USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 679 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 91 THR OG1 : rot 180:sc= 0.0298 USER MOD Set 1.2: A 93 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 92 HIS : no HD1:sc= -4.19! C(o=-6.1!,f=-7.5!) USER MOD Set 2.2: A 98 ASN :FLIP amide:sc= -1.89! C(o=-9.9!,f=-6.1!) USER MOD Set 3.1: A 83 ASN :FLIP amide:sc= -5.61! C(o=-29!,f=-24!) USER MOD Set 3.2: A 84 ASN : amide:sc= -13.1! C(o=-24!,f=-26!) USER MOD Set 3.3: A 85 GLN :FLIP amide:sc= -5.3! C(o=-28!,f=-24!) USER MOD Set 4.1: A 24 TYR OH : rot -7:sc= -1.77! USER MOD Set 4.2: A 81 ASN :FLIP amide:sc= -30.3! C(o=-48!,f=-32!) USER MOD Set 5.1: A 35 SER OG : rot -142:sc= -1.01! USER MOD Set 5.2: A 68 TYR OH : rot -149:sc= -4.9! USER MOD Set 6.1: A 27 HIS : no HD1:sc= -8.52! C(o=-10!,f=-15!) USER MOD Set 6.2: A 57 TYR OH : rot -41:sc= -1.55! USER MOD Set 7.1: A 36 ASN : amide:sc= 0.98 K(o=1,f=-2.3!) USER MOD Set 7.2: A 38 TYR OH : rot 180:sc= 0.0507 USER MOD Set 8.1: A 6 CYS SG : rot -34:sc= -22.5! USER MOD Set 8.2: A 9 ASN :FLIP amide:sc= -22.9! C(o=-96!,f=-93!) USER MOD Set 8.3: A 11 TYR OH : rot 35:sc= -8.11! USER MOD Set 8.4: A 103 CYS SG : rot 176:sc= -39! USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot -79:sc= 0.276 USER MOD Single : A 8 SER OG : rot 64:sc= 1.19 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0.0707 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -15.9! C(o=-16!,f=-22!) USER MOD Single : A 25 LYS NZ :NH3+ 158:sc= -0.0204 (180deg=-0.199) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HE2:sc= -9.26! C(o=-9.3!,f=-13!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 55:sc= -3.48! USER MOD Single : A 43 ASN : amide:sc= -0.539 X(o=-0.54,f=-0.056) USER MOD Single : A 44 ASN : amide:sc= -0.699 X(o=-0.7,f=-0.2) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot -1:sc= 1.23 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 57:sc= 0.0211 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN :FLIP amide:sc= -6.77! C(o=-20!,f=-6.8!) USER MOD Single : A 104 THR OG1 : rot -78:sc= 0.273 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -9.341 -14.382 -5.659 1.00 0.00 N ATOM 2 CA ALA A 1 -8.523 -14.584 -6.842 1.00 0.00 C ATOM 3 C ALA A 1 -7.246 -13.749 -6.724 1.00 0.00 C ATOM 4 O ALA A 1 -7.085 -12.752 -7.427 1.00 0.00 O ATOM 5 CB ALA A 1 -9.336 -14.234 -8.091 1.00 0.00 C ATOM 0 H1 ALA A 1 -10.210 -14.949 -5.737 1.00 0.00 H new ATOM 0 H2 ALA A 1 -8.810 -14.677 -4.815 1.00 0.00 H new ATOM 0 H3 ALA A 1 -9.590 -13.376 -5.577 1.00 0.00 H new ATOM 0 HA ALA A 1 -8.226 -15.629 -6.929 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -8.722 -14.386 -8.979 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -10.216 -14.875 -8.144 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -9.650 -13.191 -8.040 1.00 0.00 H new ATOM 11 N CYS A 2 -6.372 -14.185 -5.829 1.00 0.00 N ATOM 12 CA CYS A 2 -5.116 -13.490 -5.609 1.00 0.00 C ATOM 13 C CYS A 2 -4.645 -12.915 -6.947 1.00 0.00 C ATOM 14 O CYS A 2 -4.551 -13.636 -7.938 1.00 0.00 O ATOM 15 CB CYS A 2 -4.064 -14.407 -4.981 1.00 0.00 C ATOM 16 SG CYS A 2 -4.558 -16.164 -4.850 1.00 0.00 S ATOM 0 H CYS A 2 -6.509 -15.012 -5.247 1.00 0.00 H new ATOM 0 HA CYS A 2 -5.267 -12.678 -4.897 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -3.149 -14.344 -5.570 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -3.827 -14.035 -3.984 1.00 0.00 H new ATOM 21 N ASP A 3 -4.361 -11.621 -6.930 1.00 0.00 N ATOM 22 CA ASP A 3 -3.902 -10.940 -8.129 1.00 0.00 C ATOM 23 C ASP A 3 -2.613 -10.179 -7.817 1.00 0.00 C ATOM 24 O ASP A 3 -1.973 -9.637 -8.717 1.00 0.00 O ATOM 25 CB ASP A 3 -4.940 -9.930 -8.621 1.00 0.00 C ATOM 26 CG ASP A 3 -5.889 -10.451 -9.703 1.00 0.00 C ATOM 27 OD1 ASP A 3 -6.925 -11.033 -9.317 1.00 0.00 O ATOM 28 OD2 ASP A 3 -5.555 -10.257 -10.892 1.00 0.00 O ATOM 0 H ASP A 3 -4.440 -11.026 -6.105 1.00 0.00 H new ATOM 0 HA ASP A 3 -3.737 -11.692 -8.901 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -5.533 -9.597 -7.769 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -4.418 -9.055 -9.008 1.00 0.00 H new ATOM 33 N TYR A 4 -2.268 -10.162 -6.537 1.00 0.00 N ATOM 34 CA TYR A 4 -1.067 -9.475 -6.094 1.00 0.00 C ATOM 35 C TYR A 4 -0.271 -10.340 -5.115 1.00 0.00 C ATOM 36 O TYR A 4 -0.453 -10.240 -3.902 1.00 0.00 O ATOM 37 CB TYR A 4 -1.544 -8.214 -5.370 1.00 0.00 C ATOM 38 CG TYR A 4 -2.261 -7.211 -6.275 1.00 0.00 C ATOM 39 CD1 TYR A 4 -1.545 -6.483 -7.204 1.00 0.00 C ATOM 40 CD2 TYR A 4 -3.625 -7.033 -6.165 1.00 0.00 C ATOM 41 CE1 TYR A 4 -2.219 -5.539 -8.055 1.00 0.00 C ATOM 42 CE2 TYR A 4 -4.301 -6.089 -7.016 1.00 0.00 C ATOM 43 CZ TYR A 4 -3.564 -5.388 -7.920 1.00 0.00 C ATOM 44 OH TYR A 4 -4.202 -4.496 -8.725 1.00 0.00 O ATOM 0 H TYR A 4 -2.800 -10.613 -5.793 1.00 0.00 H new ATOM 0 HA TYR A 4 -0.419 -9.250 -6.941 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -2.216 -8.504 -4.562 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -0.685 -7.724 -4.911 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -0.478 -6.622 -7.292 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -4.186 -7.603 -5.439 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -1.669 -4.963 -8.785 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -5.368 -5.941 -6.939 1.00 0.00 H new ATOM 0 HH TYR A 4 -5.160 -4.495 -8.518 1.00 0.00 H new ATOM 54 N THR A 5 0.595 -11.170 -5.678 1.00 0.00 N ATOM 55 CA THR A 5 1.420 -12.052 -4.870 1.00 0.00 C ATOM 56 C THR A 5 2.805 -11.438 -4.655 1.00 0.00 C ATOM 57 O THR A 5 3.640 -11.449 -5.558 1.00 0.00 O ATOM 58 CB THR A 5 1.462 -13.420 -5.554 1.00 0.00 C ATOM 59 OG1 THR A 5 0.146 -13.936 -5.378 1.00 0.00 O ATOM 60 CG2 THR A 5 2.355 -14.417 -4.816 1.00 0.00 C ATOM 0 H THR A 5 0.743 -11.250 -6.684 1.00 0.00 H new ATOM 0 HA THR A 5 0.999 -12.184 -3.873 1.00 0.00 H new ATOM 0 HB THR A 5 1.819 -13.303 -6.577 1.00 0.00 H new ATOM 0 HG1 THR A 5 0.056 -14.300 -4.472 1.00 0.00 H new ATOM 0 HG21 THR A 5 2.349 -15.371 -5.344 1.00 0.00 H new ATOM 0 HG22 THR A 5 3.374 -14.032 -4.775 1.00 0.00 H new ATOM 0 HG23 THR A 5 1.980 -14.561 -3.803 1.00 0.00 H new ATOM 68 N CYS A 6 3.006 -10.917 -3.453 1.00 0.00 N ATOM 69 CA CYS A 6 4.276 -10.300 -3.107 1.00 0.00 C ATOM 70 C CYS A 6 5.258 -11.407 -2.723 1.00 0.00 C ATOM 71 O CYS A 6 5.700 -11.479 -1.577 1.00 0.00 O ATOM 72 CB CYS A 6 4.116 -9.265 -1.993 1.00 0.00 C ATOM 73 SG CYS A 6 3.555 -7.615 -2.551 1.00 0.00 S ATOM 0 H CYS A 6 2.311 -10.909 -2.707 1.00 0.00 H new ATOM 0 HA CYS A 6 4.665 -9.754 -3.966 1.00 0.00 H new ATOM 0 HB2 CYS A 6 3.404 -9.647 -1.261 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.071 -9.154 -1.480 1.00 0.00 H new ATOM 0 HG CYS A 6 4.055 -7.360 -3.724 1.00 0.00 H new ATOM 78 N GLY A 7 5.574 -12.242 -3.702 1.00 0.00 N ATOM 79 CA GLY A 7 6.497 -13.342 -3.481 1.00 0.00 C ATOM 80 C GLY A 7 5.861 -14.423 -2.604 1.00 0.00 C ATOM 81 O GLY A 7 5.813 -15.590 -2.989 1.00 0.00 O ATOM 0 H GLY A 7 5.207 -12.179 -4.651 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.792 -13.772 -4.438 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.405 -12.970 -3.005 1.00 0.00 H new ATOM 85 N SER A 8 5.390 -13.996 -1.442 1.00 0.00 N ATOM 86 CA SER A 8 4.760 -14.912 -0.507 1.00 0.00 C ATOM 87 C SER A 8 3.432 -14.330 -0.017 1.00 0.00 C ATOM 88 O SER A 8 3.210 -14.211 1.187 1.00 0.00 O ATOM 89 CB SER A 8 5.680 -15.209 0.679 1.00 0.00 C ATOM 90 OG SER A 8 5.588 -14.208 1.689 1.00 0.00 O ATOM 0 H SER A 8 5.432 -13.027 -1.126 1.00 0.00 H new ATOM 0 HA SER A 8 4.568 -15.851 -1.026 1.00 0.00 H new ATOM 0 HB2 SER A 8 5.421 -16.179 1.105 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.710 -15.279 0.330 1.00 0.00 H new ATOM 0 HG SER A 8 4.683 -14.205 2.066 1.00 0.00 H new ATOM 96 N ASN A 9 2.586 -13.982 -0.975 1.00 0.00 N ATOM 97 CA ASN A 9 1.287 -13.414 -0.656 1.00 0.00 C ATOM 98 C ASN A 9 0.247 -13.947 -1.643 1.00 0.00 C ATOM 99 O ASN A 9 0.554 -14.796 -2.478 1.00 0.00 O ATOM 100 CB ASN A 9 1.310 -11.889 -0.769 1.00 0.00 C ATOM 101 CG ASN A 9 2.449 -11.294 0.060 1.00 0.00 C ATOM 102 OD1 ASN A 9 3.662 -11.632 -0.367 1.00 0.00 O flip ATOM 103 ND2 ASN A 9 2.242 -10.575 1.023 1.00 0.00 N flip ATOM 0 H ASN A 9 2.774 -14.082 -1.972 1.00 0.00 H new ATOM 0 HA ASN A 9 1.037 -13.695 0.367 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.427 -11.600 -1.814 1.00 0.00 H new ATOM 0 HB3 ASN A 9 0.358 -11.481 -0.430 1.00 0.00 H new ATOM 0 HD21 ASN A 9 1.285 -10.354 1.298 1.00 0.00 H new ATOM 0 HD22 ASN A 9 3.026 -10.194 1.553 1.00 0.00 H new ATOM 110 N CYS A 10 -0.965 -13.425 -1.516 1.00 0.00 N ATOM 111 CA CYS A 10 -2.053 -13.838 -2.386 1.00 0.00 C ATOM 112 C CYS A 10 -3.291 -13.011 -2.031 1.00 0.00 C ATOM 113 O CYS A 10 -4.319 -13.563 -1.640 1.00 0.00 O ATOM 114 CB CYS A 10 -2.321 -15.341 -2.283 1.00 0.00 C ATOM 115 SG CYS A 10 -2.654 -16.171 -3.879 1.00 0.00 S ATOM 0 H CYS A 10 -1.217 -12.720 -0.824 1.00 0.00 H new ATOM 0 HA CYS A 10 -1.781 -13.655 -3.426 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.461 -15.818 -1.814 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -3.173 -15.500 -1.622 1.00 0.00 H new ATOM 120 N TYR A 11 -3.152 -11.703 -2.181 1.00 0.00 N ATOM 121 CA TYR A 11 -4.247 -10.795 -1.882 1.00 0.00 C ATOM 122 C TYR A 11 -4.502 -9.840 -3.049 1.00 0.00 C ATOM 123 O TYR A 11 -3.830 -8.818 -3.179 1.00 0.00 O ATOM 124 CB TYR A 11 -3.800 -9.984 -0.664 1.00 0.00 C ATOM 125 CG TYR A 11 -2.296 -9.709 -0.616 1.00 0.00 C ATOM 126 CD1 TYR A 11 -1.619 -9.374 -1.770 1.00 0.00 C ATOM 127 CD2 TYR A 11 -1.617 -9.796 0.582 1.00 0.00 C ATOM 128 CE1 TYR A 11 -0.203 -9.117 -1.726 1.00 0.00 C ATOM 129 CE2 TYR A 11 -0.200 -9.537 0.628 1.00 0.00 C ATOM 130 CZ TYR A 11 0.436 -9.210 -0.529 1.00 0.00 C ATOM 131 OH TYR A 11 1.774 -8.967 -0.486 1.00 0.00 O ATOM 0 H TYR A 11 -2.298 -11.249 -2.506 1.00 0.00 H new ATOM 0 HA TYR A 11 -5.168 -11.350 -1.701 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -4.333 -9.033 -0.658 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -4.090 -10.518 0.241 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -2.151 -9.304 -2.707 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -2.148 -10.058 1.485 1.00 0.00 H new ATOM 0 HE1 TYR A 11 0.339 -8.856 -2.623 1.00 0.00 H new ATOM 0 HE2 TYR A 11 0.344 -9.601 1.559 1.00 0.00 H new ATOM 0 HH TYR A 11 2.001 -8.269 -1.135 1.00 0.00 H new ATOM 141 N SER A 12 -5.475 -10.208 -3.871 1.00 0.00 N ATOM 142 CA SER A 12 -5.827 -9.398 -5.024 1.00 0.00 C ATOM 143 C SER A 12 -6.315 -8.021 -4.566 1.00 0.00 C ATOM 144 O SER A 12 -6.399 -7.755 -3.369 1.00 0.00 O ATOM 145 CB SER A 12 -6.898 -10.084 -5.874 1.00 0.00 C ATOM 146 OG SER A 12 -7.992 -10.543 -5.086 1.00 0.00 O ATOM 0 H SER A 12 -6.030 -11.057 -3.761 1.00 0.00 H new ATOM 0 HA SER A 12 -4.936 -9.276 -5.640 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.262 -9.388 -6.629 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.455 -10.927 -6.405 1.00 0.00 H new ATOM 0 HG SER A 12 -8.655 -10.974 -5.666 1.00 0.00 H new ATOM 152 N SER A 13 -6.624 -7.183 -5.545 1.00 0.00 N ATOM 153 CA SER A 13 -7.101 -5.841 -5.257 1.00 0.00 C ATOM 154 C SER A 13 -8.256 -5.899 -4.255 1.00 0.00 C ATOM 155 O SER A 13 -8.596 -4.893 -3.635 1.00 0.00 O ATOM 156 CB SER A 13 -7.545 -5.128 -6.537 1.00 0.00 C ATOM 157 OG SER A 13 -7.793 -6.045 -7.600 1.00 0.00 O ATOM 0 H SER A 13 -6.553 -7.407 -6.538 1.00 0.00 H new ATOM 0 HA SER A 13 -6.279 -5.272 -4.822 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.449 -4.552 -6.337 1.00 0.00 H new ATOM 0 HB3 SER A 13 -6.776 -4.418 -6.842 1.00 0.00 H new ATOM 0 HG SER A 13 -8.075 -5.552 -8.398 1.00 0.00 H new ATOM 163 N SER A 14 -8.827 -7.087 -4.127 1.00 0.00 N ATOM 164 CA SER A 14 -9.935 -7.291 -3.211 1.00 0.00 C ATOM 165 C SER A 14 -9.408 -7.501 -1.790 1.00 0.00 C ATOM 166 O SER A 14 -10.078 -7.156 -0.818 1.00 0.00 O ATOM 167 CB SER A 14 -10.794 -8.482 -3.640 1.00 0.00 C ATOM 168 OG SER A 14 -11.924 -8.659 -2.790 1.00 0.00 O ATOM 0 H SER A 14 -8.542 -7.919 -4.643 1.00 0.00 H new ATOM 0 HA SER A 14 -10.563 -6.400 -3.231 1.00 0.00 H new ATOM 0 HB2 SER A 14 -11.132 -8.335 -4.666 1.00 0.00 H new ATOM 0 HB3 SER A 14 -10.188 -9.388 -3.631 1.00 0.00 H new ATOM 0 HG SER A 14 -12.448 -9.428 -3.098 1.00 0.00 H new ATOM 174 N ASP A 15 -8.212 -8.065 -1.714 1.00 0.00 N ATOM 175 CA ASP A 15 -7.587 -8.326 -0.428 1.00 0.00 C ATOM 176 C ASP A 15 -6.872 -7.062 0.051 1.00 0.00 C ATOM 177 O ASP A 15 -6.913 -6.732 1.235 1.00 0.00 O ATOM 178 CB ASP A 15 -6.548 -9.444 -0.537 1.00 0.00 C ATOM 179 CG ASP A 15 -7.075 -10.848 -0.237 1.00 0.00 C ATOM 180 OD1 ASP A 15 -8.030 -11.256 -0.935 1.00 0.00 O ATOM 181 OD2 ASP A 15 -6.514 -11.481 0.683 1.00 0.00 O ATOM 0 H ASP A 15 -7.659 -8.349 -2.522 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.367 -8.626 0.272 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.132 -9.436 -1.545 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.729 -9.226 0.148 1.00 0.00 H new ATOM 186 N VAL A 16 -6.232 -6.387 -0.893 1.00 0.00 N ATOM 187 CA VAL A 16 -5.509 -5.166 -0.582 1.00 0.00 C ATOM 188 C VAL A 16 -6.472 -4.152 0.038 1.00 0.00 C ATOM 189 O VAL A 16 -6.157 -3.530 1.052 1.00 0.00 O ATOM 190 CB VAL A 16 -4.810 -4.638 -1.835 1.00 0.00 C ATOM 191 CG1 VAL A 16 -4.101 -3.312 -1.550 1.00 0.00 C ATOM 192 CG2 VAL A 16 -3.833 -5.672 -2.396 1.00 0.00 C ATOM 0 H VAL A 16 -6.199 -6.663 -1.874 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.727 -5.362 0.151 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.573 -4.454 -2.591 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.612 -2.958 -2.458 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -4.831 -2.573 -1.220 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.355 -3.459 -0.769 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.350 -5.270 -3.287 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.077 -5.903 -1.646 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.375 -6.581 -2.656 1.00 0.00 H new ATOM 202 N SER A 17 -7.627 -4.017 -0.596 1.00 0.00 N ATOM 203 CA SER A 17 -8.639 -3.088 -0.121 1.00 0.00 C ATOM 204 C SER A 17 -8.644 -3.059 1.410 1.00 0.00 C ATOM 205 O SER A 17 -8.585 -1.990 2.014 1.00 0.00 O ATOM 206 CB SER A 17 -10.024 -3.464 -0.649 1.00 0.00 C ATOM 207 OG SER A 17 -11.022 -2.532 -0.243 1.00 0.00 O ATOM 0 H SER A 17 -7.885 -4.536 -1.435 1.00 0.00 H new ATOM 0 HA SER A 17 -8.395 -2.094 -0.497 1.00 0.00 H new ATOM 0 HB2 SER A 17 -9.996 -3.513 -1.738 1.00 0.00 H new ATOM 0 HB3 SER A 17 -10.290 -4.459 -0.292 1.00 0.00 H new ATOM 0 HG SER A 17 -11.892 -2.807 -0.602 1.00 0.00 H new ATOM 213 N THR A 18 -8.715 -4.248 1.991 1.00 0.00 N ATOM 214 CA THR A 18 -8.728 -4.373 3.439 1.00 0.00 C ATOM 215 C THR A 18 -7.584 -3.566 4.054 1.00 0.00 C ATOM 216 O THR A 18 -7.803 -2.758 4.956 1.00 0.00 O ATOM 217 CB THR A 18 -8.678 -5.862 3.786 1.00 0.00 C ATOM 218 OG1 THR A 18 -10.047 -6.248 3.860 1.00 0.00 O ATOM 219 CG2 THR A 18 -8.142 -6.117 5.196 1.00 0.00 C ATOM 0 H THR A 18 -8.764 -5.133 1.486 1.00 0.00 H new ATOM 0 HA THR A 18 -9.642 -3.957 3.864 1.00 0.00 H new ATOM 0 HB THR A 18 -8.053 -6.382 3.060 1.00 0.00 H new ATOM 0 HG1 THR A 18 -10.107 -7.201 4.079 1.00 0.00 H new ATOM 0 HG21 THR A 18 -8.127 -7.189 5.391 1.00 0.00 H new ATOM 0 HG22 THR A 18 -7.130 -5.719 5.278 1.00 0.00 H new ATOM 0 HG23 THR A 18 -8.786 -5.624 5.925 1.00 0.00 H new ATOM 227 N ALA A 19 -6.387 -3.814 3.543 1.00 0.00 N ATOM 228 CA ALA A 19 -5.206 -3.120 4.032 1.00 0.00 C ATOM 229 C ALA A 19 -5.387 -1.614 3.834 1.00 0.00 C ATOM 230 O ALA A 19 -5.049 -0.824 4.714 1.00 0.00 O ATOM 231 CB ALA A 19 -3.966 -3.658 3.316 1.00 0.00 C ATOM 0 H ALA A 19 -6.209 -4.485 2.796 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.069 -3.298 5.099 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.080 -3.138 3.682 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.867 -4.726 3.512 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.066 -3.494 2.243 1.00 0.00 H new ATOM 237 N GLN A 20 -5.921 -1.261 2.674 1.00 0.00 N ATOM 238 CA GLN A 20 -6.149 0.136 2.350 1.00 0.00 C ATOM 239 C GLN A 20 -7.097 0.770 3.372 1.00 0.00 C ATOM 240 O GLN A 20 -6.765 1.782 3.987 1.00 0.00 O ATOM 241 CB GLN A 20 -6.696 0.287 0.929 1.00 0.00 C ATOM 242 CG GLN A 20 -5.922 -0.595 -0.053 1.00 0.00 C ATOM 243 CD GLN A 20 -6.719 -0.812 -1.340 1.00 0.00 C ATOM 244 OE1 GLN A 20 -6.877 -1.921 -1.825 1.00 0.00 O ATOM 245 NE2 GLN A 20 -7.212 0.306 -1.867 1.00 0.00 N ATOM 0 H GLN A 20 -6.202 -1.919 1.947 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.194 0.660 2.395 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -7.752 0.017 0.911 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -6.628 1.330 0.618 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -4.964 -0.130 -0.288 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -5.704 -1.557 0.411 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -7.043 1.203 -1.411 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -7.759 0.266 -2.727 1.00 0.00 H new ATOM 254 N ALA A 21 -8.257 0.148 3.521 1.00 0.00 N ATOM 255 CA ALA A 21 -9.254 0.637 4.458 1.00 0.00 C ATOM 256 C ALA A 21 -8.563 1.062 5.755 1.00 0.00 C ATOM 257 O ALA A 21 -8.915 2.083 6.344 1.00 0.00 O ATOM 258 CB ALA A 21 -10.313 -0.443 4.687 1.00 0.00 C ATOM 0 H ALA A 21 -8.529 -0.691 3.008 1.00 0.00 H new ATOM 0 HA ALA A 21 -9.764 1.512 4.055 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.061 -0.076 5.390 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.794 -0.687 3.740 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.840 -1.336 5.094 1.00 0.00 H new ATOM 264 N ALA A 22 -7.592 0.258 6.162 1.00 0.00 N ATOM 265 CA ALA A 22 -6.849 0.537 7.378 1.00 0.00 C ATOM 266 C ALA A 22 -6.129 1.879 7.234 1.00 0.00 C ATOM 267 O ALA A 22 -6.402 2.818 7.980 1.00 0.00 O ATOM 268 CB ALA A 22 -5.883 -0.615 7.664 1.00 0.00 C ATOM 0 H ALA A 22 -7.303 -0.588 5.670 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.524 0.614 8.230 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.326 -0.405 8.577 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.446 -1.540 7.788 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.188 -0.722 6.831 1.00 0.00 H new ATOM 274 N GLY A 23 -5.223 1.928 6.269 1.00 0.00 N ATOM 275 CA GLY A 23 -4.461 3.139 6.018 1.00 0.00 C ATOM 276 C GLY A 23 -5.388 4.311 5.691 1.00 0.00 C ATOM 277 O GLY A 23 -5.170 5.428 6.159 1.00 0.00 O ATOM 0 H GLY A 23 -4.999 1.148 5.651 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.857 3.381 6.893 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.771 2.974 5.190 1.00 0.00 H new ATOM 281 N TYR A 24 -6.402 4.018 4.890 1.00 0.00 N ATOM 282 CA TYR A 24 -7.363 5.033 4.497 1.00 0.00 C ATOM 283 C TYR A 24 -7.975 5.714 5.722 1.00 0.00 C ATOM 284 O TYR A 24 -7.840 6.923 5.898 1.00 0.00 O ATOM 285 CB TYR A 24 -8.465 4.297 3.731 1.00 0.00 C ATOM 286 CG TYR A 24 -8.302 4.340 2.211 1.00 0.00 C ATOM 287 CD1 TYR A 24 -8.102 5.547 1.572 1.00 0.00 C ATOM 288 CD2 TYR A 24 -8.354 3.172 1.479 1.00 0.00 C ATOM 289 CE1 TYR A 24 -7.949 5.587 0.140 1.00 0.00 C ATOM 290 CE2 TYR A 24 -8.201 3.211 0.047 1.00 0.00 C ATOM 291 CZ TYR A 24 -8.006 4.418 -0.552 1.00 0.00 C ATOM 292 OH TYR A 24 -7.862 4.455 -1.903 1.00 0.00 O ATOM 0 H TYR A 24 -6.578 3.091 4.503 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.881 5.805 3.897 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -8.485 3.256 4.055 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -9.429 4.732 3.995 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -8.060 6.461 2.145 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -8.509 2.228 1.980 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -7.793 6.525 -0.372 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -8.240 2.304 -0.538 1.00 0.00 H new ATOM 0 HH TYR A 24 -7.848 5.387 -2.205 1.00 0.00 H new ATOM 302 N LYS A 25 -8.637 4.905 6.538 1.00 0.00 N ATOM 303 CA LYS A 25 -9.272 5.414 7.742 1.00 0.00 C ATOM 304 C LYS A 25 -8.325 6.397 8.435 1.00 0.00 C ATOM 305 O LYS A 25 -8.722 7.509 8.779 1.00 0.00 O ATOM 306 CB LYS A 25 -9.723 4.259 8.639 1.00 0.00 C ATOM 307 CG LYS A 25 -9.525 4.602 10.116 1.00 0.00 C ATOM 308 CD LYS A 25 -8.082 4.337 10.551 1.00 0.00 C ATOM 309 CE LYS A 25 -8.038 3.431 11.783 1.00 0.00 C ATOM 310 NZ LYS A 25 -8.552 2.082 11.453 1.00 0.00 N ATOM 0 H LYS A 25 -8.747 3.902 6.389 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.178 5.965 7.491 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.774 4.037 8.451 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.158 3.360 8.392 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.774 5.650 10.286 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.207 4.009 10.725 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -7.532 3.872 9.733 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.586 5.282 10.772 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -7.015 3.357 12.151 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -8.634 3.868 12.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -8.187 1.393 12.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -9.591 2.089 11.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -8.239 1.815 10.498 1.00 0.00 H new ATOM 324 N LEU A 26 -7.092 5.950 8.622 1.00 0.00 N ATOM 325 CA LEU A 26 -6.086 6.776 9.269 1.00 0.00 C ATOM 326 C LEU A 26 -5.788 7.992 8.389 1.00 0.00 C ATOM 327 O LEU A 26 -5.512 9.078 8.896 1.00 0.00 O ATOM 328 CB LEU A 26 -4.848 5.945 9.608 1.00 0.00 C ATOM 329 CG LEU A 26 -3.678 6.708 10.233 1.00 0.00 C ATOM 330 CD1 LEU A 26 -3.865 6.854 11.745 1.00 0.00 C ATOM 331 CD2 LEU A 26 -2.343 6.049 9.882 1.00 0.00 C ATOM 0 H LEU A 26 -6.766 5.026 8.337 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.458 7.154 10.221 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.145 5.150 10.293 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.496 5.465 8.695 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.661 7.713 9.811 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.020 7.400 12.165 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.786 7.400 11.947 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.922 5.866 12.202 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.528 6.611 10.339 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.333 5.026 10.257 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.215 6.040 8.800 1.00 0.00 H new ATOM 343 N HIS A 27 -5.854 7.768 7.084 1.00 0.00 N ATOM 344 CA HIS A 27 -5.595 8.833 6.128 1.00 0.00 C ATOM 345 C HIS A 27 -6.684 9.902 6.244 1.00 0.00 C ATOM 346 O HIS A 27 -6.382 11.088 6.369 1.00 0.00 O ATOM 347 CB HIS A 27 -5.464 8.270 4.712 1.00 0.00 C ATOM 348 CG HIS A 27 -5.429 9.327 3.634 1.00 0.00 C ATOM 349 ND1 HIS A 27 -4.445 10.297 3.568 1.00 0.00 N ATOM 350 CD2 HIS A 27 -6.264 9.553 2.579 1.00 0.00 C ATOM 351 CE1 HIS A 27 -4.687 11.068 2.517 1.00 0.00 C ATOM 352 NE2 HIS A 27 -5.816 10.606 1.907 1.00 0.00 N ATOM 0 H HIS A 27 -6.083 6.866 6.666 1.00 0.00 H new ATOM 0 HA HIS A 27 -4.642 9.310 6.357 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.554 7.673 4.652 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.300 7.597 4.520 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -7.141 8.973 2.332 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -4.094 11.913 2.200 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -6.245 11.004 1.072 1.00 0.00 H new ATOM 361 N GLU A 28 -7.926 9.444 6.199 1.00 0.00 N ATOM 362 CA GLU A 28 -9.060 10.347 6.297 1.00 0.00 C ATOM 363 C GLU A 28 -8.960 11.189 7.570 1.00 0.00 C ATOM 364 O GLU A 28 -9.510 12.287 7.637 1.00 0.00 O ATOM 365 CB GLU A 28 -10.380 9.575 6.253 1.00 0.00 C ATOM 366 CG GLU A 28 -10.135 8.081 6.035 1.00 0.00 C ATOM 367 CD GLU A 28 -11.457 7.316 5.944 1.00 0.00 C ATOM 368 OE1 GLU A 28 -12.291 7.514 6.853 1.00 0.00 O ATOM 369 OE2 GLU A 28 -11.603 6.549 4.968 1.00 0.00 O ATOM 0 H GLU A 28 -8.172 8.460 6.096 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.040 11.018 5.439 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -10.925 9.726 7.185 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.007 9.965 5.451 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.561 7.933 5.120 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.536 7.684 6.855 1.00 0.00 H new ATOM 376 N ASP A 29 -8.253 10.643 8.548 1.00 0.00 N ATOM 377 CA ASP A 29 -8.073 11.331 9.815 1.00 0.00 C ATOM 378 C ASP A 29 -6.779 12.146 9.770 1.00 0.00 C ATOM 379 O ASP A 29 -6.614 13.099 10.530 1.00 0.00 O ATOM 380 CB ASP A 29 -7.964 10.335 10.972 1.00 0.00 C ATOM 381 CG ASP A 29 -9.289 9.717 11.421 1.00 0.00 C ATOM 382 OD1 ASP A 29 -10.296 10.458 11.401 1.00 0.00 O ATOM 383 OD2 ASP A 29 -9.265 8.518 11.772 1.00 0.00 O ATOM 0 H ASP A 29 -7.798 9.732 8.489 1.00 0.00 H new ATOM 0 HA ASP A 29 -8.937 11.976 9.974 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.287 9.533 10.678 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.509 10.840 11.824 1.00 0.00 H new ATOM 388 N GLY A 30 -5.894 11.742 8.870 1.00 0.00 N ATOM 389 CA GLY A 30 -4.620 12.423 8.714 1.00 0.00 C ATOM 390 C GLY A 30 -3.658 12.049 9.843 1.00 0.00 C ATOM 391 O GLY A 30 -2.806 12.848 10.228 1.00 0.00 O ATOM 0 H GLY A 30 -6.034 10.951 8.241 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.178 12.160 7.753 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.778 13.501 8.708 1.00 0.00 H new ATOM 395 N GLU A 31 -3.824 10.832 10.341 1.00 0.00 N ATOM 396 CA GLU A 31 -2.981 10.342 11.418 1.00 0.00 C ATOM 397 C GLU A 31 -2.030 9.263 10.897 1.00 0.00 C ATOM 398 O GLU A 31 -2.036 8.945 9.709 1.00 0.00 O ATOM 399 CB GLU A 31 -3.825 9.815 12.579 1.00 0.00 C ATOM 400 CG GLU A 31 -4.478 10.964 13.350 1.00 0.00 C ATOM 401 CD GLU A 31 -3.444 11.717 14.191 1.00 0.00 C ATOM 402 OE1 GLU A 31 -2.699 11.030 14.921 1.00 0.00 O ATOM 403 OE2 GLU A 31 -3.424 12.962 14.084 1.00 0.00 O ATOM 0 H GLU A 31 -4.530 10.171 10.018 1.00 0.00 H new ATOM 0 HA GLU A 31 -2.385 11.174 11.794 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.595 9.144 12.198 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.198 9.231 13.253 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.954 11.652 12.651 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.263 10.573 13.997 1.00 0.00 H new ATOM 410 N THR A 32 -1.233 8.730 11.813 1.00 0.00 N ATOM 411 CA THR A 32 -0.278 7.693 11.460 1.00 0.00 C ATOM 412 C THR A 32 -0.549 6.422 12.267 1.00 0.00 C ATOM 413 O THR A 32 -1.495 6.370 13.052 1.00 0.00 O ATOM 414 CB THR A 32 1.129 8.256 11.669 1.00 0.00 C ATOM 415 OG1 THR A 32 1.262 8.343 13.085 1.00 0.00 O ATOM 416 CG2 THR A 32 1.256 9.705 11.193 1.00 0.00 C ATOM 0 H THR A 32 -1.229 8.997 12.797 1.00 0.00 H new ATOM 0 HA THR A 32 -0.377 7.404 10.414 1.00 0.00 H new ATOM 0 HB THR A 32 1.851 7.635 11.139 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.148 8.698 13.309 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.274 10.056 11.364 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.027 9.760 10.129 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.558 10.332 11.747 1.00 0.00 H new ATOM 424 N VAL A 33 0.297 5.427 12.046 1.00 0.00 N ATOM 425 CA VAL A 33 0.160 4.159 12.743 1.00 0.00 C ATOM 426 C VAL A 33 1.459 3.850 13.490 1.00 0.00 C ATOM 427 O VAL A 33 2.515 3.708 12.875 1.00 0.00 O ATOM 428 CB VAL A 33 -0.237 3.060 11.756 1.00 0.00 C ATOM 429 CG1 VAL A 33 -1.619 3.333 11.158 1.00 0.00 C ATOM 430 CG2 VAL A 33 0.815 2.904 10.656 1.00 0.00 C ATOM 0 H VAL A 33 1.080 5.473 11.394 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.637 4.215 13.485 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.289 2.120 12.305 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.877 2.537 10.460 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.360 3.370 11.956 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.606 4.287 10.631 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.508 2.116 9.968 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.914 3.843 10.112 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.773 2.641 11.104 1.00 0.00 H new ATOM 440 N GLY A 34 1.338 3.756 14.806 1.00 0.00 N ATOM 441 CA GLY A 34 2.490 3.467 15.644 1.00 0.00 C ATOM 442 C GLY A 34 3.741 3.234 14.795 1.00 0.00 C ATOM 443 O GLY A 34 4.318 2.148 14.817 1.00 0.00 O ATOM 0 H GLY A 34 0.461 3.875 15.313 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.662 4.296 16.331 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.290 2.585 16.252 1.00 0.00 H new ATOM 447 N SER A 35 4.125 4.272 14.068 1.00 0.00 N ATOM 448 CA SER A 35 5.298 4.195 13.213 1.00 0.00 C ATOM 449 C SER A 35 5.458 5.496 12.424 1.00 0.00 C ATOM 450 O SER A 35 5.094 6.567 12.907 1.00 0.00 O ATOM 451 CB SER A 35 5.205 3.003 12.257 1.00 0.00 C ATOM 452 OG SER A 35 4.207 3.195 11.259 1.00 0.00 O ATOM 0 H SER A 35 3.645 5.172 14.053 1.00 0.00 H new ATOM 0 HA SER A 35 6.174 4.052 13.846 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.171 2.847 11.778 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.981 2.100 12.825 1.00 0.00 H new ATOM 0 HG SER A 35 3.755 2.344 11.080 1.00 0.00 H new ATOM 458 N ASN A 36 6.001 5.360 11.223 1.00 0.00 N ATOM 459 CA ASN A 36 6.213 6.511 10.363 1.00 0.00 C ATOM 460 C ASN A 36 4.904 7.293 10.233 1.00 0.00 C ATOM 461 O ASN A 36 3.981 7.101 11.022 1.00 0.00 O ATOM 462 CB ASN A 36 6.646 6.079 8.961 1.00 0.00 C ATOM 463 CG ASN A 36 8.169 5.971 8.866 1.00 0.00 C ATOM 464 OD1 ASN A 36 8.909 6.577 9.626 1.00 0.00 O ATOM 465 ND2 ASN A 36 8.596 5.169 7.896 1.00 0.00 N ATOM 0 H ASN A 36 6.300 4.470 10.825 1.00 0.00 H new ATOM 0 HA ASN A 36 6.995 7.125 10.809 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.194 5.118 8.717 1.00 0.00 H new ATOM 0 HB3 ASN A 36 6.282 6.798 8.227 1.00 0.00 H new ATOM 0 HD21 ASN A 36 9.596 5.030 7.752 1.00 0.00 H new ATOM 0 HD22 ASN A 36 7.923 4.692 7.296 1.00 0.00 H new ATOM 472 N SER A 37 4.865 8.158 9.229 1.00 0.00 N ATOM 473 CA SER A 37 3.686 8.970 8.986 1.00 0.00 C ATOM 474 C SER A 37 2.754 8.258 8.003 1.00 0.00 C ATOM 475 O SER A 37 2.101 8.901 7.185 1.00 0.00 O ATOM 476 CB SER A 37 4.068 10.351 8.450 1.00 0.00 C ATOM 477 OG SER A 37 4.842 10.264 7.256 1.00 0.00 O ATOM 0 H SER A 37 5.632 8.313 8.575 1.00 0.00 H new ATOM 0 HA SER A 37 3.166 9.110 9.934 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.164 10.927 8.255 1.00 0.00 H new ATOM 0 HB3 SER A 37 4.633 10.892 9.210 1.00 0.00 H new ATOM 0 HG SER A 37 5.065 11.166 6.944 1.00 0.00 H new ATOM 483 N TYR A 38 2.724 6.938 8.117 1.00 0.00 N ATOM 484 CA TYR A 38 1.884 6.131 7.248 1.00 0.00 C ATOM 485 C TYR A 38 0.435 6.123 7.740 1.00 0.00 C ATOM 486 O TYR A 38 0.185 6.114 8.944 1.00 0.00 O ATOM 487 CB TYR A 38 2.443 4.709 7.323 1.00 0.00 C ATOM 488 CG TYR A 38 3.855 4.565 6.752 1.00 0.00 C ATOM 489 CD1 TYR A 38 4.772 5.583 6.913 1.00 0.00 C ATOM 490 CD2 TYR A 38 4.211 3.416 6.075 1.00 0.00 C ATOM 491 CE1 TYR A 38 6.101 5.448 6.376 1.00 0.00 C ATOM 492 CE2 TYR A 38 5.540 3.280 5.537 1.00 0.00 C ATOM 493 CZ TYR A 38 6.420 4.302 5.715 1.00 0.00 C ATOM 494 OH TYR A 38 7.675 4.174 5.207 1.00 0.00 O ATOM 0 H TYR A 38 3.268 6.407 8.798 1.00 0.00 H new ATOM 0 HA TYR A 38 1.888 6.529 6.233 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.448 4.386 8.364 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.774 4.038 6.785 1.00 0.00 H new ATOM 0 HD1 TYR A 38 4.493 6.482 7.442 1.00 0.00 H new ATOM 0 HD2 TYR A 38 3.493 2.619 5.949 1.00 0.00 H new ATOM 0 HE1 TYR A 38 6.828 6.238 6.495 1.00 0.00 H new ATOM 0 HE2 TYR A 38 5.831 2.387 5.004 1.00 0.00 H new ATOM 0 HH TYR A 38 7.761 3.305 4.763 1.00 0.00 H new ATOM 504 N PRO A 39 -0.505 6.127 6.757 1.00 0.00 N ATOM 505 CA PRO A 39 -0.123 6.138 5.356 1.00 0.00 C ATOM 506 C PRO A 39 0.373 7.523 4.934 1.00 0.00 C ATOM 507 O PRO A 39 0.414 8.447 5.745 1.00 0.00 O ATOM 508 CB PRO A 39 -1.369 5.701 4.605 1.00 0.00 C ATOM 509 CG PRO A 39 -2.530 5.909 5.565 1.00 0.00 C ATOM 510 CD PRO A 39 -1.952 6.122 6.955 1.00 0.00 C ATOM 0 HA PRO A 39 0.710 5.469 5.142 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -1.503 6.288 3.697 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.296 4.657 4.301 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -3.126 6.770 5.263 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -3.193 5.044 5.556 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.296 7.062 7.387 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -2.256 5.327 7.636 1.00 0.00 H new ATOM 518 N HIS A 40 0.740 7.623 3.665 1.00 0.00 N ATOM 519 CA HIS A 40 1.232 8.879 3.125 1.00 0.00 C ATOM 520 C HIS A 40 1.345 8.775 1.603 1.00 0.00 C ATOM 521 O HIS A 40 1.235 7.686 1.042 1.00 0.00 O ATOM 522 CB HIS A 40 2.550 9.277 3.791 1.00 0.00 C ATOM 523 CG HIS A 40 3.713 8.383 3.434 1.00 0.00 C ATOM 524 ND1 HIS A 40 4.325 8.408 2.193 1.00 0.00 N ATOM 525 CD2 HIS A 40 4.371 7.441 4.169 1.00 0.00 C ATOM 526 CE1 HIS A 40 5.304 7.516 2.191 1.00 0.00 C ATOM 527 NE2 HIS A 40 5.331 6.916 3.416 1.00 0.00 N ATOM 0 H HIS A 40 0.707 6.855 2.995 1.00 0.00 H new ATOM 0 HA HIS A 40 0.523 9.677 3.348 1.00 0.00 H new ATOM 0 HB2 HIS A 40 2.793 10.302 3.509 1.00 0.00 H new ATOM 0 HB3 HIS A 40 2.416 9.267 4.873 1.00 0.00 H new ATOM 0 HD1 HIS A 40 4.066 9.011 1.412 1.00 0.00 H new ATOM 0 HD2 HIS A 40 4.149 7.168 5.190 1.00 0.00 H new ATOM 0 HE1 HIS A 40 5.965 7.301 1.364 1.00 0.00 H new ATOM 536 N LYS A 41 1.564 9.923 0.977 1.00 0.00 N ATOM 537 CA LYS A 41 1.693 9.974 -0.468 1.00 0.00 C ATOM 538 C LYS A 41 2.726 8.940 -0.921 1.00 0.00 C ATOM 539 O LYS A 41 3.475 8.406 -0.104 1.00 0.00 O ATOM 540 CB LYS A 41 2.008 11.399 -0.929 1.00 0.00 C ATOM 541 CG LYS A 41 1.553 11.623 -2.371 1.00 0.00 C ATOM 542 CD LYS A 41 1.418 13.116 -2.678 1.00 0.00 C ATOM 543 CE LYS A 41 2.754 13.836 -2.493 1.00 0.00 C ATOM 544 NZ LYS A 41 2.704 15.186 -3.099 1.00 0.00 N ATOM 0 H LYS A 41 1.655 10.824 1.445 1.00 0.00 H new ATOM 0 HA LYS A 41 0.748 9.711 -0.943 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.513 12.115 -0.273 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.080 11.582 -0.850 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.269 11.171 -3.057 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.597 11.126 -2.536 1.00 0.00 H new ATOM 0 HD2 LYS A 41 1.067 13.250 -3.701 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.668 13.559 -2.023 1.00 0.00 H new ATOM 0 HE2 LYS A 41 2.987 13.916 -1.431 1.00 0.00 H new ATOM 0 HE3 LYS A 41 3.554 13.254 -2.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 3.619 15.661 -2.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.503 15.103 -4.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 1.954 15.744 -2.643 1.00 0.00 H new ATOM 558 N TYR A 42 2.733 8.686 -2.222 1.00 0.00 N ATOM 559 CA TYR A 42 3.661 7.725 -2.792 1.00 0.00 C ATOM 560 C TYR A 42 3.845 7.964 -4.293 1.00 0.00 C ATOM 561 O TYR A 42 4.870 7.595 -4.862 1.00 0.00 O ATOM 562 CB TYR A 42 3.026 6.349 -2.581 1.00 0.00 C ATOM 563 CG TYR A 42 3.582 5.260 -3.500 1.00 0.00 C ATOM 564 CD1 TYR A 42 3.345 5.316 -4.858 1.00 0.00 C ATOM 565 CD2 TYR A 42 4.320 4.220 -2.971 1.00 0.00 C ATOM 566 CE1 TYR A 42 3.869 4.291 -5.724 1.00 0.00 C ATOM 567 CE2 TYR A 42 4.843 3.195 -3.836 1.00 0.00 C ATOM 568 CZ TYR A 42 4.591 3.281 -5.170 1.00 0.00 C ATOM 569 OH TYR A 42 5.086 2.312 -5.987 1.00 0.00 O ATOM 0 H TYR A 42 2.110 9.130 -2.897 1.00 0.00 H new ATOM 0 HA TYR A 42 4.640 7.810 -2.320 1.00 0.00 H new ATOM 0 HB2 TYR A 42 3.175 6.046 -1.545 1.00 0.00 H new ATOM 0 HB3 TYR A 42 1.950 6.429 -2.738 1.00 0.00 H new ATOM 0 HD1 TYR A 42 2.766 6.129 -5.272 1.00 0.00 H new ATOM 0 HD2 TYR A 42 4.505 4.175 -1.908 1.00 0.00 H new ATOM 0 HE1 TYR A 42 3.692 4.324 -6.789 1.00 0.00 H new ATOM 0 HE2 TYR A 42 5.422 2.376 -3.435 1.00 0.00 H new ATOM 0 HH TYR A 42 5.623 2.724 -6.696 1.00 0.00 H new ATOM 579 N ASN A 43 2.834 8.580 -4.889 1.00 0.00 N ATOM 580 CA ASN A 43 2.871 8.872 -6.312 1.00 0.00 C ATOM 581 C ASN A 43 3.265 7.609 -7.078 1.00 0.00 C ATOM 582 O ASN A 43 2.453 6.699 -7.241 1.00 0.00 O ATOM 583 CB ASN A 43 3.904 9.957 -6.624 1.00 0.00 C ATOM 584 CG ASN A 43 3.302 11.352 -6.460 1.00 0.00 C ATOM 585 OD1 ASN A 43 2.839 11.973 -7.404 1.00 0.00 O ATOM 586 ND2 ASN A 43 3.334 11.812 -5.213 1.00 0.00 N ATOM 0 H ASN A 43 1.985 8.885 -4.413 1.00 0.00 H new ATOM 0 HA ASN A 43 1.882 9.219 -6.611 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.763 9.848 -5.961 1.00 0.00 H new ATOM 0 HB3 ASN A 43 4.270 9.833 -7.643 1.00 0.00 H new ATOM 0 HD21 ASN A 43 2.957 12.736 -5.000 1.00 0.00 H new ATOM 0 HD22 ASN A 43 3.736 11.241 -4.469 1.00 0.00 H new ATOM 593 N ASN A 44 4.511 7.592 -7.528 1.00 0.00 N ATOM 594 CA ASN A 44 5.022 6.454 -8.273 1.00 0.00 C ATOM 595 C ASN A 44 6.127 6.925 -9.221 1.00 0.00 C ATOM 596 O ASN A 44 6.438 8.114 -9.275 1.00 0.00 O ATOM 597 CB ASN A 44 3.920 5.808 -9.116 1.00 0.00 C ATOM 598 CG ASN A 44 3.664 6.612 -10.393 1.00 0.00 C ATOM 599 OD1 ASN A 44 2.959 7.608 -10.398 1.00 0.00 O ATOM 600 ND2 ASN A 44 4.273 6.126 -11.470 1.00 0.00 N ATOM 0 H ASN A 44 5.182 8.348 -7.391 1.00 0.00 H new ATOM 0 HA ASN A 44 5.403 5.726 -7.557 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.206 4.789 -9.375 1.00 0.00 H new ATOM 0 HB3 ASN A 44 3.002 5.743 -8.533 1.00 0.00 H new ATOM 0 HD21 ASN A 44 4.164 6.591 -12.371 1.00 0.00 H new ATOM 0 HD22 ASN A 44 4.849 5.288 -11.395 1.00 0.00 H new ATOM 607 N TYR A 45 6.691 5.969 -9.943 1.00 0.00 N ATOM 608 CA TYR A 45 7.756 6.271 -10.885 1.00 0.00 C ATOM 609 C TYR A 45 8.441 4.990 -11.366 1.00 0.00 C ATOM 610 O TYR A 45 8.681 4.822 -12.561 1.00 0.00 O ATOM 611 CB TYR A 45 8.769 7.120 -10.118 1.00 0.00 C ATOM 612 CG TYR A 45 8.660 8.621 -10.394 1.00 0.00 C ATOM 613 CD1 TYR A 45 7.568 9.119 -11.074 1.00 0.00 C ATOM 614 CD2 TYR A 45 9.654 9.476 -9.963 1.00 0.00 C ATOM 615 CE1 TYR A 45 7.465 10.532 -11.335 1.00 0.00 C ATOM 616 CE2 TYR A 45 9.551 10.888 -10.223 1.00 0.00 C ATOM 617 CZ TYR A 45 8.462 11.347 -10.896 1.00 0.00 C ATOM 618 OH TYR A 45 8.365 12.681 -11.142 1.00 0.00 O ATOM 0 H TYR A 45 6.431 4.984 -9.895 1.00 0.00 H new ATOM 0 HA TYR A 45 7.360 6.784 -11.761 1.00 0.00 H new ATOM 0 HB2 TYR A 45 8.638 6.947 -9.050 1.00 0.00 H new ATOM 0 HB3 TYR A 45 9.775 6.786 -10.374 1.00 0.00 H new ATOM 0 HD1 TYR A 45 6.790 8.450 -11.411 1.00 0.00 H new ATOM 0 HD2 TYR A 45 10.509 9.086 -9.431 1.00 0.00 H new ATOM 0 HE1 TYR A 45 6.616 10.935 -11.867 1.00 0.00 H new ATOM 0 HE2 TYR A 45 10.322 11.568 -9.891 1.00 0.00 H new ATOM 0 HH TYR A 45 9.147 13.140 -10.770 1.00 0.00 H new ATOM 628 N GLU A 46 8.738 4.120 -10.412 1.00 0.00 N ATOM 629 CA GLU A 46 9.391 2.861 -10.723 1.00 0.00 C ATOM 630 C GLU A 46 8.731 2.207 -11.939 1.00 0.00 C ATOM 631 O GLU A 46 9.320 1.334 -12.575 1.00 0.00 O ATOM 632 CB GLU A 46 9.371 1.920 -9.517 1.00 0.00 C ATOM 633 CG GLU A 46 10.375 2.371 -8.454 1.00 0.00 C ATOM 634 CD GLU A 46 10.685 3.864 -8.590 1.00 0.00 C ATOM 635 OE1 GLU A 46 11.591 4.184 -9.389 1.00 0.00 O ATOM 636 OE2 GLU A 46 10.008 4.650 -7.893 1.00 0.00 O ATOM 0 H GLU A 46 8.538 4.263 -9.422 1.00 0.00 H new ATOM 0 HA GLU A 46 10.434 3.066 -10.966 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.369 1.893 -9.088 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.607 0.906 -9.839 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.974 2.168 -7.461 1.00 0.00 H new ATOM 0 HG3 GLU A 46 11.295 1.795 -8.550 1.00 0.00 H new ATOM 643 N GLY A 47 7.518 2.655 -12.226 1.00 0.00 N ATOM 644 CA GLY A 47 6.771 2.124 -13.355 1.00 0.00 C ATOM 645 C GLY A 47 5.573 1.300 -12.881 1.00 0.00 C ATOM 646 O GLY A 47 5.423 0.140 -13.262 1.00 0.00 O ATOM 0 H GLY A 47 7.033 3.380 -11.697 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.426 2.944 -13.985 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.424 1.503 -13.968 1.00 0.00 H new ATOM 650 N PHE A 48 4.751 1.930 -12.056 1.00 0.00 N ATOM 651 CA PHE A 48 3.570 1.269 -11.526 1.00 0.00 C ATOM 652 C PHE A 48 2.326 1.633 -12.339 1.00 0.00 C ATOM 653 O PHE A 48 2.107 2.802 -12.656 1.00 0.00 O ATOM 654 CB PHE A 48 3.388 1.764 -10.088 1.00 0.00 C ATOM 655 CG PHE A 48 4.468 1.274 -9.121 1.00 0.00 C ATOM 656 CD1 PHE A 48 4.428 0.001 -8.646 1.00 0.00 C ATOM 657 CD2 PHE A 48 5.467 2.113 -8.738 1.00 0.00 C ATOM 658 CE1 PHE A 48 5.431 -0.452 -7.747 1.00 0.00 C ATOM 659 CE2 PHE A 48 6.469 1.660 -7.840 1.00 0.00 C ATOM 660 CZ PHE A 48 6.429 0.386 -7.364 1.00 0.00 C ATOM 0 H PHE A 48 4.879 2.892 -11.741 1.00 0.00 H new ATOM 0 HA PHE A 48 3.697 0.187 -11.572 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.382 2.854 -10.088 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.413 1.439 -9.723 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.635 -0.665 -8.951 1.00 0.00 H new ATOM 0 HD2 PHE A 48 5.498 3.124 -9.117 1.00 0.00 H new ATOM 0 HE1 PHE A 48 5.400 -1.463 -7.368 1.00 0.00 H new ATOM 0 HE2 PHE A 48 7.262 2.326 -7.535 1.00 0.00 H new ATOM 0 HZ PHE A 48 7.191 0.041 -6.681 1.00 0.00 H new ATOM 670 N ASP A 49 1.543 0.611 -12.653 1.00 0.00 N ATOM 671 CA ASP A 49 0.327 0.809 -13.423 1.00 0.00 C ATOM 672 C ASP A 49 -0.857 0.959 -12.467 1.00 0.00 C ATOM 673 O ASP A 49 -1.738 0.100 -12.424 1.00 0.00 O ATOM 674 CB ASP A 49 0.052 -0.389 -14.333 1.00 0.00 C ATOM 675 CG ASP A 49 1.297 -1.142 -14.808 1.00 0.00 C ATOM 676 OD1 ASP A 49 1.899 -1.833 -13.960 1.00 0.00 O ATOM 677 OD2 ASP A 49 1.617 -1.008 -16.008 1.00 0.00 O ATOM 0 H ASP A 49 1.727 -0.357 -12.388 1.00 0.00 H new ATOM 0 HA ASP A 49 0.455 1.703 -14.033 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.596 -1.087 -13.803 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.500 -0.043 -15.207 1.00 0.00 H new ATOM 682 N PHE A 50 -0.842 2.056 -11.724 1.00 0.00 N ATOM 683 CA PHE A 50 -1.905 2.330 -10.772 1.00 0.00 C ATOM 684 C PHE A 50 -3.207 2.688 -11.490 1.00 0.00 C ATOM 685 O PHE A 50 -3.344 3.788 -12.023 1.00 0.00 O ATOM 686 CB PHE A 50 -1.455 3.526 -9.931 1.00 0.00 C ATOM 687 CG PHE A 50 -0.310 3.213 -8.966 1.00 0.00 C ATOM 688 CD1 PHE A 50 0.130 1.933 -8.824 1.00 0.00 C ATOM 689 CD2 PHE A 50 0.270 4.214 -8.250 1.00 0.00 C ATOM 690 CE1 PHE A 50 1.193 1.643 -7.928 1.00 0.00 C ATOM 691 CE2 PHE A 50 1.333 3.924 -7.355 1.00 0.00 C ATOM 692 CZ PHE A 50 1.772 2.644 -7.212 1.00 0.00 C ATOM 0 H PHE A 50 -0.110 2.766 -11.762 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.091 1.448 -10.159 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.144 4.330 -10.598 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -2.306 3.897 -9.360 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.329 1.138 -9.393 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.079 5.230 -8.363 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.542 0.627 -7.815 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.793 4.719 -6.788 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.580 2.423 -6.530 1.00 0.00 H new ATOM 702 N SER A 51 -4.131 1.738 -11.483 1.00 0.00 N ATOM 703 CA SER A 51 -5.417 1.939 -12.128 1.00 0.00 C ATOM 704 C SER A 51 -6.278 2.888 -11.293 1.00 0.00 C ATOM 705 O SER A 51 -7.505 2.857 -11.378 1.00 0.00 O ATOM 706 CB SER A 51 -6.143 0.608 -12.336 1.00 0.00 C ATOM 707 OG SER A 51 -6.459 -0.027 -11.100 1.00 0.00 O ATOM 0 H SER A 51 -4.014 0.827 -11.040 1.00 0.00 H new ATOM 0 HA SER A 51 -5.243 2.384 -13.108 1.00 0.00 H new ATOM 0 HB2 SER A 51 -7.060 0.779 -12.900 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.519 -0.055 -12.935 1.00 0.00 H new ATOM 0 HG SER A 51 -6.923 -0.872 -11.276 1.00 0.00 H new ATOM 713 N VAL A 52 -5.601 3.711 -10.504 1.00 0.00 N ATOM 714 CA VAL A 52 -6.289 4.668 -9.655 1.00 0.00 C ATOM 715 C VAL A 52 -5.675 6.055 -9.856 1.00 0.00 C ATOM 716 O VAL A 52 -4.558 6.177 -10.354 1.00 0.00 O ATOM 717 CB VAL A 52 -6.246 4.200 -8.199 1.00 0.00 C ATOM 718 CG1 VAL A 52 -7.043 2.908 -8.014 1.00 0.00 C ATOM 719 CG2 VAL A 52 -4.802 4.027 -7.720 1.00 0.00 C ATOM 0 H VAL A 52 -4.584 3.734 -10.435 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.342 4.736 -9.930 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.712 4.972 -7.586 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.996 2.598 -6.970 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -8.082 3.078 -8.295 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.620 2.126 -8.644 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.800 3.694 -6.682 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.299 3.285 -8.340 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.277 4.979 -7.796 1.00 0.00 H new ATOM 729 N SER A 53 -6.434 7.065 -9.457 1.00 0.00 N ATOM 730 CA SER A 53 -5.979 8.440 -9.586 1.00 0.00 C ATOM 731 C SER A 53 -5.297 8.889 -8.293 1.00 0.00 C ATOM 732 O SER A 53 -5.584 8.362 -7.220 1.00 0.00 O ATOM 733 CB SER A 53 -7.140 9.375 -9.927 1.00 0.00 C ATOM 734 OG SER A 53 -7.454 9.353 -11.318 1.00 0.00 O ATOM 0 H SER A 53 -7.361 6.959 -9.044 1.00 0.00 H new ATOM 0 HA SER A 53 -5.259 8.487 -10.403 1.00 0.00 H new ATOM 0 HB2 SER A 53 -8.020 9.085 -9.352 1.00 0.00 H new ATOM 0 HB3 SER A 53 -6.886 10.392 -9.629 1.00 0.00 H new ATOM 0 HG SER A 53 -8.201 9.962 -11.494 1.00 0.00 H new ATOM 740 N SER A 54 -4.407 9.861 -8.437 1.00 0.00 N ATOM 741 CA SER A 54 -3.683 10.388 -7.293 1.00 0.00 C ATOM 742 C SER A 54 -4.633 11.177 -6.390 1.00 0.00 C ATOM 743 O SER A 54 -5.781 11.423 -6.756 1.00 0.00 O ATOM 744 CB SER A 54 -2.518 11.273 -7.740 1.00 0.00 C ATOM 745 OG SER A 54 -2.870 12.654 -7.753 1.00 0.00 O ATOM 0 H SER A 54 -4.171 10.297 -9.329 1.00 0.00 H new ATOM 0 HA SER A 54 -3.273 9.549 -6.732 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.670 11.121 -7.072 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.196 10.972 -8.737 1.00 0.00 H new ATOM 0 HG SER A 54 -2.099 13.185 -8.042 1.00 0.00 H new ATOM 751 N PRO A 55 -4.105 11.561 -5.197 1.00 0.00 N ATOM 752 CA PRO A 55 -2.735 11.229 -4.843 1.00 0.00 C ATOM 753 C PRO A 55 -2.611 9.752 -4.461 1.00 0.00 C ATOM 754 O PRO A 55 -3.568 9.150 -3.974 1.00 0.00 O ATOM 755 CB PRO A 55 -2.385 12.168 -3.701 1.00 0.00 C ATOM 756 CG PRO A 55 -3.711 12.669 -3.151 1.00 0.00 C ATOM 757 CD PRO A 55 -4.795 12.320 -4.158 1.00 0.00 C ATOM 0 HA PRO A 55 -2.042 11.359 -5.674 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -1.814 11.650 -2.931 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -1.770 12.997 -4.051 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -3.923 12.207 -2.187 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.674 13.746 -2.988 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -5.588 11.731 -3.698 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -5.260 13.217 -4.566 1.00 0.00 H new ATOM 765 N TYR A 56 -1.426 9.210 -4.696 1.00 0.00 N ATOM 766 CA TYR A 56 -1.163 7.816 -4.383 1.00 0.00 C ATOM 767 C TYR A 56 -0.620 7.666 -2.960 1.00 0.00 C ATOM 768 O TYR A 56 0.491 8.106 -2.667 1.00 0.00 O ATOM 769 CB TYR A 56 -0.095 7.354 -5.376 1.00 0.00 C ATOM 770 CG TYR A 56 -0.602 7.208 -6.812 1.00 0.00 C ATOM 771 CD1 TYR A 56 -1.815 6.596 -7.057 1.00 0.00 C ATOM 772 CD2 TYR A 56 0.154 7.686 -7.863 1.00 0.00 C ATOM 773 CE1 TYR A 56 -2.292 6.457 -8.408 1.00 0.00 C ATOM 774 CE2 TYR A 56 -0.324 7.548 -9.214 1.00 0.00 C ATOM 775 CZ TYR A 56 -1.523 6.941 -9.420 1.00 0.00 C ATOM 776 OH TYR A 56 -1.974 6.810 -10.697 1.00 0.00 O ATOM 0 H TYR A 56 -0.635 9.712 -5.100 1.00 0.00 H new ATOM 0 HA TYR A 56 -2.079 7.228 -4.451 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.730 8.066 -5.364 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.305 6.396 -5.044 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -2.406 6.221 -6.235 1.00 0.00 H new ATOM 0 HD2 TYR A 56 1.104 8.163 -7.672 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -3.239 5.979 -8.613 1.00 0.00 H new ATOM 0 HE2 TYR A 56 0.257 7.919 -10.046 1.00 0.00 H new ATOM 0 HH TYR A 56 -2.835 6.342 -10.693 1.00 0.00 H new ATOM 786 N TYR A 57 -1.428 7.044 -2.115 1.00 0.00 N ATOM 787 CA TYR A 57 -1.042 6.831 -0.730 1.00 0.00 C ATOM 788 C TYR A 57 -0.424 5.444 -0.541 1.00 0.00 C ATOM 789 O TYR A 57 -0.937 4.455 -1.063 1.00 0.00 O ATOM 790 CB TYR A 57 -2.334 6.916 0.085 1.00 0.00 C ATOM 791 CG TYR A 57 -3.130 8.202 -0.143 1.00 0.00 C ATOM 792 CD1 TYR A 57 -2.476 9.367 -0.486 1.00 0.00 C ATOM 793 CD2 TYR A 57 -4.504 8.196 -0.005 1.00 0.00 C ATOM 794 CE1 TYR A 57 -3.226 10.577 -0.701 1.00 0.00 C ATOM 795 CE2 TYR A 57 -5.253 9.407 -0.220 1.00 0.00 C ATOM 796 CZ TYR A 57 -4.577 10.537 -0.557 1.00 0.00 C ATOM 797 OH TYR A 57 -5.286 11.681 -0.760 1.00 0.00 O ATOM 0 H TYR A 57 -2.348 6.680 -2.362 1.00 0.00 H new ATOM 0 HA TYR A 57 -0.302 7.569 -0.419 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.964 6.062 -0.163 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -2.089 6.835 1.144 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -1.401 9.372 -0.593 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -5.016 7.284 0.264 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -2.726 11.496 -0.971 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.328 9.417 -0.116 1.00 0.00 H new ATOM 0 HH TYR A 57 -4.807 12.438 -0.362 1.00 0.00 H new ATOM 807 N GLU A 58 0.670 5.416 0.207 1.00 0.00 N ATOM 808 CA GLU A 58 1.364 4.167 0.471 1.00 0.00 C ATOM 809 C GLU A 58 0.960 3.615 1.839 1.00 0.00 C ATOM 810 O GLU A 58 0.686 4.378 2.765 1.00 0.00 O ATOM 811 CB GLU A 58 2.879 4.351 0.381 1.00 0.00 C ATOM 812 CG GLU A 58 3.362 5.417 1.367 1.00 0.00 C ATOM 813 CD GLU A 58 3.080 4.994 2.811 1.00 0.00 C ATOM 814 OE1 GLU A 58 3.473 3.860 3.157 1.00 0.00 O ATOM 815 OE2 GLU A 58 2.478 5.816 3.535 1.00 0.00 O ATOM 0 H GLU A 58 1.092 6.238 0.638 1.00 0.00 H new ATOM 0 HA GLU A 58 1.073 3.445 -0.292 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.377 3.404 0.591 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.154 4.638 -0.634 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.431 5.583 1.235 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.864 6.364 1.158 1.00 0.00 H new ATOM 822 N TRP A 59 0.934 2.292 1.925 1.00 0.00 N ATOM 823 CA TRP A 59 0.567 1.630 3.165 1.00 0.00 C ATOM 824 C TRP A 59 1.006 0.167 3.066 1.00 0.00 C ATOM 825 O TRP A 59 0.980 -0.420 1.986 1.00 0.00 O ATOM 826 CB TRP A 59 -0.926 1.788 3.451 1.00 0.00 C ATOM 827 CG TRP A 59 -1.427 0.951 4.630 1.00 0.00 C ATOM 828 CD1 TRP A 59 -1.999 -0.261 4.597 1.00 0.00 C ATOM 829 CD2 TRP A 59 -1.376 1.315 6.025 1.00 0.00 C ATOM 830 NE1 TRP A 59 -2.320 -0.702 5.865 1.00 0.00 N ATOM 831 CE2 TRP A 59 -1.928 0.286 6.761 1.00 0.00 C ATOM 832 CE3 TRP A 59 -0.880 2.475 6.646 1.00 0.00 C ATOM 833 CZ2 TRP A 59 -2.037 0.314 8.156 1.00 0.00 C ATOM 834 CZ3 TRP A 59 -0.996 2.487 8.041 1.00 0.00 C ATOM 835 CH2 TRP A 59 -1.550 1.460 8.797 1.00 0.00 C ATOM 0 H TRP A 59 1.161 1.662 1.156 1.00 0.00 H new ATOM 0 HA TRP A 59 1.074 2.090 4.013 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -1.138 2.839 3.649 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.487 1.512 2.558 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -2.185 -0.821 3.693 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -2.763 -1.590 6.101 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -0.444 3.292 6.091 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -2.473 -0.505 8.709 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -0.629 3.356 8.567 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -1.604 1.546 9.872 1.00 0.00 H new ATOM 846 N PRO A 60 1.409 -0.393 4.239 1.00 0.00 N ATOM 847 CA PRO A 60 1.852 -1.775 4.294 1.00 0.00 C ATOM 848 C PRO A 60 0.664 -2.735 4.204 1.00 0.00 C ATOM 849 O PRO A 60 -0.452 -2.386 4.585 1.00 0.00 O ATOM 850 CB PRO A 60 2.611 -1.892 5.606 1.00 0.00 C ATOM 851 CG PRO A 60 2.171 -0.707 6.449 1.00 0.00 C ATOM 852 CD PRO A 60 1.452 0.273 5.537 1.00 0.00 C ATOM 0 HA PRO A 60 2.491 -2.046 3.453 1.00 0.00 H new ATOM 0 HB2 PRO A 60 2.383 -2.833 6.106 1.00 0.00 H new ATOM 0 HB3 PRO A 60 3.688 -1.873 5.437 1.00 0.00 H new ATOM 0 HG2 PRO A 60 1.512 -1.034 7.253 1.00 0.00 H new ATOM 0 HG3 PRO A 60 3.032 -0.231 6.917 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.449 0.492 5.903 1.00 0.00 H new ATOM 0 HD3 PRO A 60 1.984 1.222 5.478 1.00 0.00 H new ATOM 860 N ILE A 61 0.945 -3.927 3.696 1.00 0.00 N ATOM 861 CA ILE A 61 -0.087 -4.941 3.551 1.00 0.00 C ATOM 862 C ILE A 61 0.315 -6.187 4.341 1.00 0.00 C ATOM 863 O ILE A 61 1.316 -6.830 4.028 1.00 0.00 O ATOM 864 CB ILE A 61 -0.364 -5.213 2.071 1.00 0.00 C ATOM 865 CG1 ILE A 61 -1.742 -5.852 1.881 1.00 0.00 C ATOM 866 CG2 ILE A 61 0.751 -6.058 1.450 1.00 0.00 C ATOM 867 CD1 ILE A 61 -2.143 -5.859 0.404 1.00 0.00 C ATOM 0 H ILE A 61 1.872 -4.213 3.380 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.030 -4.589 3.969 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.375 -4.259 1.544 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.730 -6.873 2.263 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.484 -5.304 2.461 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.529 -6.237 0.398 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.700 -5.528 1.536 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.819 -7.012 1.973 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.126 -6.318 0.296 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.178 -4.835 0.032 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.411 -6.429 -0.169 1.00 0.00 H new ATOM 879 N LEU A 62 -0.487 -6.492 5.351 1.00 0.00 N ATOM 880 CA LEU A 62 -0.228 -7.651 6.188 1.00 0.00 C ATOM 881 C LEU A 62 -0.899 -8.881 5.572 1.00 0.00 C ATOM 882 O LEU A 62 -2.118 -8.914 5.417 1.00 0.00 O ATOM 883 CB LEU A 62 -0.656 -7.376 7.631 1.00 0.00 C ATOM 884 CG LEU A 62 0.171 -6.336 8.390 1.00 0.00 C ATOM 885 CD1 LEU A 62 -0.664 -5.656 9.475 1.00 0.00 C ATOM 886 CD2 LEU A 62 1.450 -6.959 8.954 1.00 0.00 C ATOM 0 H LEU A 62 -1.316 -5.957 5.608 1.00 0.00 H new ATOM 0 HA LEU A 62 0.841 -7.858 6.230 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.696 -7.050 7.624 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.620 -8.314 8.185 1.00 0.00 H new ATOM 0 HG LEU A 62 0.474 -5.561 7.687 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.052 -4.922 9.999 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.518 -5.156 9.017 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.019 -6.404 10.184 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.020 -6.199 9.489 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.190 -7.766 9.639 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.052 -7.356 8.137 1.00 0.00 H new ATOM 898 N SER A 63 -0.072 -9.861 5.237 1.00 0.00 N ATOM 899 CA SER A 63 -0.570 -11.089 4.641 1.00 0.00 C ATOM 900 C SER A 63 -1.420 -11.855 5.656 1.00 0.00 C ATOM 901 O SER A 63 -1.998 -12.892 5.331 1.00 0.00 O ATOM 902 CB SER A 63 0.581 -11.965 4.142 1.00 0.00 C ATOM 903 OG SER A 63 0.221 -12.708 2.982 1.00 0.00 O ATOM 0 H SER A 63 0.939 -9.829 5.367 1.00 0.00 H new ATOM 0 HA SER A 63 -1.189 -10.827 3.783 1.00 0.00 H new ATOM 0 HB2 SER A 63 1.443 -11.337 3.917 1.00 0.00 H new ATOM 0 HB3 SER A 63 0.884 -12.651 4.933 1.00 0.00 H new ATOM 0 HG SER A 63 0.982 -13.253 2.693 1.00 0.00 H new ATOM 909 N SER A 64 -1.469 -11.318 6.866 1.00 0.00 N ATOM 910 CA SER A 64 -2.238 -11.939 7.931 1.00 0.00 C ATOM 911 C SER A 64 -3.650 -11.351 7.967 1.00 0.00 C ATOM 912 O SER A 64 -4.542 -11.907 8.607 1.00 0.00 O ATOM 913 CB SER A 64 -1.552 -11.755 9.286 1.00 0.00 C ATOM 914 OG SER A 64 -0.653 -12.823 9.578 1.00 0.00 O ATOM 0 H SER A 64 -0.988 -10.459 7.133 1.00 0.00 H new ATOM 0 HA SER A 64 -2.301 -13.008 7.729 1.00 0.00 H new ATOM 0 HB2 SER A 64 -1.008 -10.811 9.292 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.307 -11.692 10.069 1.00 0.00 H new ATOM 0 HG SER A 64 -0.234 -12.668 10.450 1.00 0.00 H new ATOM 920 N GLY A 65 -3.810 -10.234 7.273 1.00 0.00 N ATOM 921 CA GLY A 65 -5.098 -9.565 7.217 1.00 0.00 C ATOM 922 C GLY A 65 -5.292 -8.650 8.428 1.00 0.00 C ATOM 923 O GLY A 65 -6.399 -8.533 8.951 1.00 0.00 O ATOM 0 H GLY A 65 -3.068 -9.775 6.744 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -5.169 -8.981 6.300 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -5.896 -10.307 7.185 1.00 0.00 H new ATOM 927 N ASP A 66 -4.199 -8.022 8.836 1.00 0.00 N ATOM 928 CA ASP A 66 -4.235 -7.120 9.975 1.00 0.00 C ATOM 929 C ASP A 66 -4.125 -5.676 9.480 1.00 0.00 C ATOM 930 O ASP A 66 -4.228 -5.418 8.281 1.00 0.00 O ATOM 931 CB ASP A 66 -3.066 -7.385 10.924 1.00 0.00 C ATOM 932 CG ASP A 66 -3.075 -8.760 11.595 1.00 0.00 C ATOM 933 OD1 ASP A 66 -3.219 -9.754 10.849 1.00 0.00 O ATOM 934 OD2 ASP A 66 -2.938 -8.787 12.837 1.00 0.00 O ATOM 0 H ASP A 66 -3.283 -8.120 8.398 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.173 -7.283 10.505 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.135 -7.275 10.368 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.067 -6.619 11.700 1.00 0.00 H new ATOM 939 N VAL A 67 -3.918 -4.774 10.428 1.00 0.00 N ATOM 940 CA VAL A 67 -3.793 -3.364 10.103 1.00 0.00 C ATOM 941 C VAL A 67 -2.489 -2.823 10.692 1.00 0.00 C ATOM 942 O VAL A 67 -2.398 -2.588 11.896 1.00 0.00 O ATOM 943 CB VAL A 67 -5.030 -2.603 10.589 1.00 0.00 C ATOM 944 CG1 VAL A 67 -4.714 -1.121 10.799 1.00 0.00 C ATOM 945 CG2 VAL A 67 -6.200 -2.782 9.619 1.00 0.00 C ATOM 0 H VAL A 67 -3.834 -4.992 11.421 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.745 -3.224 9.023 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.325 -3.022 11.551 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.609 -0.603 11.144 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.926 -1.019 11.545 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.382 -0.683 9.858 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.066 -2.232 9.988 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.920 -2.402 8.637 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.449 -3.840 9.541 1.00 0.00 H new ATOM 955 N TYR A 68 -1.513 -2.640 9.815 1.00 0.00 N ATOM 956 CA TYR A 68 -0.217 -2.131 10.234 1.00 0.00 C ATOM 957 C TYR A 68 -0.376 -0.941 11.181 1.00 0.00 C ATOM 958 O TYR A 68 -0.463 0.203 10.737 1.00 0.00 O ATOM 959 CB TYR A 68 0.484 -1.663 8.957 1.00 0.00 C ATOM 960 CG TYR A 68 1.680 -0.741 9.207 1.00 0.00 C ATOM 961 CD1 TYR A 68 2.803 -1.227 9.843 1.00 0.00 C ATOM 962 CD2 TYR A 68 1.634 0.575 8.794 1.00 0.00 C ATOM 963 CE1 TYR A 68 3.929 -0.361 10.077 1.00 0.00 C ATOM 964 CE2 TYR A 68 2.761 1.442 9.029 1.00 0.00 C ATOM 965 CZ TYR A 68 3.852 0.932 9.659 1.00 0.00 C ATOM 966 OH TYR A 68 4.915 1.750 9.880 1.00 0.00 O ATOM 0 H TYR A 68 -1.593 -2.835 8.817 1.00 0.00 H new ATOM 0 HA TYR A 68 0.346 -2.901 10.762 1.00 0.00 H new ATOM 0 HB2 TYR A 68 0.822 -2.536 8.399 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -0.238 -1.142 8.328 1.00 0.00 H new ATOM 0 HD1 TYR A 68 2.838 -2.257 10.165 1.00 0.00 H new ATOM 0 HD2 TYR A 68 0.755 0.955 8.295 1.00 0.00 H new ATOM 0 HE1 TYR A 68 4.815 -0.729 10.573 1.00 0.00 H new ATOM 0 HE2 TYR A 68 2.739 2.474 8.712 1.00 0.00 H new ATOM 0 HH TYR A 68 4.600 2.669 10.007 1.00 0.00 H new ATOM 976 N SER A 69 -0.408 -1.250 12.469 1.00 0.00 N ATOM 977 CA SER A 69 -0.554 -0.220 13.483 1.00 0.00 C ATOM 978 C SER A 69 0.822 0.301 13.901 1.00 0.00 C ATOM 979 O SER A 69 0.990 1.496 14.140 1.00 0.00 O ATOM 980 CB SER A 69 -1.314 -0.750 14.701 1.00 0.00 C ATOM 981 OG SER A 69 -0.754 -1.964 15.192 1.00 0.00 O ATOM 0 H SER A 69 -0.335 -2.200 12.834 1.00 0.00 H new ATOM 0 HA SER A 69 -1.132 0.600 13.057 1.00 0.00 H new ATOM 0 HB2 SER A 69 -1.301 0.001 15.491 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.358 -0.914 14.434 1.00 0.00 H new ATOM 0 HG SER A 69 -1.266 -2.269 15.970 1.00 0.00 H new ATOM 987 N GLY A 70 1.770 -0.620 13.978 1.00 0.00 N ATOM 988 CA GLY A 70 3.127 -0.268 14.363 1.00 0.00 C ATOM 989 C GLY A 70 3.932 0.215 13.156 1.00 0.00 C ATOM 990 O GLY A 70 3.371 0.770 12.212 1.00 0.00 O ATOM 0 H GLY A 70 1.626 -1.610 13.780 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.102 0.512 15.124 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.618 -1.133 14.809 1.00 0.00 H new ATOM 994 N GLY A 71 5.236 -0.013 13.224 1.00 0.00 N ATOM 995 CA GLY A 71 6.124 0.391 12.148 1.00 0.00 C ATOM 996 C GLY A 71 6.940 -0.796 11.634 1.00 0.00 C ATOM 997 O GLY A 71 8.029 -0.618 11.093 1.00 0.00 O ATOM 0 H GLY A 71 5.698 -0.473 14.008 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.541 0.817 11.331 1.00 0.00 H new ATOM 0 HA3 GLY A 71 6.796 1.173 12.501 1.00 0.00 H new ATOM 1001 N SER A 72 6.381 -1.983 11.823 1.00 0.00 N ATOM 1002 CA SER A 72 7.043 -3.200 11.386 1.00 0.00 C ATOM 1003 C SER A 72 6.108 -4.010 10.485 1.00 0.00 C ATOM 1004 O SER A 72 5.676 -5.100 10.854 1.00 0.00 O ATOM 1005 CB SER A 72 7.491 -4.043 12.581 1.00 0.00 C ATOM 1006 OG SER A 72 6.454 -4.195 13.545 1.00 0.00 O ATOM 0 H SER A 72 5.477 -2.127 12.273 1.00 0.00 H new ATOM 0 HA SER A 72 7.932 -2.921 10.819 1.00 0.00 H new ATOM 0 HB2 SER A 72 7.809 -5.026 12.233 1.00 0.00 H new ATOM 0 HB3 SER A 72 8.357 -3.576 13.050 1.00 0.00 H new ATOM 0 HG SER A 72 5.667 -4.594 13.119 1.00 0.00 H new ATOM 1012 N PRO A 73 5.815 -3.429 9.291 1.00 0.00 N ATOM 1013 CA PRO A 73 4.940 -4.085 8.334 1.00 0.00 C ATOM 1014 C PRO A 73 5.658 -5.241 7.636 1.00 0.00 C ATOM 1015 O PRO A 73 5.652 -6.369 8.129 1.00 0.00 O ATOM 1016 CB PRO A 73 4.511 -2.986 7.376 1.00 0.00 C ATOM 1017 CG PRO A 73 5.522 -1.864 7.549 1.00 0.00 C ATOM 1018 CD PRO A 73 6.310 -2.138 8.819 1.00 0.00 C ATOM 0 HA PRO A 73 4.072 -4.546 8.805 1.00 0.00 H new ATOM 0 HB2 PRO A 73 4.500 -3.347 6.347 1.00 0.00 H new ATOM 0 HB3 PRO A 73 3.502 -2.641 7.604 1.00 0.00 H new ATOM 0 HG2 PRO A 73 6.189 -1.816 6.689 1.00 0.00 H new ATOM 0 HG3 PRO A 73 5.016 -0.901 7.614 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.381 -2.173 8.621 1.00 0.00 H new ATOM 0 HD3 PRO A 73 6.149 -1.356 9.562 1.00 0.00 H new ATOM 1026 N GLY A 74 6.259 -4.923 6.500 1.00 0.00 N ATOM 1027 CA GLY A 74 6.981 -5.921 5.728 1.00 0.00 C ATOM 1028 C GLY A 74 7.113 -5.493 4.266 1.00 0.00 C ATOM 1029 O GLY A 74 6.476 -4.533 3.836 1.00 0.00 O ATOM 0 H GLY A 74 6.261 -3.987 6.094 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.971 -6.071 6.157 1.00 0.00 H new ATOM 0 HA3 GLY A 74 6.460 -6.877 5.785 1.00 0.00 H new ATOM 1033 N ALA A 75 7.946 -6.227 3.541 1.00 0.00 N ATOM 1034 CA ALA A 75 8.171 -5.935 2.135 1.00 0.00 C ATOM 1035 C ALA A 75 6.830 -5.641 1.460 1.00 0.00 C ATOM 1036 O ALA A 75 6.709 -4.675 0.708 1.00 0.00 O ATOM 1037 CB ALA A 75 8.908 -7.106 1.483 1.00 0.00 C ATOM 0 H ALA A 75 8.473 -7.023 3.901 1.00 0.00 H new ATOM 0 HA ALA A 75 8.798 -5.051 2.021 1.00 0.00 H new ATOM 0 HB1 ALA A 75 9.077 -6.888 0.429 1.00 0.00 H new ATOM 0 HB2 ALA A 75 9.866 -7.255 1.981 1.00 0.00 H new ATOM 0 HB3 ALA A 75 8.307 -8.011 1.574 1.00 0.00 H new ATOM 1043 N ASP A 76 5.857 -6.491 1.751 1.00 0.00 N ATOM 1044 CA ASP A 76 4.530 -6.334 1.181 1.00 0.00 C ATOM 1045 C ASP A 76 3.954 -4.981 1.603 1.00 0.00 C ATOM 1046 O ASP A 76 3.932 -4.655 2.789 1.00 0.00 O ATOM 1047 CB ASP A 76 3.583 -7.428 1.680 1.00 0.00 C ATOM 1048 CG ASP A 76 4.135 -8.851 1.592 1.00 0.00 C ATOM 1049 OD1 ASP A 76 4.857 -9.120 0.608 1.00 0.00 O ATOM 1050 OD2 ASP A 76 3.823 -9.640 2.511 1.00 0.00 O ATOM 0 H ASP A 76 5.961 -7.291 2.375 1.00 0.00 H new ATOM 0 HA ASP A 76 4.619 -6.401 0.097 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.325 -7.218 2.718 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.658 -7.377 1.105 1.00 0.00 H new ATOM 1055 N ARG A 77 3.504 -4.230 0.609 1.00 0.00 N ATOM 1056 CA ARG A 77 2.930 -2.919 0.863 1.00 0.00 C ATOM 1057 C ARG A 77 1.826 -2.618 -0.152 1.00 0.00 C ATOM 1058 O ARG A 77 1.868 -3.102 -1.282 1.00 0.00 O ATOM 1059 CB ARG A 77 3.998 -1.826 0.784 1.00 0.00 C ATOM 1060 CG ARG A 77 5.174 -2.140 1.711 1.00 0.00 C ATOM 1061 CD ARG A 77 5.064 -1.357 3.021 1.00 0.00 C ATOM 1062 NE ARG A 77 6.372 -0.753 3.361 1.00 0.00 N ATOM 1063 CZ ARG A 77 7.227 -1.267 4.255 1.00 0.00 C ATOM 1064 NH1 ARG A 77 6.917 -2.397 4.906 1.00 0.00 N ATOM 1065 NH2 ARG A 77 8.392 -0.652 4.501 1.00 0.00 N ATOM 0 H ARG A 77 3.525 -4.504 -0.373 1.00 0.00 H new ATOM 0 HA ARG A 77 2.511 -2.929 1.869 1.00 0.00 H new ATOM 0 HB2 ARG A 77 4.354 -1.734 -0.242 1.00 0.00 H new ATOM 0 HB3 ARG A 77 3.561 -0.865 1.057 1.00 0.00 H new ATOM 0 HG2 ARG A 77 5.199 -3.209 1.923 1.00 0.00 H new ATOM 0 HG3 ARG A 77 6.111 -1.892 1.212 1.00 0.00 H new ATOM 0 HD2 ARG A 77 4.308 -0.578 2.926 1.00 0.00 H new ATOM 0 HD3 ARG A 77 4.740 -2.019 3.824 1.00 0.00 H new ATOM 0 HE ARG A 77 6.639 0.109 2.885 1.00 0.00 H new ATOM 0 HH11 ARG A 77 6.030 -2.865 4.721 1.00 0.00 H new ATOM 0 HH12 ARG A 77 7.568 -2.788 5.587 1.00 0.00 H new ATOM 0 HH21 ARG A 77 8.629 0.209 4.007 1.00 0.00 H new ATOM 0 HH22 ARG A 77 9.042 -1.045 5.182 1.00 0.00 H new ATOM 1079 N VAL A 78 0.865 -1.819 0.287 1.00 0.00 N ATOM 1080 CA VAL A 78 -0.249 -1.447 -0.569 1.00 0.00 C ATOM 1081 C VAL A 78 -0.240 0.068 -0.781 1.00 0.00 C ATOM 1082 O VAL A 78 0.055 0.826 0.143 1.00 0.00 O ATOM 1083 CB VAL A 78 -1.562 -1.960 0.027 1.00 0.00 C ATOM 1084 CG1 VAL A 78 -1.528 -1.904 1.556 1.00 0.00 C ATOM 1085 CG2 VAL A 78 -2.756 -1.179 -0.524 1.00 0.00 C ATOM 0 H VAL A 78 0.834 -1.419 1.225 1.00 0.00 H new ATOM 0 HA VAL A 78 -0.149 -1.913 -1.549 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.680 -3.003 -0.268 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -2.473 -2.274 1.955 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.711 -2.524 1.925 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.376 -0.874 1.879 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.676 -1.563 -0.084 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -2.647 -0.124 -0.273 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.796 -1.292 -1.607 1.00 0.00 H new ATOM 1095 N VAL A 79 -0.565 0.464 -2.002 1.00 0.00 N ATOM 1096 CA VAL A 79 -0.598 1.876 -2.347 1.00 0.00 C ATOM 1097 C VAL A 79 -1.970 2.222 -2.931 1.00 0.00 C ATOM 1098 O VAL A 79 -2.453 1.542 -3.835 1.00 0.00 O ATOM 1099 CB VAL A 79 0.556 2.209 -3.295 1.00 0.00 C ATOM 1100 CG1 VAL A 79 0.451 3.651 -3.799 1.00 0.00 C ATOM 1101 CG2 VAL A 79 1.907 1.961 -2.621 1.00 0.00 C ATOM 0 H VAL A 79 -0.808 -0.167 -2.765 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.459 2.490 -1.457 1.00 0.00 H new ATOM 0 HB VAL A 79 0.485 1.546 -4.157 1.00 0.00 H new ATOM 0 HG11 VAL A 79 1.283 3.863 -4.471 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.490 3.782 -4.333 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.485 4.336 -2.952 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.711 2.205 -3.316 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.991 2.588 -1.734 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.983 0.913 -2.333 1.00 0.00 H new ATOM 1111 N PHE A 80 -2.558 3.278 -2.390 1.00 0.00 N ATOM 1112 CA PHE A 80 -3.864 3.722 -2.846 1.00 0.00 C ATOM 1113 C PHE A 80 -3.876 5.234 -3.089 1.00 0.00 C ATOM 1114 O PHE A 80 -2.821 5.849 -3.243 1.00 0.00 O ATOM 1115 CB PHE A 80 -4.862 3.389 -1.735 1.00 0.00 C ATOM 1116 CG PHE A 80 -4.597 4.124 -0.419 1.00 0.00 C ATOM 1117 CD1 PHE A 80 -3.455 3.879 0.278 1.00 0.00 C ATOM 1118 CD2 PHE A 80 -5.504 5.020 0.053 1.00 0.00 C ATOM 1119 CE1 PHE A 80 -3.210 4.561 1.499 1.00 0.00 C ATOM 1120 CE2 PHE A 80 -5.258 5.702 1.275 1.00 0.00 C ATOM 1121 CZ PHE A 80 -4.116 5.458 1.972 1.00 0.00 C ATOM 0 H PHE A 80 -2.154 3.839 -1.640 1.00 0.00 H new ATOM 0 HA PHE A 80 -4.118 3.228 -3.784 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -5.867 3.632 -2.079 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -4.839 2.315 -1.550 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -2.735 3.166 -0.097 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -6.411 5.213 -0.501 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -2.303 4.367 2.053 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -5.978 6.414 1.650 1.00 0.00 H new ATOM 0 HZ PHE A 80 -3.929 5.976 2.901 1.00 0.00 H new ATOM 1131 N ASN A 81 -5.079 5.788 -3.116 1.00 0.00 N ATOM 1132 CA ASN A 81 -5.241 7.214 -3.337 1.00 0.00 C ATOM 1133 C ASN A 81 -6.493 7.701 -2.603 1.00 0.00 C ATOM 1134 O ASN A 81 -6.599 7.557 -1.387 1.00 0.00 O ATOM 1135 CB ASN A 81 -5.414 7.524 -4.825 1.00 0.00 C ATOM 1136 CG ASN A 81 -6.892 7.509 -5.220 1.00 0.00 C ATOM 1137 OD1 ASN A 81 -7.618 6.607 -4.565 1.00 0.00 O flip ATOM 1138 ND2 ASN A 81 -7.345 8.266 -6.062 1.00 0.00 N flip ATOM 0 H ASN A 81 -5.951 5.274 -2.988 1.00 0.00 H new ATOM 0 HA ASN A 81 -4.348 7.717 -2.965 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -4.984 8.500 -5.049 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.868 6.791 -5.419 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -6.733 8.936 -6.528 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -8.336 8.230 -6.300 1.00 0.00 H new ATOM 1145 N GLU A 82 -7.409 8.267 -3.375 1.00 0.00 N ATOM 1146 CA GLU A 82 -8.649 8.776 -2.815 1.00 0.00 C ATOM 1147 C GLU A 82 -9.087 7.915 -1.627 1.00 0.00 C ATOM 1148 O GLU A 82 -8.630 8.122 -0.504 1.00 0.00 O ATOM 1149 CB GLU A 82 -9.746 8.841 -3.879 1.00 0.00 C ATOM 1150 CG GLU A 82 -11.056 9.360 -3.283 1.00 0.00 C ATOM 1151 CD GLU A 82 -12.221 9.149 -4.254 1.00 0.00 C ATOM 1152 OE1 GLU A 82 -12.129 8.191 -5.050 1.00 0.00 O ATOM 1153 OE2 GLU A 82 -13.176 9.952 -4.177 1.00 0.00 O ATOM 0 H GLU A 82 -7.317 8.384 -4.384 1.00 0.00 H new ATOM 0 HA GLU A 82 -8.474 9.791 -2.459 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -9.430 9.492 -4.694 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -9.903 7.850 -4.306 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -11.262 8.845 -2.345 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -10.959 10.420 -3.050 1.00 0.00 H new ATOM 1160 N ASN A 83 -9.966 6.967 -1.918 1.00 0.00 N ATOM 1161 CA ASN A 83 -10.470 6.075 -0.888 1.00 0.00 C ATOM 1162 C ASN A 83 -11.014 4.803 -1.543 1.00 0.00 C ATOM 1163 O ASN A 83 -12.210 4.699 -1.807 1.00 0.00 O ATOM 1164 CB ASN A 83 -11.611 6.727 -0.104 1.00 0.00 C ATOM 1165 CG ASN A 83 -12.515 7.545 -1.029 1.00 0.00 C ATOM 1166 OD1 ASN A 83 -12.608 7.058 -2.264 1.00 0.00 O flip ATOM 1167 ND2 ASN A 83 -13.089 8.552 -0.647 1.00 0.00 N flip ATOM 0 H ASN A 83 -10.341 6.798 -2.851 1.00 0.00 H new ATOM 0 HA ASN A 83 -9.649 5.847 -0.208 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -12.198 5.958 0.397 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -11.201 7.372 0.673 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -12.974 8.871 0.315 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -13.684 9.075 -1.290 1.00 0.00 H new ATOM 1174 N ASN A 84 -10.107 3.868 -1.787 1.00 0.00 N ATOM 1175 CA ASN A 84 -10.480 2.607 -2.406 1.00 0.00 C ATOM 1176 C ASN A 84 -9.876 2.536 -3.810 1.00 0.00 C ATOM 1177 O ASN A 84 -10.304 1.728 -4.633 1.00 0.00 O ATOM 1178 CB ASN A 84 -11.999 2.487 -2.538 1.00 0.00 C ATOM 1179 CG ASN A 84 -12.502 3.220 -3.783 1.00 0.00 C ATOM 1180 OD1 ASN A 84 -11.983 3.065 -4.877 1.00 0.00 O ATOM 1181 ND2 ASN A 84 -13.537 4.024 -3.557 1.00 0.00 N ATOM 0 H ASN A 84 -9.115 3.958 -1.567 1.00 0.00 H new ATOM 0 HA ASN A 84 -10.108 1.798 -1.777 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -12.281 1.435 -2.592 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -12.478 2.900 -1.650 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -13.945 4.558 -4.324 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -13.923 4.107 -2.616 1.00 0.00 H new ATOM 1188 N GLN A 85 -8.892 3.392 -4.040 1.00 0.00 N ATOM 1189 CA GLN A 85 -8.226 3.436 -5.332 1.00 0.00 C ATOM 1190 C GLN A 85 -6.800 2.892 -5.211 1.00 0.00 C ATOM 1191 O GLN A 85 -5.854 3.509 -5.697 1.00 0.00 O ATOM 1192 CB GLN A 85 -8.224 4.857 -5.899 1.00 0.00 C ATOM 1193 CG GLN A 85 -9.408 5.663 -5.362 1.00 0.00 C ATOM 1194 CD GLN A 85 -10.718 5.216 -6.015 1.00 0.00 C ATOM 1195 OE1 GLN A 85 -11.784 5.346 -5.232 1.00 0.00 O flip ATOM 1196 NE2 GLN A 85 -10.757 4.781 -7.154 1.00 0.00 N flip ATOM 0 H GLN A 85 -8.539 4.060 -3.355 1.00 0.00 H new ATOM 0 HA GLN A 85 -8.779 2.804 -6.027 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -7.291 5.356 -5.637 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.270 4.818 -6.987 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -9.476 5.540 -4.281 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -9.246 6.724 -5.552 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -9.900 4.707 -7.701 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -11.647 4.491 -7.559 1.00 0.00 H new ATOM 1205 N LEU A 86 -6.693 1.742 -4.562 1.00 0.00 N ATOM 1206 CA LEU A 86 -5.400 1.108 -4.373 1.00 0.00 C ATOM 1207 C LEU A 86 -4.561 1.280 -5.641 1.00 0.00 C ATOM 1208 O LEU A 86 -5.055 1.077 -6.748 1.00 0.00 O ATOM 1209 CB LEU A 86 -5.576 -0.351 -3.945 1.00 0.00 C ATOM 1210 CG LEU A 86 -4.959 -1.400 -4.872 1.00 0.00 C ATOM 1211 CD1 LEU A 86 -5.081 -2.802 -4.273 1.00 0.00 C ATOM 1212 CD2 LEU A 86 -5.569 -1.320 -6.273 1.00 0.00 C ATOM 0 H LEU A 86 -7.481 1.233 -4.161 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.854 1.591 -3.562 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.143 -0.473 -2.952 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.643 -0.557 -3.855 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.895 -1.184 -4.971 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -4.635 -3.528 -4.952 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.562 -2.835 -3.315 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -6.133 -3.044 -4.124 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.113 -2.076 -6.912 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.643 -1.495 -6.213 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.386 -0.331 -6.694 1.00 0.00 H new ATOM 1224 N ALA A 87 -3.307 1.655 -5.436 1.00 0.00 N ATOM 1225 CA ALA A 87 -2.394 1.858 -6.548 1.00 0.00 C ATOM 1226 C ALA A 87 -1.992 0.499 -7.126 1.00 0.00 C ATOM 1227 O ALA A 87 -1.977 0.317 -8.342 1.00 0.00 O ATOM 1228 CB ALA A 87 -1.187 2.672 -6.078 1.00 0.00 C ATOM 0 H ALA A 87 -2.901 1.824 -4.515 1.00 0.00 H new ATOM 0 HA ALA A 87 -2.878 2.425 -7.343 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.503 2.824 -6.913 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -1.524 3.639 -5.704 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -0.673 2.134 -5.281 1.00 0.00 H new ATOM 1234 N GLY A 88 -1.676 -0.421 -6.226 1.00 0.00 N ATOM 1235 CA GLY A 88 -1.275 -1.758 -6.632 1.00 0.00 C ATOM 1236 C GLY A 88 -0.821 -2.583 -5.426 1.00 0.00 C ATOM 1237 O GLY A 88 -1.494 -2.606 -4.396 1.00 0.00 O ATOM 0 H GLY A 88 -1.689 -0.267 -5.218 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -2.108 -2.257 -7.126 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -0.465 -1.694 -7.359 1.00 0.00 H new ATOM 1241 N VAL A 89 0.317 -3.240 -5.593 1.00 0.00 N ATOM 1242 CA VAL A 89 0.869 -4.064 -4.531 1.00 0.00 C ATOM 1243 C VAL A 89 2.393 -4.094 -4.654 1.00 0.00 C ATOM 1244 O VAL A 89 2.948 -4.965 -5.323 1.00 0.00 O ATOM 1245 CB VAL A 89 0.238 -5.458 -4.569 1.00 0.00 C ATOM 1246 CG1 VAL A 89 0.929 -6.400 -3.582 1.00 0.00 C ATOM 1247 CG2 VAL A 89 -1.267 -5.387 -4.297 1.00 0.00 C ATOM 0 H VAL A 89 0.872 -3.219 -6.448 1.00 0.00 H new ATOM 0 HA VAL A 89 0.630 -3.640 -3.556 1.00 0.00 H new ATOM 0 HB VAL A 89 0.379 -5.862 -5.572 1.00 0.00 H new ATOM 0 HG11 VAL A 89 0.461 -7.383 -3.629 1.00 0.00 H new ATOM 0 HG12 VAL A 89 1.984 -6.487 -3.840 1.00 0.00 H new ATOM 0 HG13 VAL A 89 0.835 -6.002 -2.572 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.690 -6.391 -4.330 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.439 -4.953 -3.312 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -1.745 -4.767 -5.055 1.00 0.00 H new ATOM 1257 N ILE A 90 3.027 -3.133 -3.999 1.00 0.00 N ATOM 1258 CA ILE A 90 4.477 -3.039 -4.027 1.00 0.00 C ATOM 1259 C ILE A 90 5.064 -3.974 -2.968 1.00 0.00 C ATOM 1260 O ILE A 90 4.351 -4.439 -2.080 1.00 0.00 O ATOM 1261 CB ILE A 90 4.922 -1.583 -3.877 1.00 0.00 C ATOM 1262 CG1 ILE A 90 4.633 -1.064 -2.467 1.00 0.00 C ATOM 1263 CG2 ILE A 90 4.285 -0.701 -4.954 1.00 0.00 C ATOM 1264 CD1 ILE A 90 4.442 0.455 -2.470 1.00 0.00 C ATOM 0 H ILE A 90 2.563 -2.412 -3.446 1.00 0.00 H new ATOM 0 HA ILE A 90 4.862 -3.368 -4.992 1.00 0.00 H new ATOM 0 HB ILE A 90 6.001 -1.539 -4.022 1.00 0.00 H new ATOM 0 HG12 ILE A 90 3.737 -1.546 -2.075 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.455 -1.329 -1.802 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.618 0.329 -4.825 1.00 0.00 H new ATOM 0 HG22 ILE A 90 4.583 -1.058 -5.940 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.200 -0.745 -4.865 1.00 0.00 H new ATOM 0 HD11 ILE A 90 4.238 0.798 -1.456 1.00 0.00 H new ATOM 0 HD12 ILE A 90 5.348 0.935 -2.840 1.00 0.00 H new ATOM 0 HD13 ILE A 90 3.604 0.715 -3.116 1.00 0.00 H new ATOM 1276 N THR A 91 6.360 -4.222 -3.098 1.00 0.00 N ATOM 1277 CA THR A 91 7.052 -5.093 -2.163 1.00 0.00 C ATOM 1278 C THR A 91 8.564 -4.878 -2.252 1.00 0.00 C ATOM 1279 O THR A 91 9.076 -4.474 -3.296 1.00 0.00 O ATOM 1280 CB THR A 91 6.625 -6.533 -2.455 1.00 0.00 C ATOM 1281 OG1 THR A 91 7.713 -7.321 -1.978 1.00 0.00 O ATOM 1282 CG2 THR A 91 6.574 -6.838 -3.954 1.00 0.00 C ATOM 0 H THR A 91 6.948 -3.835 -3.836 1.00 0.00 H new ATOM 0 HA THR A 91 6.783 -4.861 -1.133 1.00 0.00 H new ATOM 0 HB THR A 91 5.645 -6.717 -2.014 1.00 0.00 H new ATOM 0 HG1 THR A 91 7.519 -8.270 -2.126 1.00 0.00 H new ATOM 0 HG21 THR A 91 6.266 -7.873 -4.105 1.00 0.00 H new ATOM 0 HG22 THR A 91 5.859 -6.172 -4.437 1.00 0.00 H new ATOM 0 HG23 THR A 91 7.562 -6.687 -4.390 1.00 0.00 H new ATOM 1290 N HIS A 92 9.236 -5.156 -1.145 1.00 0.00 N ATOM 1291 CA HIS A 92 10.679 -4.998 -1.084 1.00 0.00 C ATOM 1292 C HIS A 92 11.353 -6.170 -1.801 1.00 0.00 C ATOM 1293 O HIS A 92 12.525 -6.457 -1.559 1.00 0.00 O ATOM 1294 CB HIS A 92 11.147 -4.838 0.363 1.00 0.00 C ATOM 1295 CG HIS A 92 10.971 -3.444 0.915 1.00 0.00 C ATOM 1296 ND1 HIS A 92 11.861 -2.872 1.807 1.00 0.00 N ATOM 1297 CD2 HIS A 92 9.998 -2.514 0.692 1.00 0.00 C ATOM 1298 CE1 HIS A 92 11.433 -1.653 2.102 1.00 0.00 C ATOM 1299 NE2 HIS A 92 10.278 -1.433 1.411 1.00 0.00 N ATOM 0 H HIS A 92 8.807 -5.490 -0.282 1.00 0.00 H new ATOM 0 HA HIS A 92 10.972 -4.084 -1.601 1.00 0.00 H new ATOM 0 HB2 HIS A 92 10.597 -5.539 0.991 1.00 0.00 H new ATOM 0 HB3 HIS A 92 12.200 -5.112 0.426 1.00 0.00 H new ATOM 0 HD2 HIS A 92 9.145 -2.636 0.041 1.00 0.00 H new ATOM 0 HE1 HIS A 92 11.914 -0.956 2.772 1.00 0.00 H new ATOM 0 HE2 HIS A 92 9.721 -0.579 1.441 1.00 0.00 H new ATOM 1308 N THR A 93 10.586 -6.813 -2.668 1.00 0.00 N ATOM 1309 CA THR A 93 11.095 -7.947 -3.421 1.00 0.00 C ATOM 1310 C THR A 93 12.048 -7.472 -4.520 1.00 0.00 C ATOM 1311 O THR A 93 11.660 -6.695 -5.391 1.00 0.00 O ATOM 1312 CB THR A 93 9.899 -8.736 -3.954 1.00 0.00 C ATOM 1313 OG1 THR A 93 9.658 -9.721 -2.952 1.00 0.00 O ATOM 1314 CG2 THR A 93 10.243 -9.551 -5.202 1.00 0.00 C ATOM 0 H THR A 93 9.615 -6.571 -2.866 1.00 0.00 H new ATOM 0 HA THR A 93 11.684 -8.610 -2.787 1.00 0.00 H new ATOM 0 HB THR A 93 9.085 -8.049 -4.183 1.00 0.00 H new ATOM 0 HG1 THR A 93 8.896 -10.277 -3.217 1.00 0.00 H new ATOM 0 HG21 THR A 93 9.358 -10.092 -5.539 1.00 0.00 H new ATOM 0 HG22 THR A 93 10.581 -8.881 -5.992 1.00 0.00 H new ATOM 0 HG23 THR A 93 11.035 -10.262 -4.966 1.00 0.00 H new ATOM 1322 N GLY A 94 13.278 -7.960 -4.444 1.00 0.00 N ATOM 1323 CA GLY A 94 14.289 -7.596 -5.420 1.00 0.00 C ATOM 1324 C GLY A 94 14.065 -6.174 -5.938 1.00 0.00 C ATOM 1325 O GLY A 94 14.182 -5.919 -7.137 1.00 0.00 O ATOM 0 H GLY A 94 13.596 -8.605 -3.721 1.00 0.00 H new ATOM 0 HA2 GLY A 94 15.278 -7.671 -4.969 1.00 0.00 H new ATOM 0 HA3 GLY A 94 14.265 -8.298 -6.253 1.00 0.00 H new ATOM 1329 N ALA A 95 13.745 -5.284 -5.010 1.00 0.00 N ATOM 1330 CA ALA A 95 13.502 -3.894 -5.358 1.00 0.00 C ATOM 1331 C ALA A 95 14.837 -3.206 -5.654 1.00 0.00 C ATOM 1332 O ALA A 95 14.873 -2.174 -6.322 1.00 0.00 O ATOM 1333 CB ALA A 95 12.732 -3.211 -4.226 1.00 0.00 C ATOM 0 H ALA A 95 13.648 -5.498 -4.017 1.00 0.00 H new ATOM 0 HA ALA A 95 12.889 -3.825 -6.257 1.00 0.00 H new ATOM 0 HB1 ALA A 95 12.550 -2.169 -4.487 1.00 0.00 H new ATOM 0 HB2 ALA A 95 11.780 -3.719 -4.076 1.00 0.00 H new ATOM 0 HB3 ALA A 95 13.317 -3.258 -3.308 1.00 0.00 H new ATOM 1339 N SER A 96 15.901 -3.806 -5.141 1.00 0.00 N ATOM 1340 CA SER A 96 17.235 -3.264 -5.341 1.00 0.00 C ATOM 1341 C SER A 96 17.516 -2.172 -4.308 1.00 0.00 C ATOM 1342 O SER A 96 18.021 -1.103 -4.649 1.00 0.00 O ATOM 1343 CB SER A 96 17.397 -2.709 -6.757 1.00 0.00 C ATOM 1344 OG SER A 96 18.765 -2.631 -7.148 1.00 0.00 O ATOM 0 H SER A 96 15.867 -4.662 -4.587 1.00 0.00 H new ATOM 0 HA SER A 96 17.955 -4.072 -5.212 1.00 0.00 H new ATOM 0 HB2 SER A 96 16.855 -3.343 -7.459 1.00 0.00 H new ATOM 0 HB3 SER A 96 16.948 -1.717 -6.811 1.00 0.00 H new ATOM 0 HG SER A 96 18.825 -2.273 -8.058 1.00 0.00 H new ATOM 1350 N GLY A 97 17.177 -2.478 -3.063 1.00 0.00 N ATOM 1351 CA GLY A 97 17.387 -1.535 -1.977 1.00 0.00 C ATOM 1352 C GLY A 97 16.102 -1.331 -1.172 1.00 0.00 C ATOM 1353 O GLY A 97 15.418 -2.295 -0.834 1.00 0.00 O ATOM 0 H GLY A 97 16.759 -3.365 -2.783 1.00 0.00 H new ATOM 0 HA2 GLY A 97 18.177 -1.900 -1.321 1.00 0.00 H new ATOM 0 HA3 GLY A 97 17.723 -0.580 -2.380 1.00 0.00 H new ATOM 1357 N ASN A 98 15.814 -0.070 -0.889 1.00 0.00 N ATOM 1358 CA ASN A 98 14.623 0.274 -0.130 1.00 0.00 C ATOM 1359 C ASN A 98 13.495 0.640 -1.097 1.00 0.00 C ATOM 1360 O ASN A 98 12.415 1.045 -0.671 1.00 0.00 O ATOM 1361 CB ASN A 98 14.877 1.479 0.777 1.00 0.00 C ATOM 1362 CG ASN A 98 13.586 1.929 1.464 1.00 0.00 C ATOM 1363 OD1 ASN A 98 12.748 0.936 1.744 1.00 0.00 O flip ATOM 1364 ND2 ASN A 98 13.366 3.101 1.722 1.00 0.00 N flip ATOM 0 H ASN A 98 16.385 0.727 -1.171 1.00 0.00 H new ATOM 0 HA ASN A 98 14.353 -0.587 0.481 1.00 0.00 H new ATOM 0 HB2 ASN A 98 15.623 1.222 1.529 1.00 0.00 H new ATOM 0 HB3 ASN A 98 15.286 2.301 0.190 1.00 0.00 H new ATOM 0 HD21 ASN A 98 14.053 3.814 1.479 1.00 0.00 H new ATOM 0 HD22 ASN A 98 12.495 3.367 2.180 1.00 0.00 H new ATOM 1371 N ASN A 99 13.785 0.481 -2.380 1.00 0.00 N ATOM 1372 CA ASN A 99 12.808 0.790 -3.412 1.00 0.00 C ATOM 1373 C ASN A 99 11.624 -0.172 -3.290 1.00 0.00 C ATOM 1374 O ASN A 99 11.590 -1.010 -2.391 1.00 0.00 O ATOM 1375 CB ASN A 99 13.410 0.624 -4.808 1.00 0.00 C ATOM 1376 CG ASN A 99 14.727 -0.152 -4.749 1.00 0.00 C ATOM 1377 OD1 ASN A 99 14.702 -1.198 -3.928 1.00 0.00 O flip ATOM 1378 ND2 ASN A 99 15.702 0.178 -5.404 1.00 0.00 N flip ATOM 0 H ASN A 99 14.682 0.143 -2.729 1.00 0.00 H new ATOM 0 HA ASN A 99 12.490 1.824 -3.278 1.00 0.00 H new ATOM 0 HB2 ASN A 99 12.704 0.100 -5.452 1.00 0.00 H new ATOM 0 HB3 ASN A 99 13.581 1.604 -5.253 1.00 0.00 H new ATOM 0 HD21 ASN A 99 15.653 0.993 -6.016 1.00 0.00 H new ATOM 0 HD22 ASN A 99 16.566 -0.361 -5.340 1.00 0.00 H new ATOM 1385 N PHE A 100 10.682 -0.019 -4.209 1.00 0.00 N ATOM 1386 CA PHE A 100 9.500 -0.864 -4.217 1.00 0.00 C ATOM 1387 C PHE A 100 9.215 -1.397 -5.623 1.00 0.00 C ATOM 1388 O PHE A 100 9.795 -0.924 -6.599 1.00 0.00 O ATOM 1389 CB PHE A 100 8.325 0.007 -3.768 1.00 0.00 C ATOM 1390 CG PHE A 100 8.213 0.166 -2.250 1.00 0.00 C ATOM 1391 CD1 PHE A 100 7.949 -0.917 -1.470 1.00 0.00 C ATOM 1392 CD2 PHE A 100 8.378 1.389 -1.680 1.00 0.00 C ATOM 1393 CE1 PHE A 100 7.846 -0.770 -0.061 1.00 0.00 C ATOM 1394 CE2 PHE A 100 8.275 1.537 -0.272 1.00 0.00 C ATOM 1395 CZ PHE A 100 8.011 0.455 0.509 1.00 0.00 C ATOM 0 H PHE A 100 10.713 0.678 -4.953 1.00 0.00 H new ATOM 0 HA PHE A 100 9.650 -1.719 -3.557 1.00 0.00 H new ATOM 0 HB2 PHE A 100 8.424 0.994 -4.220 1.00 0.00 H new ATOM 0 HB3 PHE A 100 7.399 -0.426 -4.147 1.00 0.00 H new ATOM 0 HD1 PHE A 100 7.818 -1.889 -1.922 1.00 0.00 H new ATOM 0 HD2 PHE A 100 8.588 2.249 -2.299 1.00 0.00 H new ATOM 0 HE1 PHE A 100 7.637 -1.630 0.558 1.00 0.00 H new ATOM 0 HE2 PHE A 100 8.406 2.509 0.179 1.00 0.00 H new ATOM 0 HZ PHE A 100 7.932 0.568 1.580 1.00 0.00 H new ATOM 1405 N VAL A 101 8.322 -2.373 -5.681 1.00 0.00 N ATOM 1406 CA VAL A 101 7.954 -2.975 -6.952 1.00 0.00 C ATOM 1407 C VAL A 101 6.630 -3.727 -6.790 1.00 0.00 C ATOM 1408 O VAL A 101 6.440 -4.454 -5.818 1.00 0.00 O ATOM 1409 CB VAL A 101 9.089 -3.867 -7.456 1.00 0.00 C ATOM 1410 CG1 VAL A 101 10.352 -3.046 -7.728 1.00 0.00 C ATOM 1411 CG2 VAL A 101 9.375 -5.002 -6.472 1.00 0.00 C ATOM 0 H VAL A 101 7.842 -2.762 -4.869 1.00 0.00 H new ATOM 0 HA VAL A 101 7.802 -2.206 -7.709 1.00 0.00 H new ATOM 0 HB VAL A 101 8.770 -4.314 -8.398 1.00 0.00 H new ATOM 0 HG11 VAL A 101 11.144 -3.704 -8.085 1.00 0.00 H new ATOM 0 HG12 VAL A 101 10.139 -2.291 -8.484 1.00 0.00 H new ATOM 0 HG13 VAL A 101 10.674 -2.558 -6.808 1.00 0.00 H new ATOM 0 HG21 VAL A 101 10.186 -5.620 -6.856 1.00 0.00 H new ATOM 0 HG22 VAL A 101 9.663 -4.584 -5.508 1.00 0.00 H new ATOM 0 HG23 VAL A 101 8.480 -5.612 -6.350 1.00 0.00 H new ATOM 1421 N GLU A 102 5.749 -3.523 -7.759 1.00 0.00 N ATOM 1422 CA GLU A 102 4.449 -4.172 -7.736 1.00 0.00 C ATOM 1423 C GLU A 102 4.616 -5.692 -7.702 1.00 0.00 C ATOM 1424 O GLU A 102 5.288 -6.266 -8.557 1.00 0.00 O ATOM 1425 CB GLU A 102 3.601 -3.741 -8.934 1.00 0.00 C ATOM 1426 CG GLU A 102 4.485 -3.274 -10.093 1.00 0.00 C ATOM 1427 CD GLU A 102 3.732 -3.355 -11.422 1.00 0.00 C ATOM 1428 OE1 GLU A 102 2.566 -2.906 -11.443 1.00 0.00 O ATOM 1429 OE2 GLU A 102 4.340 -3.863 -12.389 1.00 0.00 O ATOM 0 H GLU A 102 5.910 -2.918 -8.564 1.00 0.00 H new ATOM 0 HA GLU A 102 3.926 -3.863 -6.831 1.00 0.00 H new ATOM 0 HB2 GLU A 102 2.977 -4.573 -9.260 1.00 0.00 H new ATOM 0 HB3 GLU A 102 2.929 -2.936 -8.637 1.00 0.00 H new ATOM 0 HG2 GLU A 102 4.810 -2.249 -9.917 1.00 0.00 H new ATOM 0 HG3 GLU A 102 5.383 -3.890 -10.141 1.00 0.00 H new ATOM 1436 N CYS A 103 3.991 -6.302 -6.704 1.00 0.00 N ATOM 1437 CA CYS A 103 4.062 -7.744 -6.547 1.00 0.00 C ATOM 1438 C CYS A 103 3.594 -8.393 -7.851 1.00 0.00 C ATOM 1439 O CYS A 103 3.518 -7.732 -8.885 1.00 0.00 O ATOM 1440 CB CYS A 103 3.244 -8.223 -5.345 1.00 0.00 C ATOM 1441 SG CYS A 103 3.704 -7.454 -3.749 1.00 0.00 S ATOM 0 H CYS A 103 3.434 -5.823 -5.997 1.00 0.00 H new ATOM 0 HA CYS A 103 5.091 -8.040 -6.344 1.00 0.00 H new ATOM 0 HB2 CYS A 103 2.190 -8.024 -5.538 1.00 0.00 H new ATOM 0 HB3 CYS A 103 3.353 -9.304 -5.256 1.00 0.00 H new ATOM 0 HG CYS A 103 2.892 -7.863 -2.820 1.00 0.00 H new ATOM 1446 N THR A 104 3.291 -9.680 -7.759 1.00 0.00 N ATOM 1447 CA THR A 104 2.832 -10.426 -8.918 1.00 0.00 C ATOM 1448 C THR A 104 1.340 -10.738 -8.794 1.00 0.00 C ATOM 1449 O THR A 104 0.498 -9.929 -9.181 1.00 0.00 O ATOM 1450 CB THR A 104 3.705 -11.675 -9.053 1.00 0.00 C ATOM 1451 OG1 THR A 104 3.423 -12.425 -7.874 1.00 0.00 O ATOM 1452 CG2 THR A 104 5.199 -11.359 -8.945 1.00 0.00 C ATOM 0 H THR A 104 3.355 -10.225 -6.899 1.00 0.00 H new ATOM 0 HA THR A 104 2.935 -9.840 -9.831 1.00 0.00 H new ATOM 0 HB THR A 104 3.504 -12.157 -10.010 1.00 0.00 H new ATOM 0 HG1 THR A 104 3.910 -12.039 -7.116 1.00 0.00 H new ATOM 0 HG21 THR A 104 5.774 -12.279 -9.047 1.00 0.00 H new ATOM 0 HG22 THR A 104 5.482 -10.664 -9.736 1.00 0.00 H new ATOM 0 HG23 THR A 104 5.406 -10.908 -7.975 1.00 0.00 H new TER 1460 THR A 104