O ATOM 679 CB PHE A 50 -1.663 16.308 -17.328 1.00 0.00 C ATOM 680 CG PHE A 50 -1.330 17.407 -16.337 1.00 0.00 C ATOM 681 CD1 PHE A 50 0.007 17.810 -16.159 1.00 0.00 C ATOM 682 CD2 PHE A 50 -2.350 18.037 -15.604 1.00 0.00 C ATOM 683 CE1 PHE A 50 0.323 18.840 -15.259 1.00 0.00 C ATOM 684 CE2 PHE A 50 -2.033 19.063 -14.701 1.00 0.00 C ATOM 685 CZ PHE A 50 -0.700 19.469 -14.530 1.00 0.00 C ATOM 0 H PHE A 50 -2.889 18.032 -18.692 1.00 0.00 H new ATOM 0 HA PHE A 50 -0.207 16.794 -18.824 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.729 16.085 -17.277 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.134 15.397 -17.050 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.794 17.324 -16.718 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -3.378 17.732 -15.736 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.350 19.148 -15.127 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.818 19.543 -14.135 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.461 20.264 -13.839 1.00 0.00 H new ATOM 695 N PRO A 51 -0.804 14.629 -20.034 1.00 0.00 N ATOM 696 CA PRO A 51 -1.035 13.552 -20.989 1.00 0.00 C ATOM 697 C PRO A 51 -2.016 12.503 -20.448 1.00 0.00 C ATOM 698 O PRO A 51 -1.642 11.361 -20.188 1.00 0.00 O ATOM 699 CB PRO A 51 0.357 12.973 -21.263 1.00 0.00 C ATOM 700 CG PRO A 51 1.054 13.138 -19.915 1.00 0.00 C ATOM 701 CD PRO A 51 0.509 14.476 -19.419 1.00 0.00 C ATOM 0 HA PRO A 51 -1.507 13.908 -21.904 1.00 0.00 H new ATOM 0 HB2 PRO A 51 0.309 11.928 -21.570 1.00 0.00 H new ATOM 0 HB3 PRO A 51 0.873 13.515 -22.056 1.00 0.00 H new ATOM 0 HG2 PRO A 51 0.813 12.324 -19.232 1.00 0.00 H new ATOM 0 HG3 PRO A 51 2.139 13.156 -20.019 1.00 0.00 H new ATOM 0 HD2 PRO A 51 0.434 14.488 -18.332 1.00 0.00 H new ATOM 0 HD3 PRO A 51 1.170 15.295 -19.702 1.00 0.00 H new ATOM 709 N VAL A 52 -3.279 12.910 -20.282 1.00 0.00 N ATOM 710 CA VAL A 52 -4.385 12.089 -19.807 1.00 0.00 C ATOM 711 C VAL A 52 -5.664 12.578 -20.486 1.00 0.00 C ATOM 712 O VAL A 52 -5.702 13.680 -21.037 1.00 0.00 O ATOM 713 CB VAL A 52 -4.517 12.122 -18.270 1.00 0.00 C ATOM 714 CG1 VAL A 52 -3.260 11.611 -17.556 1.00 0.00 C ATOM 715 CG2 VAL A 52 -4.882 13.513 -17.739 1.00 0.00 C ATOM 0 H VAL A 52 -3.566 13.867 -20.486 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.197 11.047 -20.067 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.338 11.442 -18.044 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.410 11.657 -16.477 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.067 10.580 -17.852 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.408 12.232 -17.831 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.962 13.478 -16.652 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.108 14.226 -18.023 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.836 13.826 -18.163 1.00 0.00 H new ATOM 725 N ASP A 53 -6.717 11.757 -20.440 1.00 0.00 N ATOM 726 CA ASP A 53 -8.006 12.062 -21.040 1.00 0.00 C ATOM 727 C ASP A 53 -8.691 13.242 -20.343 1.00 0.00 C ATOM 728 O ASP A 53 -9.215 14.127 -21.019 1.00 0.00 O ATOM 729 CB ASP A 53 -8.883 10.801 -21.057 1.00 0.00 C ATOM 730 CG ASP A 53 -9.151 10.238 -19.662 1.00 0.00 C ATOM 731 OD1 ASP A 53 -8.215 9.627 -19.101 1.00 0.00 O ATOM 732 OD2 ASP A 53 -10.290 10.426 -19.179 1.00 0.00 O ATOM 0 H ASP A 53 -6.691 10.849 -19.976 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.847 12.376 -22.072 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -9.834 11.033 -21.537 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -8.398 10.036 -21.664 1.00 0.00 H new ATOM 737 N GLY A 54 -8.683 13.268 -19.002 1.00 0.00 N ATOM 738 CA GLY A 54 -9.309 14.317 -18.208 1.00 0.00 C ATOM 739 C GLY A 54 -10.839 14.203 -18.252 1.00 0.00 C ATOM 740 O GLY A 54 -11.357 13.207 -18.759 1.00 0.00 O ATOM 0 H GLY A 54 -8.233 12.547 -18.438 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -8.966 14.250 -17.176 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.003 15.293 -18.583 1.00 0.00 H new ATOM 744 N PRO A 55 -11.594 15.187 -17.724 1.00 0.00 N ATOM 745 CA PRO A 55 -11.142 16.405 -17.051 1.00 0.00 C ATOM 746 C PRO A 55 -10.310 16.142 -15.791 1.00 0.00 C ATOM 747 O PRO A 55 -10.271 15.025 -15.284 1.00 0.00 O ATOM 748 CB PRO A 55 -12.417 17.170 -16.674 1.00 0.00 C ATOM 749 CG PRO A 55 -13.490 16.601 -17.600 1.00 0.00 C ATOM 750 CD PRO A 55 -13.045 15.150 -17.762 1.00 0.00 C ATOM 0 HA PRO A 55 -10.485 16.961 -17.720 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -12.676 17.019 -15.626 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -12.294 18.243 -16.820 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -14.485 16.674 -17.162 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -13.522 17.125 -18.555 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -13.443 14.525 -16.963 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -13.403 14.732 -18.703 1.00 0.00 H new ATOM 758 N TYR A 56 -9.649 17.187 -15.284 1.00 0.00 N ATOM 759 CA TYR A 56 -8.801 17.148 -14.114 1.00 0.00 C ATOM 760 C TYR A 56 -9.188 18.246 -13.126 1.00 0.00 C ATOM 761 O TYR A 56 -9.606 19.327 -13.518 1.00 0.00 O ATOM 762 CB TYR A 56 -7.349 17.315 -14.606 1.00 0.00 C ATOM 763 CG TYR A 56 -7.121 17.567 -16.095 1.00 0.00 C ATOM 764 CD1 TYR A 56 -7.326 18.852 -16.630 1.00 0.00 C ATOM 765 CD2 TYR A 56 -6.698 16.527 -16.946 1.00 0.00 C ATOM 766 CE1 TYR A 56 -7.107 19.102 -17.996 1.00 0.00 C ATOM 767 CE2 TYR A 56 -6.485 16.774 -18.315 1.00 0.00 C ATOM 768 CZ TYR A 56 -6.687 18.062 -18.840 1.00 0.00 C ATOM 769 OH TYR A 56 -6.469 18.308 -20.166 1.00 0.00 O ATOM 0 H TYR A 56 -9.700 18.116 -15.703 1.00 0.00 H new ATOM 0 HA TYR A 56 -8.913 16.203 -13.582 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -6.903 18.143 -14.055 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -6.798 16.416 -14.331 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -7.655 19.654 -15.985 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -6.537 15.537 -16.546 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -7.262 20.093 -18.396 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -6.166 15.972 -18.964 1.00 0.00 H new ATOM 0 HH TYR A 56 -6.182 17.482 -20.609 1.00 0.00 H new ATOM 779 N GLN A 57 -9.019 17.931 -11.839 1.00 0.00 N ATOM 780 CA GLN A 57 -9.323 18.739 -10.672 1.00 0.00 C ATOM 781 C GLN A 57 -8.153 19.581 -10.200 1.00 0.00 C ATOM 782 O GLN A 57 -7.022 19.100 -10.161 1.00 0.00 O ATOM 783 CB GLN A 57 -9.746 17.757 -9.575 1.00 0.00 C ATOM 784 CG GLN A 57 -9.376 18.065 -8.109 1.00 0.00 C ATOM 785 CD GLN A 57 -10.200 19.173 -7.465 1.00 0.00 C ATOM 786 OE1 GLN A 57 -10.953 19.875 -8.137 1.00 0.00 O ATOM 787 NE2 GLN A 57 -10.049 19.324 -6.146 1.00 0.00 N ATOM 0 H GLN A 57 -8.633 17.025 -11.573 1.00 0.00 H new ATOM 0 HA GLN A 57 -10.107 19.454 -10.921 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -10.830 17.655 -9.626 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -9.322 16.784 -9.824 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -9.492 17.155 -7.520 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -8.323 18.341 -8.065 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -9.411 18.716 -5.633 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -10.572 20.048 -5.652 1.00 0.00 H new ATOM 796 N GLU A 58 -8.449 20.835 -9.830 1.00 0.00 N ATOM 797 CA GLU A 58 -7.465 21.775 -9.317 1.00 0.00 C ATOM 798 C GLU A 58 -7.547 21.771 -7.795 1.00 0.00 C ATOM 799 O GLU A 58 -8.636 21.680 -7.230 1.00 0.00 O ATOM 800 CB GLU A 58 -7.652 23.206 -9.856 1.00 0.00 C ATOM 801 CG GLU A 58 -8.850 23.431 -10.783 1.00 0.00 C ATOM 802 CD GLU A 58 -8.752 24.773 -11.514 1.00 0.00 C ATOM 803 OE1 GLU A 58 -7.955 25.626 -11.069 1.00 0.00 O ATOM 804 OE2 GLU A 58 -9.474 24.924 -12.522 1.00 0.00 O ATOM 0 H GLU A 58 -9.392 21.221 -9.882 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.482 21.452 -9.659 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -7.745 23.882 -9.006 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.747 23.491 -10.392 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.904 22.622 -11.512 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -9.772 23.399 -10.202 1.00 0.00 H new ATOM 811 N PHE A 59 -6.390 21.863 -7.135 1.00 0.00 N ATOM 812 CA PHE A 59 -6.293 21.897 -5.690 1.00 0.00 C ATOM 813 C PHE A 59 -5.054 22.729 -5.358 1.00 0.00 C ATOM 814 O PHE A 59 -3.940 22.314 -5.659 1.00 0.00 O ATOM 815 CB PHE A 59 -6.222 20.477 -5.141 1.00 0.00 C ATOM 816 CG PHE A 59 -6.331 20.457 -3.635 1.00 0.00 C ATOM 817 CD1 PHE A 59 -7.596 20.362 -3.028 1.00 0.00 C ATOM 818 CD2 PHE A 59 -5.176 20.542 -2.840 1.00 0.00 C ATOM 819 CE1 PHE A 59 -7.698 20.333 -1.630 1.00 0.00 C ATOM 820 CE2 PHE A 59 -5.287 20.527 -1.441 1.00 0.00 C ATOM 821 CZ PHE A 59 -6.549 20.414 -0.838 1.00 0.00 C ATOM 0 H PHE A 59 -5.486 21.916 -7.605 1.00 0.00 H new ATOM 0 HA PHE A 59 -7.168 22.352 -5.225 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -7.025 19.879 -5.572 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -5.282 20.016 -5.444 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -8.486 20.312 -3.637 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.204 20.619 -3.305 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -8.668 20.248 -1.163 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -4.401 20.602 -0.828 1.00 0.00 H new ATOM 0 HZ PHE A 59 -6.633 20.390 0.238 1.00 0.00 H new ATOM 831 N PRO A 60 -5.198 23.897 -4.726 1.00 0.00 N ATOM 832 CA PRO A 60 -4.074 24.762 -4.442 1.00 0.00 C ATOM 833 C PRO A 60 -3.291 24.319 -3.199 1.00 0.00 C ATOM 834 O PRO A 60 -3.899 24.016 -2.173 1.00 0.00 O ATOM 835 CB PRO A 60 -4.733 26.126 -4.326 1.00 0.00 C ATOM 836 CG PRO A 60 -6.029 25.806 -3.585 1.00 0.00 C ATOM 837 CD PRO A 60 -6.432 24.471 -4.218 1.00 0.00 C ATOM 0 HA PRO A 60 -3.298 24.750 -5.207 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -4.112 26.831 -3.772 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -4.923 26.569 -5.304 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -5.874 25.718 -2.510 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -6.787 26.575 -3.736 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.898 23.813 -3.485 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -7.156 24.619 -5.020 1.00 0.00 H new ATOM 845 N ILE A 61 -1.949 24.269 -3.288 1.00 0.00 N ATOM 846 CA ILE A 61 -1.083 23.850 -2.187 1.00 0.00 C ATOM 847 C ILE A 61 -0.361 25.019 -1.559 1.00 0.00 C ATOM 848 O ILE A 61 -0.623 26.191 -1.811 1.00 0.00 O ATOM 849 CB ILE A 61 -0.103 22.749 -2.631 1.00 0.00 C ATOM 850 CG1 ILE A 61 0.562 21.778 -1.627 1.00 0.00 C ATOM 851 CG2 ILE A 61 0.843 23.213 -3.732 1.00 0.00 C ATOM 852 CD1 ILE A 61 0.701 20.359 -2.184 1.00 0.00 C ATOM 0 H ILE A 61 -1.439 24.521 -4.134 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.726 23.425 -1.416 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.844 22.048 -3.016 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.548 22.157 -1.359 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.028 21.749 -0.711 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.511 22.396 -4.006 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.265 23.517 -4.605 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.431 24.058 -3.374 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.174 19.720 -1.438 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.286 19.965 -2.426 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.314 20.380 -3.085 1.00 0.00 H new ATOM 864 N LYS A 62 0.559 24.582 -0.719 1.00 0.00 N ATOM 865 CA LYS A 62 1.480 25.388 0.079 1.00 0.00 C ATOM 866 C LYS A 62 2.694 24.583 0.567 1.00 0.00 C ATOM 867 O LYS A 62 2.912 23.448 0.151 1.00 0.00 O ATOM 868 CB LYS A 62 0.732 26.146 1.200 1.00 0.00 C ATOM 869 CG LYS A 62 0.876 27.674 1.068 1.00 0.00 C ATOM 870 CD LYS A 62 2.317 28.185 1.232 1.00 0.00 C ATOM 871 CE LYS A 62 2.415 29.705 1.071 1.00 0.00 C ATOM 872 NZ LYS A 62 1.853 30.409 2.234 1.00 0.00 N ATOM 0 H LYS A 62 0.696 23.584 -0.561 1.00 0.00 H new ATOM 0 HA LYS A 62 1.904 26.154 -0.571 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.324 25.879 1.174 1.00 0.00 H new ATOM 0 HB3 LYS A 62 1.117 25.829 2.169 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.502 27.980 0.091 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.244 28.154 1.816 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.691 27.901 2.215 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.958 27.701 0.495 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.459 29.991 0.941 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.886 30.011 0.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.237 31.181 1.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.299 29.743 2.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.626 30.802 2.809 1.00 0.00 H new ATOM 886 N SER A 63 3.478 25.185 1.471 1.00 0.00 N ATOM 887 CA SER A 63 4.683 24.639 2.079 1.00 0.00 C ATOM 888 C SER A 63 4.268 23.804 3.288 1.00 0.00 C ATOM 889 O SER A 63 4.610 24.110 4.430 1.00 0.00 O ATOM 890 CB SER A 63 5.640 25.784 2.430 1.00 0.00 C ATOM 891 OG SER A 63 6.852 25.273 2.942 1.00 0.00 O ATOM 0 H SER A 63 3.269 26.123 1.813 1.00 0.00 H new ATOM 0 HA SER A 63 5.223 23.986 1.394 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.838 26.386 1.543 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.176 26.442 3.165 1.00 0.00 H new ATOM 0 HG SER A 63 7.454 26.015 3.160 1.00 0.00 H new ATOM 897 N GLY A 64 3.511 22.743 3.001 1.00 0.00 N ATOM 898 CA GLY A 64 2.987 21.817 3.984 1.00 0.00 C ATOM 899 C GLY A 64 1.709 22.412 4.552 1.00 0.00 C ATOM 900 O GLY A 64 1.616 22.662 5.752 1.00 0.00 O ATOM 0 H GLY A 64 3.242 22.505 2.046 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.786 20.848 3.527 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.716 21.650 4.777 1.00 0.00 H new ATOM 904 N GLY A 65 0.734 22.642 3.665 1.00 0.00 N ATOM 905 CA GLY A 65 -0.545 23.221 4.012 1.00 0.00 C ATOM 906 C GLY A 65 -1.600 22.803 2.999 1.00 0.00 C ATOM 907 O GLY A 65 -1.692 23.391 1.922 1.00 0.00 O ATOM 0 H GLY A 65 0.825 22.423 2.673 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -0.840 22.898 5.010 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -0.466 24.308 4.039 1.00 0.00 H new ATOM 911 N VAL A 66 -2.382 21.775 3.351 1.00 0.00 N ATOM 912 CA VAL A 66 -3.468 21.261 2.528 1.00 0.00 C ATOM 913 C VAL A 66 -4.495 22.389 2.433 1.00 0.00 C ATOM 914 O VAL A 66 -4.632 23.164 3.380 1.00 0.00 O ATOM 915 CB VAL A 66 -4.052 19.997 3.187 1.00 0.00 C ATOM 916 CG1 VAL A 66 -5.313 19.476 2.486 1.00 0.00 C ATOM 917 CG2 VAL A 66 -2.998 18.882 3.216 1.00 0.00 C ATOM 0 H VAL A 66 -2.271 21.273 4.232 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.140 20.971 1.530 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.337 20.284 4.199 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.673 18.585 3.000 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.086 20.245 2.508 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.078 19.228 1.451 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.421 17.993 3.684 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.691 18.645 2.197 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.132 19.215 3.787 1.00 0.00 H new ATOM 927 N TYR A 67 -5.201 22.491 1.298 1.00 0.00 N ATOM 928 CA TYR A 67 -6.201 23.523 1.047 1.00 0.00 C ATOM 929 C TYR A 67 -5.487 24.871 0.888 1.00 0.00 C ATOM 930 O TYR A 67 -4.265 24.916 0.740 1.00 0.00 O ATOM 931 CB TYR A 67 -7.312 23.420 2.118 1.00 0.00 C ATOM 932 CG TYR A 67 -8.517 24.322 1.964 1.00 0.00 C ATOM 933 CD1 TYR A 67 -9.354 24.218 0.838 1.00 0.00 C ATOM 934 CD2 TYR A 67 -8.796 25.278 2.960 1.00 0.00 C ATOM 935 CE1 TYR A 67 -10.471 25.062 0.716 1.00 0.00 C ATOM 936 CE2 TYR A 67 -9.914 26.117 2.838 1.00 0.00 C ATOM 937 CZ TYR A 67 -10.752 26.010 1.718 1.00 0.00 C ATOM 938 OH TYR A 67 -11.837 26.830 1.623 1.00 0.00 O ATOM 0 H TYR A 67 -5.086 21.844 0.518 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.736 23.393 0.106 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -7.664 22.389 2.139 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -6.862 23.623 3.090 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -9.139 23.491 0.069 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -8.148 25.365 3.820 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -11.115 24.983 -0.148 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -10.129 26.845 3.606 1.00 0.00 H new ATOM 0 HH TYR A 67 -11.872 27.418 2.406 1.00 0.00 H new ATOM 948 N THR A 68 -6.238 25.973 0.908 1.00 0.00 N ATOM 949 CA THR A 68 -5.686 27.308 0.752 1.00 0.00 C ATOM 950 C THR A 68 -5.060 27.763 2.071 1.00 0.00 C ATOM 951 O THR A 68 -5.755 27.935 3.072 1.00 0.00 O ATOM 952 CB THR A 68 -6.782 28.285 0.299 1.00 0.00 C ATOM 953 OG1 THR A 68 -7.932 28.162 1.111 1.00 0.00 O ATOM 954 CG2 THR A 68 -7.166 28.041 -1.162 1.00 0.00 C ATOM 0 H THR A 68 -7.250 25.958 1.034 1.00 0.00 H new ATOM 0 HA THR A 68 -4.910 27.291 -0.014 1.00 0.00 H new ATOM 0 HB THR A 68 -6.380 29.294 0.397 1.00 0.00 H new ATOM 0 HG1 THR A 68 -7.661 28.026 2.043 1.00 0.00 H new ATOM 0 HG21 THR A 68 -7.943 28.746 -1.456 1.00 0.00 H new ATOM 0 HG22 THR A 68 -6.291 28.180 -1.796 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.538 27.023 -1.275 1.00 0.00 H new ATOM 962 N GLY A 69 -3.733 27.944 2.045 1.00 0.00 N ATOM 963 CA GLY A 69 -2.930 28.358 3.182 1.00 0.00 C ATOM 964 C GLY A 69 -2.750 29.876 3.196 1.00 0.00 C ATOM 965 O GLY A 69 -3.724 30.617 3.067 1.00 0.00 O ATOM 0 H GLY A 69 -3.180 27.799 1.200 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.408 28.035 4.107 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -1.955 27.872 3.141 1.00 0.00 H new ATOM 969 N GLY A 70 -1.499 30.332 3.344 1.00 0.00 N ATOM 970 CA GLY A 70 -1.144 31.742 3.402 1.00 0.00 C ATOM 971 C GLY A 70 -1.014 32.382 2.020 1.00 0.00 C ATOM 972 O GLY A 70 0.097 32.671 1.578 1.00 0.00 O ATOM 0 H GLY A 70 -0.694 29.711 3.428 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.900 32.278 3.975 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -0.201 31.852 3.938 1.00 0.00 H new ATOM 976 N SER A 71 -2.152 32.611 1.350 1.00 0.00 N ATOM 977 CA SER A 71 -2.241 33.233 0.031 1.00 0.00 C ATOM 978 C SER A 71 -1.412 32.486 -1.026 1.00 0.00 C ATOM 979 O SER A 71 -0.399 33.011 -1.484 1.00 0.00 O ATOM 980 CB SER A 71 -1.859 34.721 0.123 1.00 0.00 C ATOM 981 OG SER A 71 -2.692 35.389 1.047 1.00 0.00 O ATOM 0 H SER A 71 -3.065 32.358 1.729 1.00 0.00 H new ATOM 0 HA SER A 71 -3.276 33.166 -0.304 1.00 0.00 H new ATOM 0 HB2 SER A 71 -0.817 34.817 0.428 1.00 0.00 H new ATOM 0 HB3 SER A 71 -1.948 35.187 -0.858 1.00 0.00 H new ATOM 0 HG SER A 71 -2.435 36.334 1.095 1.00 0.00 H new ATOM 987 N PRO A 72 -1.825 31.271 -1.425 1.00 0.00 N ATOM 988 CA PRO A 72 -1.142 30.461 -2.427 1.00 0.00 C ATOM 989 C PRO A 72 -1.385 30.998 -3.844 1.00 0.00 C ATOM 990 O PRO A 72 -2.278 30.529 -4.549 1.00 0.00 O ATOM 991 CB PRO A 72 -1.723 29.059 -2.239 1.00 0.00 C ATOM 992 CG PRO A 72 -3.156 29.334 -1.794 1.00 0.00 C ATOM 993 CD PRO A 72 -2.993 30.569 -0.911 1.00 0.00 C ATOM 0 HA PRO A 72 -0.059 30.473 -2.305 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -1.692 28.483 -3.164 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -1.171 28.491 -1.490 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -3.815 29.524 -2.641 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -3.579 28.494 -1.243 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -3.880 31.201 -0.955 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -2.853 30.288 0.133 1.00 0.00 H new ATOM 1001 N GLY A 73 -0.572 31.979 -4.262 1.00 0.00 N ATOM 1002 CA GLY A 73 -0.668 32.617 -5.567 1.00 0.00 C ATOM 1003 C GLY A 73 0.374 32.120 -6.574 1.00 0.00 C ATOM 1004 O GLY A 73 0.800 32.899 -7.425 1.00 0.00 O ATOM 0 H GLY A 73 0.182 32.352 -3.686 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.664 32.444 -5.974 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.556 33.694 -5.444 1.00 0.00 H new ATOM 1008 N ALA A 74 0.796 30.848 -6.492 1.00 0.00 N ATOM 1009 CA ALA A 74 1.768 30.285 -7.423 1.00 0.00 C ATOM 1010 C ALA A 74 1.658 28.765 -7.485 1.00 0.00 C ATOM 1011 O ALA A 74 1.201 28.249 -8.497 1.00 0.00 O ATOM 1012 CB ALA A 74 3.204 30.736 -7.113 1.00 0.00 C ATOM 0 H ALA A 74 0.472 30.191 -5.782 1.00 0.00 H new ATOM 0 HA ALA A 74 1.526 30.677 -8.411 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.889 30.290 -7.834 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.266 31.822 -7.178 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.477 30.416 -6.107 1.00 0.00 H new ATOM 1018 N ASP A 75 2.082 28.067 -6.424 1.00 0.00 N ATOM 1019 CA ASP A 75 2.089 26.612 -6.291 1.00 0.00 C ATOM 1020 C ASP A 75 0.696 25.963 -6.186 1.00 0.00 C ATOM 1021 O ASP A 75 0.012 26.077 -5.166 1.00 0.00 O ATOM 1022 CB ASP A 75 2.993 26.239 -5.110 1.00 0.00 C ATOM 1023 CG ASP A 75 2.696 27.070 -3.861 1.00 0.00 C ATOM 1024 OD1 ASP A 75 3.283 28.170 -3.754 1.00 0.00 O ATOM 1025 OD2 ASP A 75 1.891 26.594 -3.036 1.00 0.00 O ATOM 0 H ASP A 75 2.448 28.531 -5.593 1.00 0.00 H new ATOM 0 HA ASP A 75 2.486 26.201 -7.219 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.865 25.182 -4.878 1.00 0.00 H new ATOM 0 HB3 ASP A 75 4.035 26.379 -5.396 1.00 0.00 H new ATOM 1030 N ARG A 76 0.294 25.263 -7.261 1.00 0.00 N ATOM 1031 CA ARG A 76 -0.979 24.562 -7.381 1.00 0.00 C ATOM 1032 C ARG A 76 -0.789 23.106 -7.816 1.00 0.00 C ATOM 1033 O ARG A 76 -0.134 22.865 -8.831 1.00 0.00 O ATOM 1034 CB ARG A 76 -1.847 25.216 -8.473 1.00 0.00 C ATOM 1035 CG ARG A 76 -1.993 26.738 -8.432 1.00 0.00 C ATOM 1036 CD ARG A 76 -2.686 27.234 -7.166 1.00 0.00 C ATOM 1037 NE ARG A 76 -3.090 28.638 -7.303 1.00 0.00 N ATOM 1038 CZ ARG A 76 -4.146 29.055 -8.022 1.00 0.00 C ATOM 1039 NH1 ARG A 76 -4.936 28.181 -8.665 1.00 0.00 N ATOM 1040 NH2 ARG A 76 -4.416 30.365 -8.106 1.00 0.00 N ATOM 0 H ARG A 76 0.873 25.172 -8.095 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.447 24.611 -6.398 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.432 24.943 -9.443 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.844 24.779 -8.418 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -1.006 27.195 -8.503 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.559 27.067 -9.303 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.562 26.618 -6.962 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.015 27.127 -6.314 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.533 29.344 -6.821 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.739 27.182 -8.613 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.733 28.516 -9.206 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.821 31.040 -7.626 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -5.216 30.687 -8.650 1.00 0.00 H new ATOM 1054 N VAL A 77 -1.341 22.137 -7.066 1.00 0.00 N ATOM 1055 CA VAL A 77 -1.268 20.728 -7.448 1.00 0.00 C ATOM 1056 C VAL A 77 -2.550 20.445 -8.222 1.00 0.00 C ATOM 1057 O VAL A 77 -3.604 20.989 -7.903 1.00 0.00 O ATOM 1058 CB VAL A 77 -1.077 19.733 -6.296 1.00 0.00 C ATOM 1059 CG1 VAL A 77 0.299 19.899 -5.652 1.00 0.00 C ATOM 1060 CG2 VAL A 77 -2.156 19.795 -5.212 1.00 0.00 C ATOM 0 H VAL A 77 -1.841 22.310 -6.194 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.366 20.575 -8.041 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.164 18.751 -6.762 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.409 19.182 -4.838 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.074 19.723 -6.398 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.397 20.911 -5.259 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.939 19.057 -4.440 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.170 20.791 -4.769 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.129 19.581 -5.654 1.00 0.00 H new ATOM 1070 N VAL A 78 -2.471 19.596 -9.247 1.00 0.00 N ATOM 1071 CA VAL A 78 -3.626 19.291 -10.075 1.00 0.00 C ATOM 1072 C VAL A 78 -3.648 17.779 -10.352 1.00 0.00 C ATOM 1073 O VAL A 78 -2.660 17.193 -10.802 1.00 0.00 O ATOM 1074 CB VAL A 78 -3.567 20.229 -11.299 1.00 0.00 C ATOM 1075 CG1 VAL A 78 -4.730 20.008 -12.274 1.00 0.00 C ATOM 1076 CG2 VAL A 78 -3.573 21.720 -10.871 1.00 0.00 C ATOM 0 H VAL A 78 -1.617 19.110 -9.520 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.588 19.486 -9.601 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.633 19.985 -11.805 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.636 20.695 -13.115 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.708 18.982 -12.640 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.674 20.190 -11.761 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.531 22.353 -11.757 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.485 21.935 -10.315 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.707 21.921 -10.240 1.00 0.00 H new ATOM 1086 N ILE A 79 -4.800 17.156 -10.058 1.00 0.00 N ATOM 1087 CA ILE A 79 -5.043 15.724 -10.204 1.00 0.00 C ATOM 1088 C ILE A 79 -6.088 15.436 -11.283 1.00 0.00 C ATOM 1089 O ILE A 79 -6.717 16.356 -11.795 1.00 0.00 O ATOM 1090 CB ILE A 79 -5.422 15.121 -8.833 1.00 0.00 C ATOM 1091 CG1 ILE A 79 -6.838 15.518 -8.376 1.00 0.00 C ATOM 1092 CG2 ILE A 79 -4.409 15.547 -7.756 1.00 0.00 C ATOM 1093 CD1 ILE A 79 -7.291 14.733 -7.140 1.00 0.00 C ATOM 0 H ILE A 79 -5.612 17.659 -9.700 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.127 15.240 -10.543 1.00 0.00 H new ATOM 0 HB ILE A 79 -5.403 14.039 -8.961 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -6.860 16.585 -8.154 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.542 15.347 -9.191 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -4.693 15.113 -6.797 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.415 15.197 -8.033 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.401 16.634 -7.674 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.295 15.048 -6.856 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -7.296 13.667 -7.368 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -6.604 14.924 -6.316 1.00 0.00 H new ATOM 1105 N ASN A 80 -6.260 14.153 -11.627 1.00 0.00 N ATOM 1106 CA ASN A 80 -7.214 13.652 -12.610 1.00 0.00 C ATOM 1107 C ASN A 80 -8.557 13.458 -11.905 1.00 0.00 C ATOM 1108 O ASN A 80 -8.601 13.455 -10.674 1.00 0.00 O ATOM 1109 CB ASN A 80 -6.687 12.340 -13.213 1.00 0.00 C ATOM 1110 CG ASN A 80 -7.463 11.877 -14.449 1.00 0.00 C ATOM 1111 OD1 ASN A 80 -8.155 12.660 -15.097 1.00 0.00 O ATOM 1112 ND2 ASN A 80 -7.341 10.591 -14.786 1.00 0.00 N ATOM 0 H ASN A 80 -5.709 13.406 -11.204 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.345 14.356 -13.431 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -5.638 12.468 -13.480 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -6.729 11.559 -12.454 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -7.831 10.230 -15.605 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -6.758 9.970 -14.225 1.00 0.00 H new ATOM 1119 N THR A 81 -9.650 13.280 -12.665 1.00 0.00 N ATOM 1120 CA THR A 81 -10.981 13.125 -12.089 1.00 0.00 C ATOM 1121 C THR A 81 -11.357 11.750 -11.541 1.00 0.00 C ATOM 1122 O THR A 81 -12.428 11.211 -11.814 1.00 0.00 O ATOM 1123 CB THR A 81 -12.058 13.834 -12.914 1.00 0.00 C ATOM 1124 OG1 THR A 81 -13.243 13.978 -12.157 1.00 0.00 O ATOM 1125 CG2 THR A 81 -12.362 13.095 -14.211 1.00 0.00 C ATOM 0 H THR A 81 -9.629 13.241 -13.684 1.00 0.00 H new ATOM 0 HA THR A 81 -10.920 13.668 -11.146 1.00 0.00 H new ATOM 0 HB THR A 81 -11.669 14.819 -13.174 1.00 0.00 H new ATOM 0 HG1 THR A 81 -13.922 14.434 -12.696 1.00 0.00 H new ATOM 0 HG21 THR A 81 -13.131 13.633 -14.765 1.00 0.00 H new ATOM 0 HG22 THR A 81 -11.457 13.033 -14.815 1.00 0.00 H new ATOM 0 HG23 THR A 81 -12.716 12.090 -13.983 1.00 0.00 H new ATOM 1133 N ASN A 82 -10.447 11.200 -10.742 1.00 0.00 N ATOM 1134 CA ASN A 82 -10.588 9.946 -10.048 1.00 0.00 C ATOM 1135 C ASN A 82 -9.875 10.230 -8.727 1.00 0.00 C ATOM 1136 O ASN A 82 -10.510 10.592 -7.738 1.00 0.00 O ATOM 1137 CB ASN A 82 -9.998 8.803 -10.889 1.00 0.00 C ATOM 1138 CG ASN A 82 -9.883 7.503 -10.095 1.00 0.00 C ATOM 1139 OD1 ASN A 82 -10.856 7.054 -9.493 1.00 0.00 O ATOM 1140 ND2 ASN A 82 -8.691 6.900 -10.088 1.00 0.00 N ATOM 0 H ASN A 82 -9.549 11.649 -10.559 1.00 0.00 H new ATOM 0 HA ASN A 82 -11.609 9.609 -9.871 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -10.625 8.638 -11.765 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -9.012 9.093 -11.253 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -8.562 6.032 -9.569 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -7.910 7.308 -10.602 1.00 0.00 H new ATOM 1147 N CYS A 83 -8.558 10.042 -8.740 1.00 0.00 N ATOM 1148 CA CYS A 83 -7.636 10.264 -7.629 1.00 0.00 C ATOM 1149 C CYS A 83 -6.154 10.347 -8.033 1.00 0.00 C ATOM 1150 O CYS A 83 -5.315 10.607 -7.172 1.00 0.00 O ATOM 1151 CB CYS A 83 -7.884 9.257 -6.494 1.00 0.00 C ATOM 1152 SG CYS A 83 -8.921 9.895 -5.146 1.00 0.00 S ATOM 0 H CYS A 83 -8.077 9.711 -9.576 1.00 0.00 H new ATOM 0 HA CYS A 83 -7.862 11.261 -7.252 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -8.356 8.367 -6.910 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -6.924 8.946 -6.083 1.00 0.00 H new ATOM 1157 N GLU A 84 -5.809 10.144 -9.315 1.00 0.00 N ATOM 1158 CA GLU A 84 -4.427 10.121 -9.773 1.00 0.00 C ATOM 1159 C GLU A 84 -3.801 11.496 -9.967 1.00 0.00 C ATOM 1160 O GLU A 84 -4.302 12.306 -10.738 1.00 0.00 O ATOM 1161 CB GLU A 84 -4.338 9.315 -11.078 1.00 0.00 C ATOM 1162 CG GLU A 84 -4.845 7.873 -10.930 1.00 0.00 C ATOM 1163 CD GLU A 84 -4.047 7.080 -9.898 1.00 0.00 C ATOM 1164 OE1 GLU A 84 -2.956 6.596 -10.272 1.00 0.00 O ATOM 1165 OE2 GLU A 84 -4.541 6.971 -8.753 1.00 0.00 O ATOM 0 H GLU A 84 -6.490 9.992 -10.059 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.850 9.648 -8.978 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.918 9.820 -11.851 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.302 9.297 -11.417 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.896 7.888 -10.640 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -4.788 7.369 -11.895 1.00 0.00 H new ATOM 1172 N TYR A 85 -2.689 11.737 -9.262 1.00 0.00 N ATOM 1173 CA TYR A 85 -1.911 12.963 -9.314 1.00 0.00 C ATOM 1174 C TYR A 85 -1.368 13.088 -10.743 1.00 0.00 C ATOM 1175 O TYR A 85 -0.585 12.242 -11.173 1.00 0.00 O ATOM 1176 CB TYR A 85 -0.831 12.869 -8.219 1.00 0.00 C ATOM 1177 CG TYR A 85 0.280 13.901 -8.219 1.00 0.00 C ATOM 1178 CD1 TYR A 85 0.089 15.178 -8.779 1.00 0.00 C ATOM 1179 CD2 TYR A 85 1.526 13.576 -7.642 1.00 0.00 C ATOM 1180 CE1 TYR A 85 1.138 16.108 -8.771 1.00 0.00 C ATOM 1181 CE2 TYR A 85 2.576 14.504 -7.654 1.00 0.00 C ATOM 1182 CZ TYR A 85 2.385 15.771 -8.221 1.00 0.00 C ATOM 1183 OH TYR A 85 3.409 16.667 -8.228 1.00 0.00 O ATOM 0 H TYR A 85 -2.298 11.051 -8.617 1.00 0.00 H new ATOM 0 HA TYR A 85 -2.482 13.869 -9.110 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -1.332 12.919 -7.252 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -0.370 11.884 -8.289 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -0.864 15.441 -9.214 1.00 0.00 H new ATOM 0 HD2 TYR A 85 1.671 12.607 -7.189 1.00 0.00 H new ATOM 0 HE1 TYR A 85 0.986 17.091 -9.191 1.00 0.00 H new ATOM 0 HE2 TYR A 85 3.533 14.243 -7.226 1.00 0.00 H new ATOM 0 HH TYR A 85 4.248 16.203 -8.432 1.00 0.00 H new ATOM 1193 N ALA A 86 -1.769 14.143 -11.473 1.00 0.00 N ATOM 1194 CA ALA A 86 -1.373 14.360 -12.857 1.00 0.00 C ATOM 1195 C ALA A 86 -0.072 15.149 -12.929 1.00 0.00 C ATOM 1196 O ALA A 86 0.873 14.717 -13.589 1.00 0.00 O ATOM 1197 CB ALA A 86 -2.503 15.068 -13.611 1.00 0.00 C ATOM 0 H ALA A 86 -2.383 14.871 -11.107 1.00 0.00 H new ATOM 0 HA ALA A 86 -1.193 13.397 -13.334 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.204 15.229 -14.647 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.401 14.451 -13.584 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -2.709 16.029 -13.139 1.00 0.00 H new ATOM 1203 N GLY A 87 -0.029 16.306 -12.262 1.00 0.00 N ATOM 1204 CA GLY A 87 1.161 17.132 -12.249 1.00 0.00 C ATOM 1205 C GLY A 87 0.972 18.378 -11.396 1.00 0.00 C ATOM 1206 O GLY A 87 -0.141 18.881 -11.243 1.00 0.00 O ATOM 0 H GLY A 87 -0.810 16.684 -11.726 1.00 0.00 H new ATOM 0 HA2 GLY A 87 2.002 16.553 -11.866 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.413 17.424 -13.269 1.00 0.00 H new ATOM 1210 N ALA A 88 2.092 18.850 -10.836 1.00 0.00 N ATOM 1211 CA ALA A 88 2.159 20.028 -9.992 1.00 0.00 C ATOM 1212 C ALA A 88 2.822 21.141 -10.785 1.00 0.00 C ATOM 1213 O ALA A 88 3.881 20.939 -11.379 1.00 0.00 O ATOM 1214 CB ALA A 88 2.944 19.718 -8.719 1.00 0.00 C ATOM 0 H ALA A 88 2.999 18.402 -10.967 1.00 0.00 H new ATOM 0 HA ALA A 88 1.158 20.340 -9.693 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.988 20.609 -8.093 1.00 0.00 H new ATOM 0 HB2 ALA A 88 2.449 18.915 -8.173 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.956 19.409 -8.982 1.00 0.00 H new ATOM 1220 N ILE A 89 2.179 22.310 -10.784 1.00 0.00 N ATOM 1221 CA ILE A 89 2.620 23.501 -11.484 1.00 0.00 C ATOM 1222 C ILE A 89 2.782 24.631 -10.468 1.00 0.00 C ATOM 1223 O ILE A 89 2.185 24.581 -9.393 1.00 0.00 O ATOM 1224 CB ILE A 89 1.640 23.817 -12.628 1.00 0.00 C ATOM 1225 CG1 ILE A 89 0.189 23.965 -12.127 1.00 0.00 C ATOM 1226 CG2 ILE A 89 1.739 22.710 -13.686 1.00 0.00 C ATOM 1227 CD1 ILE A 89 -0.758 24.483 -13.215 1.00 0.00 C ATOM 0 H ILE A 89 1.306 22.450 -10.275 1.00 0.00 H new ATOM 0 HA ILE A 89 3.592 23.357 -11.955 1.00 0.00 H new ATOM 0 HB ILE A 89 1.917 24.776 -13.065 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.168 23.000 -11.768 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.169 24.648 -11.278 1.00 0.00 H new ATOM 0 HG21 ILE A 89 1.048 22.924 -14.502 1.00 0.00 H new ATOM 0 HG22 ILE A 89 2.757 22.667 -14.074 1.00 0.00 H new ATOM 0 HG23 ILE A 89 1.482 21.752 -13.235 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -1.766 24.569 -12.809 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -0.420 25.461 -13.556 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.763 23.788 -14.055 1.00 0.00 H new ATOM 1239 N THR A 90 3.594 25.644 -10.793 1.00 0.00 N ATOM 1240 CA THR A 90 3.843 26.756 -9.890 1.00 0.00 C ATOM 1241 C THR A 90 4.311 28.047 -10.567 1.00 0.00 C ATOM 1242 O THR A 90 5.007 27.987 -11.579 1.00 0.00 O ATOM 1243 CB THR A 90 4.935 26.309 -8.901 1.00 0.00 C ATOM 1244 OG1 THR A 90 5.164 27.321 -7.940 1.00 0.00 O ATOM 1245 CG2 THR A 90 6.244 25.996 -9.646 1.00 0.00 C ATOM 0 H THR A 90 4.089 25.709 -11.682 1.00 0.00 H new ATOM 0 HA THR A 90 2.891 26.995 -9.415 1.00 0.00 H new ATOM 0 HB THR A 90 4.593 25.405 -8.397 1.00 0.00 H new ATOM 0 HG1 THR A 90 6.041 27.186 -7.525 1.00 0.00 H new ATOM 0 HG21 THR A 90 7.004 25.682 -8.930 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.071 25.196 -10.366 1.00 0.00 H new ATOM 0 HG23 THR A 90 6.586 26.888 -10.170 1.00 0.00 H new ATOM 1253 N HIS A 91 3.909 29.209 -10.018 1.00 0.00 N ATOM 1254 CA HIS A 91 4.391 30.505 -10.511 1.00 0.00 C ATOM 1255 C HIS A 91 5.743 30.792 -9.827 1.00 0.00 C ATOM 1256 O HIS A 91 5.837 31.741 -9.047 1.00 0.00 O ATOM 1257 CB HIS A 91 3.466 31.734 -10.317 1.00 0.00 C ATOM 1258 CG HIS A 91 2.056 31.672 -10.820 1.00 0.00 C ATOM 1259 ND1 HIS A 91 1.157 32.707 -10.608 1.00 0.00 N ATOM 1260 CD2 HIS A 91 1.360 30.727 -11.516 1.00 0.00 C ATOM 1261 CE1 HIS A 91 -0.009 32.342 -11.163 1.00 0.00 C ATOM 1262 NE2 HIS A 91 0.051 31.142 -11.742 1.00 0.00 N ATOM 0 H HIS A 91 3.255 29.273 -9.238 1.00 0.00 H new ATOM 0 HA HIS A 91 4.449 30.390 -11.593 1.00 0.00 H new ATOM 0 HB2 HIS A 91 3.425 31.949 -9.249 1.00 0.00 H new ATOM 0 HB3 HIS A 91 3.948 32.587 -10.795 1.00 0.00 H new ATOM 0 HD2 HIS A 91 1.770 29.784 -11.847 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -0.899 32.953 -11.143 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -0.690 30.644 -12.236 1.00 0.00 H new ATOM 1270 N THR A 92 6.789 29.989 -10.091 1.00 0.00 N ATOM 1271 CA THR A 92 8.120 30.189 -9.503 1.00 0.00 C ATOM 1272 C THR A 92 8.580 31.633 -9.705 1.00 0.00 C ATOM 1273 O THR A 92 9.060 32.282 -8.775 1.00 0.00 O ATOM 1274 CB THR A 92 9.140 29.205 -10.102 1.00 0.00 C ATOM 1275 OG1 THR A 92 8.836 27.890 -9.691 1.00 0.00 O ATOM 1276 CG2 THR A 92 10.579 29.508 -9.664 1.00 0.00 C ATOM 0 H THR A 92 6.733 29.186 -10.717 1.00 0.00 H new ATOM 0 HA THR A 92 8.053 29.993 -8.433 1.00 0.00 H new ATOM 0 HB THR A 92 9.073 29.312 -11.185 1.00 0.00 H new ATOM 0 HG1 THR A 92 9.488 27.268 -10.077 1.00 0.00 H new ATOM 0 HG21 THR A 92 11.257 28.784 -10.115 1.00 0.00 H new ATOM 0 HG22 THR A 92 10.854 30.512 -9.987 1.00 0.00 H new ATOM 0 HG23 THR A 92 10.650 29.444 -8.578 1.00 0.00 H new ATOM 1284 N GLY A 93 8.414 32.117 -10.935 1.00 0.00 N ATOM 1285 CA GLY A 93 8.765 33.459 -11.351 1.00 0.00 C ATOM 1286 C GLY A 93 8.146 33.724 -12.720 1.00 0.00 C ATOM 1287 O GLY A 93 7.462 34.731 -12.894 1.00 0.00 O ATOM 0 H GLY A 93 8.016 31.559 -11.691 1.00 0.00 H new ATOM 0 HA2 GLY A 93 8.402 34.187 -10.625 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.848 33.569 -11.398 1.00 0.00 H new ATOM 1291 N ALA A 94 8.397 32.796 -13.658 1.00 0.00 N ATOM 1292 CA ALA A 94 7.961 32.783 -15.049 1.00 0.00 C ATOM 1293 C ALA A 94 7.799 34.193 -15.631 1.00 0.00 C ATOM 1294 O ALA A 94 8.790 34.809 -16.019 1.00 0.00 O ATOM 1295 CB ALA A 94 6.720 31.893 -15.181 1.00 0.00 C ATOM 0 H ALA A 94 8.956 31.972 -13.437 1.00 0.00 H new ATOM 0 HA ALA A 94 8.742 32.342 -15.669 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.390 31.880 -16.220 1.00 0.00 H new ATOM 0 HB2 ALA A 94 6.964 30.879 -14.865 1.00 0.00 H new ATOM 0 HB3 ALA A 94 5.922 32.286 -14.552 1.00 0.00 H new ATOM 1301 N SER A 95 6.558 34.695 -15.681 1.00 0.00 N ATOM 1302 CA SER A 95 6.191 36.013 -16.177 1.00 0.00 C ATOM 1303 C SER A 95 4.822 36.353 -15.590 1.00 0.00 C ATOM 1304 O SER A 95 3.798 36.214 -16.259 1.00 0.00 O ATOM 1305 CB SER A 95 6.161 36.046 -17.712 1.00 0.00 C ATOM 1306 OG SER A 95 7.444 35.844 -18.263 1.00 0.00 O ATOM 0 H SER A 95 5.750 34.162 -15.360 1.00 0.00 H new ATOM 0 HA SER A 95 6.932 36.752 -15.870 1.00 0.00 H new ATOM 0 HB2 SER A 95 5.482 35.277 -18.079 1.00 0.00 H new ATOM 0 HB3 SER A 95 5.768 37.005 -18.048 1.00 0.00 H new ATOM 0 HG SER A 95 8.071 35.600 -17.551 1.00 0.00 H new ATOM 1312 N GLY A 96 4.812 36.789 -14.324 1.00 0.00 N ATOM 1313 CA GLY A 96 3.605 37.169 -13.608 1.00 0.00 C ATOM 1314 C GLY A 96 2.725 35.950 -13.332 1.00 0.00 C ATOM 1315 O GLY A 96 3.070 35.115 -12.496 1.00 0.00 O ATOM 0 H GLY A 96 5.660 36.886 -13.766 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.872 37.650 -12.667 1.00 0.00 H new ATOM 0 HA3 GLY A 96 3.046 37.900 -14.192 1.00 0.00 H new ATOM 1319 N ASN A 97 1.594 35.850 -14.044 1.00 0.00 N ATOM 1320 CA ASN A 97 0.637 34.760 -13.895 1.00 0.00 C ATOM 1321 C ASN A 97 1.064 33.484 -14.628 1.00 0.00 C ATOM 1322 O ASN A 97 0.392 32.463 -14.486 1.00 0.00 O ATOM 1323 CB ASN A 97 -0.746 35.217 -14.374 1.00 0.00 C ATOM 1324 CG ASN A 97 -1.314 36.320 -13.485 1.00 0.00 C ATOM 1325 OD1 ASN A 97 -1.805 36.044 -12.391 1.00 0.00 O ATOM 1326 ND2 ASN A 97 -1.257 37.571 -13.950 1.00 0.00 N ATOM 0 H ASN A 97 1.320 36.536 -14.747 1.00 0.00 H new ATOM 0 HA ASN A 97 0.598 34.507 -12.835 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -0.675 35.577 -15.400 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -1.428 34.367 -14.381 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -1.629 38.340 -13.392 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -0.841 37.757 -14.863 1.00 0.00 H new ATOM 1333 N ASN A 98 2.158 33.515 -15.405 1.00 0.00 N ATOM 1334 CA ASN A 98 2.639 32.342 -16.123 1.00 0.00 C ATOM 1335 C ASN A 98 3.084 31.258 -15.135 1.00 0.00 C ATOM 1336 O ASN A 98 3.355 31.540 -13.967 1.00 0.00 O ATOM 1337 CB ASN A 98 3.742 32.719 -17.118 1.00 0.00 C ATOM 1338 CG ASN A 98 3.229 33.551 -18.295 1.00 0.00 C ATOM 1339 OD1 ASN A 98 2.221 34.247 -18.192 1.00 0.00 O ATOM 1340 ND2 ASN A 98 3.930 33.477 -19.429 1.00 0.00 N ATOM 0 H ASN A 98 2.725 34.351 -15.548 1.00 0.00 H new ATOM 0 HA ASN A 98 1.820 31.928 -16.711 1.00 0.00 H new ATOM 0 HB2 ASN A 98 4.518 33.279 -16.596 1.00 0.00 H new ATOM 0 HB3 ASN A 98 4.206 31.809 -17.499 1.00 0.00 H new ATOM 0 HD21 ASN A 98 3.634 34.009 -20.247 1.00 0.00 H new ATOM 0 HD22 ASN A 98 4.762 32.888 -19.477 1.00 0.00 H new ATOM 1347 N PHE A 99 3.165 30.020 -15.631 1.00 0.00 N ATOM 1348 CA PHE A 99 3.520 28.828 -14.877 1.00 0.00 C ATOM 1349 C PHE A 99 4.746 28.094 -15.429 1.00 0.00 C ATOM 1350 O PHE A 99 5.220 28.359 -16.533 1.00 0.00 O ATOM 1351 CB PHE A 99 2.326 27.858 -15.021 1.00 0.00 C ATOM 1352 CG PHE A 99 1.281 27.932 -13.935 1.00 0.00 C ATOM 1353 CD1 PHE A 99 1.590 27.375 -12.689 1.00 0.00 C ATOM 1354 CD2 PHE A 99 0.021 28.524 -14.144 1.00 0.00 C ATOM 1355 CE1 PHE A 99 0.656 27.400 -11.643 1.00 0.00 C ATOM 1356 CE2 PHE A 99 -0.919 28.551 -13.097 1.00 0.00 C ATOM 1357 CZ PHE A 99 -0.599 27.990 -11.847 1.00 0.00 C ATOM 0 H PHE A 99 2.975 29.819 -16.613 1.00 0.00 H new ATOM 0 HA PHE A 99 3.748 29.130 -13.855 1.00 0.00 H new ATOM 0 HB2 PHE A 99 1.841 28.049 -15.978 1.00 0.00 H new ATOM 0 HB3 PHE A 99 2.713 26.840 -15.057 1.00 0.00 H new ATOM 0 HD1 PHE A 99 2.557 26.921 -12.531 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.223 28.955 -15.103 1.00 0.00 H new ATOM 0 HE1 PHE A 99 0.903 26.967 -10.685 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -1.887 29.003 -13.253 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.321 28.014 -11.044 1.00 0.00 H new ATOM 1367 N VAL A 100 5.233 27.160 -14.599 1.00 0.00 N ATOM 1368 CA VAL A 100 6.336 26.231 -14.811 1.00 0.00 C ATOM 1369 C VAL A 100 5.954 24.947 -14.065 1.00 0.00 C ATOM 1370 O VAL A 100 5.037 24.959 -13.246 1.00 0.00 O ATOM 1371 CB VAL A 100 7.717 26.762 -14.391 1.00 0.00 C ATOM 1372 CG1 VAL A 100 8.243 27.793 -15.390 1.00 0.00 C ATOM 1373 CG2 VAL A 100 7.747 27.320 -12.970 1.00 0.00 C ATOM 0 H VAL A 100 4.820 27.030 -13.676 1.00 0.00 H new ATOM 0 HA VAL A 100 6.463 26.060 -15.880 1.00 0.00 H new ATOM 0 HB VAL A 100 8.382 25.898 -14.396 1.00 0.00 H new ATOM 0 HG11 VAL A 100 9.221 28.149 -15.065 1.00 0.00 H new ATOM 0 HG12 VAL A 100 8.333 27.333 -16.374 1.00 0.00 H new ATOM 0 HG13 VAL A 100 7.551 28.633 -15.444 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.751 27.677 -12.740 1.00 0.00 H new ATOM 0 HG22 VAL A 100 7.041 28.146 -12.889 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.471 26.536 -12.265 1.00 0.00 H new ATOM 1383 N GLY A 101 6.660 23.845 -14.337 1.00 0.00 N ATOM 1384 CA GLY A 101 6.385 22.546 -13.732 1.00 0.00 C ATOM 1385 C GLY A 101 7.316 22.192 -12.573 1.00 0.00 C ATOM 1386 O GLY A 101 8.495 22.541 -12.602 1.00 0.00 O ATOM 0 H GLY A 101 7.444 23.834 -14.989 1.00 0.00 H new ATOM 0 HA2 GLY A 101 5.355 22.534 -13.375 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.466 21.775 -14.498 1.00 0.00 H new ATOM 1390 N CYS A 102 6.777 21.494 -11.559 1.00 0.00 N ATOM 1391 CA CYS A 102 7.524 21.042 -10.388 1.00 0.00 C ATOM 1392 C CYS A 102 8.009 19.607 -10.627 1.00 0.00 C ATOM 1393 O CYS A 102 7.519 18.938 -11.533 1.00 0.00 O ATOM 1394 CB CYS A 102 6.698 21.143 -9.098 1.00 0.00 C ATOM 1395 SG CYS A 102 5.789 22.693 -8.829 1.00 0.00 S ATOM 0 H CYS A 102 5.793 21.227 -11.536 1.00 0.00 H new ATOM 0 HA CYS A 102 8.383 21.699 -10.251 1.00 0.00 H new ATOM 0 HB2 CYS A 102 5.981 20.322 -9.088 1.00 0.00 H new ATOM 0 HB3 CYS A 102 7.368 20.991 -8.252 1.00 0.00 H new ATOM 1400 N SER A 103 8.958 19.152 -9.795 1.00 0.00 N ATOM 1401 CA SER A 103 9.645 17.855 -9.795 1.00 0.00 C ATOM 1402 C SER A 103 9.671 17.051 -11.102 1.00 0.00 C ATOM 1403 O SER A 103 9.456 15.838 -11.084 1.00 0.00 O ATOM 1404 CB SER A 103 9.149 16.997 -8.627 1.00 0.00 C ATOM 1405 OG SER A 103 7.767 16.752 -8.776 1.00 0.00 O ATOM 0 H SER A 103 9.295 19.741 -9.033 1.00 0.00 H new ATOM 0 HA SER A 103 10.694 18.126 -9.674 1.00 0.00 H new ATOM 0 HB2 SER A 103 9.695 16.054 -8.597 1.00 0.00 H new ATOM 0 HB3 SER A 103 9.339 17.506 -7.682 1.00 0.00 H new ATOM 0 HG SER A 103 7.397 16.438 -7.925 1.00 0.00 H new ATOM 1411 N GLY A 104 9.928 17.710 -12.237 1.00 0.00 N ATOM 1412 CA GLY A 104 10.010 17.061 -13.533 1.00 0.00 C ATOM 1413 C GLY A 104 8.673 16.417 -13.879 1.00 0.00 C ATOM 1414 O GLY A 104 8.599 15.207 -14.091 1.00 0.00 O ATOM 0 H GLY A 104 10.085 18.717 -12.273 1.00 0.00 H new ATOM 0 HA2 GLY A 104 10.281 17.790 -14.297 1.00 0.00 H new ATOM 0 HA3 GLY A 104 10.795 16.305 -13.521 1.00 0.00 H new ATOM 1418 N THR A 105 7.627 17.245 -13.938 1.00 0.00 N ATOM 1419 CA THR A 105 6.276 16.785 -14.244 1.00 0.00 C ATOM 1420 C THR A 105 6.108 16.564 -15.749 1.00 0.00 C ATOM 1421 O THR A 105 6.769 17.210 -16.562 1.00 0.00 O ATOM 1422 CB THR A 105 5.222 17.740 -13.669 1.00 0.00 C ATOM 1423 OG1 THR A 105 3.941 17.152 -13.748 1.00 0.00 O ATOM 1424 CG2 THR A 105 5.206 19.064 -14.424 1.00 0.00 C ATOM 0 H THR A 105 7.695 18.250 -13.775 1.00 0.00 H new ATOM 0 HA THR A 105 6.120 15.821 -13.759 1.00 0.00 H new ATOM 0 HB THR A 105 5.482 17.932 -12.628 1.00 0.00 H new ATOM 0 HG1 THR A 105 3.356 17.715 -14.296 1.00 0.00 H new ATOM 0 HG21 THR A 105 4.449 19.719 -13.993 1.00 0.00 H new ATOM 0 HG22 THR A 105 6.184 19.539 -14.346 1.00 0.00 H new ATOM 0 HG23 THR A 105 4.974 18.882 -15.473 1.00 0.00 H new ATOM 1432 N ASN A 106 5.216 15.634 -16.104 1.00 0.00 N ATOM 1433 CA ASN A 106 4.920 15.254 -17.478 1.00 0.00 C ATOM 1434 C ASN A 106 4.066 16.321 -18.164 1.00 0.00 C ATOM 1435 O ASN A 106 4.166 16.400 -19.408 1.00 0.00 O ATOM 1436 CB ASN A 106 4.209 13.893 -17.493 1.00 0.00 C ATOM 1437 CG ASN A 106 5.010 12.791 -16.798 1.00 0.00 C ATOM 1438 OD1 ASN A 106 6.236 12.844 -16.737 1.00 0.00 O ATOM 1439 ND2 ASN A 106 4.310 11.783 -16.268 1.00 0.00 N ATOM 1440 OXT ASN A 106 3.179 16.869 -17.476 1.00 0.00 O ATOM 0 H ASN A 106 4.667 15.113 -15.420 1.00 0.00 H new ATOM 0 HA ASN A 106 5.855 15.171 -18.032 1.00 0.00 H new ATOM 0 HB2 ASN A 106 3.239 13.991 -17.006 1.00 0.00 H new ATOM 0 HB3 ASN A 106 4.019 13.600 -18.526 1.00 0.00 H new ATOM 0 HD21 ASN A 106 4.793 11.021 -15.792 1.00 0.00 H new ATOM 0 HD22 ASN A 106 3.293 11.776 -16.340 1.00 0.00 H new