USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=36 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 92 HIS : no HD1:sc= -6.8! C(o=-12!,f=-13!) USER MOD Set 1.2: A 98 ASN : amide:sc= -4.71! C(o=-12!,f=-7.3!) USER MOD Set 2.1: A 91 THR OG1 : rot -170:sc= 0.406 USER MOD Set 2.2: A 93 THR OG1 : rot 180:sc= 0.00409 USER MOD Set 3.1: A 81 ASN : amide:sc= -21.2! C(o=-53!,f=-29!) USER MOD Set 3.2: A 83 ASN : amide:sc= -21.2! C(o=-53!,f=-27!) USER MOD Set 3.3: A 85 GLN : amide:sc= -10.9! K(o=-53!,f=-28) USER MOD Set 4.1: A 27 HIS : no HD1:sc= -9.62! C(o=-13!,f=-20!) USER MOD Set 4.2: A 57 TYR OH : rot -70:sc= -3.71! USER MOD Set 5.1: A 6 CYS SG : rot -33:sc= -20.2! USER MOD Set 5.2: A 9 ASN : amide:sc= -25.3! C(o=-96!,f=-96!) USER MOD Set 5.3: A 11 TYR OH : rot 74:sc= -8.24! USER MOD Set 5.4: A 103 CYS SG : rot -175:sc= -41.8! USER MOD Single : A 1 ALA N :NH3+ -127:sc= 0.0965 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot -79:sc= 1.23 USER MOD Single : A 8 SER OG : rot 58:sc= 1.26 USER MOD Single : A 12 SER OG : rot 180:sc= -1.79! USER MOD Single : A 13 SER OG : rot 180:sc= 0 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 24 TYR OH : rot -88:sc= -2.15! USER MOD Single : A 25 LYS NZ :NH3+ 150:sc= 0.306 (180deg=-0.00756) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -4.09! C(o=-4.1!,f=-5.9!) USER MOD Single : A 37 SER OG : rot 61:sc= 0.24 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HE2:sc= -5.49! C(o=-5.5!,f=-6.1!) USER MOD Single : A 41 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.134) USER MOD Single : A 42 TYR OH : rot 60:sc= -4.99! USER MOD Single : A 43 ASN : amide:sc= -0.731 K(o=-0.73,f=0) USER MOD Single : A 44 ASN : amide:sc= -0.8 K(o=-0.8,f=-0.15) 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 -27:sc= 0.772 USER MOD Single : A 63 SER OG : rot 180:sc= 0.161 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot -24:sc= -7.3! USER MOD Single : A 69 SER OG : rot 180:sc= -0.136 USER MOD Single : A 72 SER OG : rot 42:sc= 0.39 USER MOD Single : A 84 ASN : amide:sc= -14.2! C(o=-14!,f=-7.4!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -23.3! C(o=-23!,f=-16!) USER MOD Single : A 104 THR OG1 : rot 120:sc= -0.214 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -9.374 -15.247 -5.214 1.00 0.00 N ATOM 2 CA ALA A 1 -8.219 -15.288 -6.094 1.00 0.00 C ATOM 3 C ALA A 1 -7.043 -14.579 -5.419 1.00 0.00 C ATOM 4 O ALA A 1 -7.017 -14.439 -4.197 1.00 0.00 O ATOM 5 CB ALA A 1 -8.582 -14.661 -7.441 1.00 0.00 C ATOM 0 H1 ALA A 1 -9.743 -16.210 -5.081 1.00 0.00 H new ATOM 0 H2 ALA A 1 -9.095 -14.853 -4.293 1.00 0.00 H new ATOM 0 H3 ALA A 1 -10.112 -14.649 -5.637 1.00 0.00 H new ATOM 0 HA ALA A 1 -7.917 -16.318 -6.284 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -7.716 -14.691 -8.102 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -9.403 -15.219 -7.893 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -8.887 -13.625 -7.290 1.00 0.00 H new ATOM 11 N CYS A 2 -6.100 -14.148 -6.244 1.00 0.00 N ATOM 12 CA CYS A 2 -4.925 -13.458 -5.742 1.00 0.00 C ATOM 13 C CYS A 2 -4.237 -12.761 -6.919 1.00 0.00 C ATOM 14 O CYS A 2 -3.224 -13.242 -7.423 1.00 0.00 O ATOM 15 CB CYS A 2 -3.977 -14.411 -5.010 1.00 0.00 C ATOM 16 SG CYS A 2 -4.460 -16.174 -5.078 1.00 0.00 S ATOM 0 H CYS A 2 -6.126 -14.264 -7.257 1.00 0.00 H new ATOM 0 HA CYS A 2 -5.226 -12.713 -5.005 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -2.979 -14.305 -5.435 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -3.913 -14.106 -3.965 1.00 0.00 H new ATOM 21 N ASP A 3 -4.817 -11.640 -7.322 1.00 0.00 N ATOM 22 CA ASP A 3 -4.274 -10.873 -8.430 1.00 0.00 C ATOM 23 C ASP A 3 -2.898 -10.329 -8.040 1.00 0.00 C ATOM 24 O ASP A 3 -2.104 -9.960 -8.906 1.00 0.00 O ATOM 25 CB ASP A 3 -5.173 -9.683 -8.770 1.00 0.00 C ATOM 26 CG ASP A 3 -6.216 -9.951 -9.856 1.00 0.00 C ATOM 27 OD1 ASP A 3 -6.444 -11.146 -10.141 1.00 0.00 O ATOM 28 OD2 ASP A 3 -6.762 -8.954 -10.377 1.00 0.00 O ATOM 0 H ASP A 3 -5.658 -11.245 -6.901 1.00 0.00 H new ATOM 0 HA ASP A 3 -4.206 -11.532 -9.296 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -5.688 -9.365 -7.863 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -4.545 -8.851 -9.088 1.00 0.00 H new ATOM 33 N TYR A 4 -2.656 -10.297 -6.738 1.00 0.00 N ATOM 34 CA TYR A 4 -1.390 -9.804 -6.224 1.00 0.00 C ATOM 35 C TYR A 4 -0.697 -10.863 -5.363 1.00 0.00 C ATOM 36 O TYR A 4 -1.360 -11.633 -4.669 1.00 0.00 O ATOM 37 CB TYR A 4 -1.730 -8.596 -5.349 1.00 0.00 C ATOM 38 CG TYR A 4 -2.487 -7.489 -6.086 1.00 0.00 C ATOM 39 CD1 TYR A 4 -1.803 -6.613 -6.904 1.00 0.00 C ATOM 40 CD2 TYR A 4 -3.852 -7.366 -5.931 1.00 0.00 C ATOM 41 CE1 TYR A 4 -2.515 -5.570 -7.596 1.00 0.00 C ATOM 42 CE2 TYR A 4 -4.564 -6.323 -6.624 1.00 0.00 C ATOM 43 CZ TYR A 4 -3.861 -5.476 -7.422 1.00 0.00 C ATOM 44 OH TYR A 4 -4.533 -4.493 -8.077 1.00 0.00 O ATOM 0 H TYR A 4 -3.316 -10.605 -6.023 1.00 0.00 H new ATOM 0 HA TYR A 4 -0.717 -9.550 -7.043 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -2.329 -8.930 -4.502 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -0.807 -8.183 -4.943 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -0.734 -6.710 -7.025 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -4.387 -8.051 -5.290 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -1.992 -4.878 -8.239 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -5.633 -6.216 -6.512 1.00 0.00 H new ATOM 0 HH TYR A 4 -5.487 -4.548 -7.859 1.00 0.00 H new ATOM 54 N THR A 5 0.625 -10.868 -5.437 1.00 0.00 N ATOM 55 CA THR A 5 1.414 -11.819 -4.672 1.00 0.00 C ATOM 56 C THR A 5 2.804 -11.251 -4.385 1.00 0.00 C ATOM 57 O THR A 5 3.651 -11.190 -5.274 1.00 0.00 O ATOM 58 CB THR A 5 1.446 -13.138 -5.448 1.00 0.00 C ATOM 59 OG1 THR A 5 0.474 -13.950 -4.793 1.00 0.00 O ATOM 60 CG2 THR A 5 2.758 -13.900 -5.256 1.00 0.00 C ATOM 0 H THR A 5 1.170 -10.229 -6.015 1.00 0.00 H new ATOM 0 HA THR A 5 0.967 -12.008 -3.696 1.00 0.00 H new ATOM 0 HB THR A 5 1.295 -12.938 -6.509 1.00 0.00 H new ATOM 0 HG1 THR A 5 0.856 -14.316 -3.968 1.00 0.00 H new ATOM 0 HG21 THR A 5 2.727 -14.827 -5.828 1.00 0.00 H new ATOM 0 HG22 THR A 5 3.589 -13.287 -5.604 1.00 0.00 H new ATOM 0 HG23 THR A 5 2.894 -14.130 -4.199 1.00 0.00 H new ATOM 68 N CYS A 6 2.997 -10.849 -3.137 1.00 0.00 N ATOM 69 CA CYS A 6 4.270 -10.287 -2.720 1.00 0.00 C ATOM 70 C CYS A 6 5.232 -11.441 -2.427 1.00 0.00 C ATOM 71 O CYS A 6 5.694 -11.595 -1.297 1.00 0.00 O ATOM 72 CB CYS A 6 4.112 -9.356 -1.516 1.00 0.00 C ATOM 73 SG CYS A 6 3.528 -7.670 -1.921 1.00 0.00 S ATOM 0 H CYS A 6 2.293 -10.902 -2.401 1.00 0.00 H new ATOM 0 HA CYS A 6 4.677 -9.670 -3.521 1.00 0.00 H new ATOM 0 HB2 CYS A 6 3.412 -9.809 -0.814 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.072 -9.280 -1.005 1.00 0.00 H new ATOM 0 HG CYS A 6 3.987 -7.320 -3.086 1.00 0.00 H new ATOM 78 N GLY A 7 5.504 -12.220 -3.463 1.00 0.00 N ATOM 79 CA GLY A 7 6.402 -13.354 -3.331 1.00 0.00 C ATOM 80 C GLY A 7 5.755 -14.472 -2.511 1.00 0.00 C ATOM 81 O GLY A 7 5.660 -15.609 -2.971 1.00 0.00 O ATOM 0 H GLY A 7 5.118 -12.088 -4.398 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.667 -13.730 -4.319 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.328 -13.036 -2.852 1.00 0.00 H new ATOM 85 N SER A 8 5.328 -14.110 -1.309 1.00 0.00 N ATOM 86 CA SER A 8 4.694 -15.069 -0.421 1.00 0.00 C ATOM 87 C SER A 8 3.356 -14.516 0.075 1.00 0.00 C ATOM 88 O SER A 8 3.111 -14.463 1.279 1.00 0.00 O ATOM 89 CB SER A 8 5.601 -15.405 0.764 1.00 0.00 C ATOM 90 OG SER A 8 5.558 -14.399 1.772 1.00 0.00 O ATOM 0 H SER A 8 5.409 -13.166 -0.930 1.00 0.00 H new ATOM 0 HA SER A 8 4.516 -15.988 -0.980 1.00 0.00 H new ATOM 0 HB2 SER A 8 5.298 -16.360 1.192 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.626 -15.523 0.414 1.00 0.00 H new ATOM 0 HG SER A 8 4.636 -14.288 2.085 1.00 0.00 H new ATOM 96 N ASN A 9 2.527 -14.118 -0.878 1.00 0.00 N ATOM 97 CA ASN A 9 1.220 -13.572 -0.553 1.00 0.00 C ATOM 98 C ASN A 9 0.191 -14.091 -1.558 1.00 0.00 C ATOM 99 O ASN A 9 0.511 -14.920 -2.409 1.00 0.00 O ATOM 100 CB ASN A 9 1.228 -12.043 -0.630 1.00 0.00 C ATOM 101 CG ASN A 9 2.375 -11.458 0.195 1.00 0.00 C ATOM 102 OD1 ASN A 9 2.179 -10.689 1.122 1.00 0.00 O ATOM 103 ND2 ASN A 9 3.581 -11.864 -0.192 1.00 0.00 N ATOM 0 H ASN A 9 2.735 -14.163 -1.876 1.00 0.00 H new ATOM 0 HA ASN A 9 0.968 -13.881 0.461 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.325 -11.728 -1.669 1.00 0.00 H new ATOM 0 HB3 ASN A 9 0.278 -11.652 -0.266 1.00 0.00 H new ATOM 0 HD21 ASN A 9 4.412 -11.530 0.296 1.00 0.00 H new ATOM 0 HD22 ASN A 9 3.675 -12.509 -0.976 1.00 0.00 H new ATOM 110 N CYS A 10 -1.026 -13.582 -1.427 1.00 0.00 N ATOM 111 CA CYS A 10 -2.105 -13.984 -2.314 1.00 0.00 C ATOM 112 C CYS A 10 -3.358 -13.192 -1.935 1.00 0.00 C ATOM 113 O CYS A 10 -4.339 -13.764 -1.462 1.00 0.00 O ATOM 114 CB CYS A 10 -2.347 -15.494 -2.262 1.00 0.00 C ATOM 115 SG CYS A 10 -2.696 -16.272 -3.881 1.00 0.00 S ATOM 0 H CYS A 10 -1.288 -12.895 -0.720 1.00 0.00 H new ATOM 0 HA CYS A 10 -1.833 -13.761 -3.346 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.471 -15.973 -1.826 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -3.184 -15.691 -1.592 1.00 0.00 H new ATOM 120 N TYR A 11 -3.285 -11.888 -2.159 1.00 0.00 N ATOM 121 CA TYR A 11 -4.401 -11.012 -1.847 1.00 0.00 C ATOM 122 C TYR A 11 -4.757 -10.129 -3.046 1.00 0.00 C ATOM 123 O TYR A 11 -4.099 -9.120 -3.293 1.00 0.00 O ATOM 124 CB TYR A 11 -3.930 -10.122 -0.696 1.00 0.00 C ATOM 125 CG TYR A 11 -2.420 -9.874 -0.678 1.00 0.00 C ATOM 126 CD1 TYR A 11 -1.749 -9.624 -1.857 1.00 0.00 C ATOM 127 CD2 TYR A 11 -1.730 -9.902 0.517 1.00 0.00 C ATOM 128 CE1 TYR A 11 -0.327 -9.390 -1.841 1.00 0.00 C ATOM 129 CE2 TYR A 11 -0.310 -9.668 0.534 1.00 0.00 C ATOM 130 CZ TYR A 11 0.322 -9.424 -0.646 1.00 0.00 C ATOM 131 OH TYR A 11 1.663 -9.204 -0.630 1.00 0.00 O ATOM 0 H TYR A 11 -2.470 -11.417 -2.553 1.00 0.00 H new ATOM 0 HA TYR A 11 -5.286 -11.595 -1.590 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -4.445 -9.163 -0.758 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -4.224 -10.581 0.248 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -2.289 -9.604 -2.792 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -2.256 -10.100 1.439 1.00 0.00 H new ATOM 0 HE1 TYR A 11 0.211 -9.192 -2.756 1.00 0.00 H new ATOM 0 HE2 TYR A 11 0.241 -9.686 1.462 1.00 0.00 H new ATOM 0 HH TYR A 11 1.840 -8.251 -0.777 1.00 0.00 H new ATOM 141 N SER A 12 -5.795 -10.542 -3.757 1.00 0.00 N ATOM 142 CA SER A 12 -6.245 -9.802 -4.923 1.00 0.00 C ATOM 143 C SER A 12 -6.691 -8.398 -4.512 1.00 0.00 C ATOM 144 O SER A 12 -6.597 -8.031 -3.341 1.00 0.00 O ATOM 145 CB SER A 12 -7.386 -10.534 -5.634 1.00 0.00 C ATOM 146 OG SER A 12 -7.093 -10.770 -7.009 1.00 0.00 O ATOM 0 H SER A 12 -6.338 -11.380 -3.548 1.00 0.00 H new ATOM 0 HA SER A 12 -5.410 -9.722 -5.620 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.574 -11.485 -5.135 1.00 0.00 H new ATOM 0 HB3 SER A 12 -8.300 -9.946 -5.554 1.00 0.00 H new ATOM 0 HG SER A 12 -7.844 -11.240 -7.428 1.00 0.00 H new ATOM 152 N SER A 13 -7.168 -7.650 -5.496 1.00 0.00 N ATOM 153 CA SER A 13 -7.629 -6.294 -5.250 1.00 0.00 C ATOM 154 C SER A 13 -8.692 -6.294 -4.150 1.00 0.00 C ATOM 155 O SER A 13 -9.006 -5.247 -3.585 1.00 0.00 O ATOM 156 CB SER A 13 -8.187 -5.662 -6.528 1.00 0.00 C ATOM 157 OG SER A 13 -9.374 -6.315 -6.971 1.00 0.00 O ATOM 0 H SER A 13 -7.245 -7.957 -6.466 1.00 0.00 H new ATOM 0 HA SER A 13 -6.778 -5.697 -4.923 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.398 -4.608 -6.349 1.00 0.00 H new ATOM 0 HB3 SER A 13 -7.433 -5.707 -7.314 1.00 0.00 H new ATOM 0 HG SER A 13 -9.700 -5.882 -7.787 1.00 0.00 H new ATOM 163 N SER A 14 -9.217 -7.481 -3.879 1.00 0.00 N ATOM 164 CA SER A 14 -10.239 -7.630 -2.856 1.00 0.00 C ATOM 165 C SER A 14 -9.586 -7.723 -1.475 1.00 0.00 C ATOM 166 O SER A 14 -10.167 -7.293 -0.480 1.00 0.00 O ATOM 167 CB SER A 14 -11.104 -8.864 -3.118 1.00 0.00 C ATOM 168 OG SER A 14 -12.150 -8.996 -2.161 1.00 0.00 O ATOM 0 H SER A 14 -8.954 -8.347 -4.349 1.00 0.00 H new ATOM 0 HA SER A 14 -10.886 -6.753 -2.887 1.00 0.00 H new ATOM 0 HB2 SER A 14 -11.533 -8.800 -4.118 1.00 0.00 H new ATOM 0 HB3 SER A 14 -10.478 -9.756 -3.096 1.00 0.00 H new ATOM 0 HG SER A 14 -12.680 -9.795 -2.364 1.00 0.00 H new ATOM 174 N ASP A 15 -8.388 -8.287 -1.459 1.00 0.00 N ATOM 175 CA ASP A 15 -7.650 -8.443 -0.217 1.00 0.00 C ATOM 176 C ASP A 15 -6.925 -7.135 0.108 1.00 0.00 C ATOM 177 O ASP A 15 -6.834 -6.743 1.269 1.00 0.00 O ATOM 178 CB ASP A 15 -6.601 -9.549 -0.333 1.00 0.00 C ATOM 179 CG ASP A 15 -7.076 -10.938 0.099 1.00 0.00 C ATOM 180 OD1 ASP A 15 -8.034 -11.432 -0.532 1.00 0.00 O ATOM 181 OD2 ASP A 15 -6.468 -11.475 1.050 1.00 0.00 O ATOM 0 H ASP A 15 -7.909 -8.642 -2.287 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.361 -8.703 0.567 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.264 -9.602 -1.368 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.736 -9.273 0.270 1.00 0.00 H new ATOM 186 N VAL A 16 -6.426 -6.497 -0.941 1.00 0.00 N ATOM 187 CA VAL A 16 -5.711 -5.242 -0.783 1.00 0.00 C ATOM 188 C VAL A 16 -6.626 -4.220 -0.104 1.00 0.00 C ATOM 189 O VAL A 16 -6.262 -3.637 0.915 1.00 0.00 O ATOM 190 CB VAL A 16 -5.185 -4.765 -2.138 1.00 0.00 C ATOM 191 CG1 VAL A 16 -4.611 -3.351 -2.037 1.00 0.00 C ATOM 192 CG2 VAL A 16 -4.146 -5.740 -2.696 1.00 0.00 C ATOM 0 H VAL A 16 -6.503 -6.826 -1.903 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.841 -5.377 -0.141 1.00 0.00 H new ATOM 0 HB VAL A 16 -6.025 -4.736 -2.832 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.244 -3.037 -3.014 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.390 -2.665 -1.704 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.789 -3.342 -1.321 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.788 -5.378 -3.660 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.308 -5.815 -2.003 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.601 -6.722 -2.824 1.00 0.00 H new ATOM 202 N SER A 17 -7.797 -4.035 -0.698 1.00 0.00 N ATOM 203 CA SER A 17 -8.767 -3.095 -0.163 1.00 0.00 C ATOM 204 C SER A 17 -8.731 -3.120 1.366 1.00 0.00 C ATOM 205 O SER A 17 -8.575 -2.079 2.004 1.00 0.00 O ATOM 206 CB SER A 17 -10.176 -3.412 -0.667 1.00 0.00 C ATOM 207 OG SER A 17 -11.070 -2.319 -0.474 1.00 0.00 O ATOM 0 H SER A 17 -8.095 -4.520 -1.544 1.00 0.00 H new ATOM 0 HA SER A 17 -8.503 -2.096 -0.509 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.134 -3.663 -1.727 1.00 0.00 H new ATOM 0 HB3 SER A 17 -10.559 -4.290 -0.146 1.00 0.00 H new ATOM 0 HG SER A 17 -11.959 -2.560 -0.810 1.00 0.00 H new ATOM 213 N THR A 18 -8.879 -4.319 1.910 1.00 0.00 N ATOM 214 CA THR A 18 -8.867 -4.493 3.353 1.00 0.00 C ATOM 215 C THR A 18 -7.715 -3.701 3.975 1.00 0.00 C ATOM 216 O THR A 18 -7.921 -2.930 4.912 1.00 0.00 O ATOM 217 CB THR A 18 -8.802 -5.992 3.648 1.00 0.00 C ATOM 218 OG1 THR A 18 -10.168 -6.388 3.737 1.00 0.00 O ATOM 219 CG2 THR A 18 -8.236 -6.291 5.038 1.00 0.00 C ATOM 0 H THR A 18 -9.008 -5.179 1.378 1.00 0.00 H new ATOM 0 HA THR A 18 -9.775 -4.097 3.807 1.00 0.00 H new ATOM 0 HB THR A 18 -8.189 -6.484 2.893 1.00 0.00 H new ATOM 0 HG1 THR A 18 -10.219 -7.348 3.925 1.00 0.00 H new ATOM 0 HG21 THR A 18 -8.212 -7.369 5.197 1.00 0.00 H new ATOM 0 HG22 THR A 18 -7.225 -5.890 5.113 1.00 0.00 H new ATOM 0 HG23 THR A 18 -8.868 -5.827 5.796 1.00 0.00 H new ATOM 227 N ALA A 19 -6.526 -3.918 3.429 1.00 0.00 N ATOM 228 CA ALA A 19 -5.342 -3.235 3.920 1.00 0.00 C ATOM 229 C ALA A 19 -5.517 -1.725 3.738 1.00 0.00 C ATOM 230 O ALA A 19 -5.175 -0.946 4.626 1.00 0.00 O ATOM 231 CB ALA A 19 -4.107 -3.770 3.193 1.00 0.00 C ATOM 0 H ALA A 19 -6.358 -4.557 2.652 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.203 -3.425 4.984 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.218 -3.258 3.561 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.012 -4.840 3.377 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.210 -3.594 2.122 1.00 0.00 H new ATOM 237 N GLN A 20 -6.051 -1.359 2.582 1.00 0.00 N ATOM 238 CA GLN A 20 -6.276 0.043 2.273 1.00 0.00 C ATOM 239 C GLN A 20 -7.192 0.677 3.321 1.00 0.00 C ATOM 240 O GLN A 20 -6.821 1.658 3.964 1.00 0.00 O ATOM 241 CB GLN A 20 -6.854 0.208 0.866 1.00 0.00 C ATOM 242 CG GLN A 20 -6.176 -0.745 -0.120 1.00 0.00 C ATOM 243 CD GLN A 20 -6.857 -0.692 -1.490 1.00 0.00 C ATOM 244 OE1 GLN A 20 -7.168 -1.703 -2.097 1.00 0.00 O ATOM 245 NE2 GLN A 20 -7.071 0.541 -1.940 1.00 0.00 N ATOM 0 H GLN A 20 -6.334 -2.009 1.848 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.316 0.560 2.298 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -7.927 0.015 0.885 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -6.721 1.237 0.533 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.124 -0.480 -0.222 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.212 -1.763 0.269 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -6.786 1.345 -1.381 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -7.521 0.683 -2.844 1.00 0.00 H new ATOM 254 N ALA A 21 -8.373 0.091 3.460 1.00 0.00 N ATOM 255 CA ALA A 21 -9.346 0.587 4.419 1.00 0.00 C ATOM 256 C ALA A 21 -8.615 1.102 5.660 1.00 0.00 C ATOM 257 O ALA A 21 -9.038 2.082 6.271 1.00 0.00 O ATOM 258 CB ALA A 21 -10.347 -0.522 4.748 1.00 0.00 C ATOM 0 H ALA A 21 -8.678 -0.722 2.925 1.00 0.00 H new ATOM 0 HA ALA A 21 -9.909 1.421 4.000 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.077 -0.151 5.467 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.859 -0.832 3.837 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.818 -1.375 5.174 1.00 0.00 H new ATOM 264 N ALA A 22 -7.532 0.417 5.997 1.00 0.00 N ATOM 265 CA ALA A 22 -6.739 0.793 7.155 1.00 0.00 C ATOM 266 C ALA A 22 -5.992 2.095 6.855 1.00 0.00 C ATOM 267 O ALA A 22 -6.134 3.077 7.582 1.00 0.00 O ATOM 268 CB ALA A 22 -5.792 -0.352 7.519 1.00 0.00 C ATOM 0 H ALA A 22 -7.185 -0.396 5.488 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.380 0.972 8.018 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.197 -0.070 8.388 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.373 -1.245 7.751 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.130 -0.558 6.678 1.00 0.00 H new ATOM 274 N GLY A 23 -5.213 2.059 5.784 1.00 0.00 N ATOM 275 CA GLY A 23 -4.443 3.223 5.380 1.00 0.00 C ATOM 276 C GLY A 23 -5.351 4.438 5.179 1.00 0.00 C ATOM 277 O GLY A 23 -5.019 5.544 5.604 1.00 0.00 O ATOM 0 H GLY A 23 -5.099 1.242 5.184 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.692 3.447 6.137 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.909 3.007 4.455 1.00 0.00 H new ATOM 281 N TYR A 24 -6.481 4.192 4.531 1.00 0.00 N ATOM 282 CA TYR A 24 -7.439 5.252 4.268 1.00 0.00 C ATOM 283 C TYR A 24 -8.011 5.810 5.573 1.00 0.00 C ATOM 284 O TYR A 24 -7.821 6.985 5.886 1.00 0.00 O ATOM 285 CB TYR A 24 -8.570 4.608 3.464 1.00 0.00 C ATOM 286 CG TYR A 24 -9.286 5.571 2.515 1.00 0.00 C ATOM 287 CD1 TYR A 24 -8.748 5.842 1.273 1.00 0.00 C ATOM 288 CD2 TYR A 24 -10.468 6.170 2.900 1.00 0.00 C ATOM 289 CE1 TYR A 24 -9.421 6.749 0.379 1.00 0.00 C ATOM 290 CE2 TYR A 24 -11.140 7.077 2.007 1.00 0.00 C ATOM 291 CZ TYR A 24 -10.584 7.321 0.790 1.00 0.00 C ATOM 292 OH TYR A 24 -11.219 8.177 -0.053 1.00 0.00 O ATOM 0 H TYR A 24 -6.754 3.274 4.181 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.964 6.076 3.735 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -8.164 3.779 2.885 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -9.299 4.187 4.156 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -7.823 5.374 0.972 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -10.889 5.958 3.872 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -9.011 6.970 -0.596 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -12.065 7.553 2.297 1.00 0.00 H new ATOM 0 HH TYR A 24 -10.880 9.086 0.087 1.00 0.00 H new ATOM 302 N LYS A 25 -8.700 4.942 6.299 1.00 0.00 N ATOM 303 CA LYS A 25 -9.300 5.333 7.563 1.00 0.00 C ATOM 304 C LYS A 25 -8.336 6.251 8.317 1.00 0.00 C ATOM 305 O LYS A 25 -8.657 7.409 8.584 1.00 0.00 O ATOM 306 CB LYS A 25 -9.721 4.097 8.361 1.00 0.00 C ATOM 307 CG LYS A 25 -10.422 4.497 9.661 1.00 0.00 C ATOM 308 CD LYS A 25 -11.786 5.130 9.377 1.00 0.00 C ATOM 309 CE LYS A 25 -12.596 5.288 10.665 1.00 0.00 C ATOM 310 NZ LYS A 25 -11.912 6.212 11.599 1.00 0.00 N ATOM 0 H LYS A 25 -8.856 3.969 6.036 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.214 5.901 7.391 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.388 3.481 7.759 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.844 3.490 8.588 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.549 3.619 10.294 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.799 5.200 10.213 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.648 6.104 8.908 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.338 4.511 8.670 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -13.591 5.668 10.432 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.730 4.316 11.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.619 6.702 12.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -11.270 5.672 12.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.366 6.912 11.057 1.00 0.00 H new ATOM 324 N LEU A 26 -7.174 5.702 8.641 1.00 0.00 N ATOM 325 CA LEU A 26 -6.162 6.459 9.359 1.00 0.00 C ATOM 326 C LEU A 26 -5.803 7.711 8.557 1.00 0.00 C ATOM 327 O LEU A 26 -5.505 8.757 9.131 1.00 0.00 O ATOM 328 CB LEU A 26 -4.960 5.570 9.684 1.00 0.00 C ATOM 329 CG LEU A 26 -3.782 6.262 10.373 1.00 0.00 C ATOM 330 CD1 LEU A 26 -3.856 6.090 11.891 1.00 0.00 C ATOM 331 CD2 LEU A 26 -2.449 5.770 9.804 1.00 0.00 C ATOM 0 H LEU A 26 -6.911 4.742 8.419 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.549 6.797 10.320 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.299 4.753 10.321 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.602 5.124 8.756 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.845 7.331 10.167 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.007 6.591 12.356 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.783 6.527 12.262 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.831 5.029 12.139 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.628 6.277 10.310 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.362 4.695 9.959 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.407 5.987 8.737 1.00 0.00 H new ATOM 343 N HIS A 27 -5.842 7.562 7.240 1.00 0.00 N ATOM 344 CA HIS A 27 -5.523 8.669 6.353 1.00 0.00 C ATOM 345 C HIS A 27 -6.587 9.758 6.490 1.00 0.00 C ATOM 346 O HIS A 27 -6.263 10.925 6.709 1.00 0.00 O ATOM 347 CB HIS A 27 -5.357 8.180 4.913 1.00 0.00 C ATOM 348 CG HIS A 27 -5.168 9.288 3.905 1.00 0.00 C ATOM 349 ND1 HIS A 27 -4.120 10.190 3.971 1.00 0.00 N ATOM 350 CD2 HIS A 27 -5.902 9.631 2.808 1.00 0.00 C ATOM 351 CE1 HIS A 27 -4.230 11.033 2.955 1.00 0.00 C ATOM 352 NE2 HIS A 27 -5.334 10.685 2.235 1.00 0.00 N ATOM 0 H HIS A 27 -6.089 6.693 6.767 1.00 0.00 H new ATOM 0 HA HIS A 27 -4.566 9.106 6.639 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.499 7.509 4.865 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.234 7.596 4.635 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -6.795 9.130 2.464 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -3.562 11.853 2.736 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -5.668 11.157 1.395 1.00 0.00 H new ATOM 361 N GLU A 28 -7.838 9.341 6.354 1.00 0.00 N ATOM 362 CA GLU A 28 -8.952 10.268 6.459 1.00 0.00 C ATOM 363 C GLU A 28 -8.900 11.011 7.796 1.00 0.00 C ATOM 364 O GLU A 28 -9.378 12.139 7.902 1.00 0.00 O ATOM 365 CB GLU A 28 -10.288 9.542 6.289 1.00 0.00 C ATOM 366 CG GLU A 28 -10.069 8.062 5.963 1.00 0.00 C ATOM 367 CD GLU A 28 -11.404 7.343 5.764 1.00 0.00 C ATOM 368 OE1 GLU A 28 -12.418 8.058 5.607 1.00 0.00 O ATOM 369 OE2 GLU A 28 -11.382 6.092 5.772 1.00 0.00 O ATOM 0 H GLU A 28 -8.104 8.373 6.172 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.867 10.999 5.655 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -10.875 9.634 7.203 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.863 10.013 5.492 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.464 7.970 5.061 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.512 7.586 6.770 1.00 0.00 H new ATOM 376 N ASP A 29 -8.311 10.350 8.782 1.00 0.00 N ATOM 377 CA ASP A 29 -8.189 10.934 10.106 1.00 0.00 C ATOM 378 C ASP A 29 -6.894 11.743 10.185 1.00 0.00 C ATOM 379 O ASP A 29 -6.719 12.557 11.090 1.00 0.00 O ATOM 380 CB ASP A 29 -8.136 9.850 11.184 1.00 0.00 C ATOM 381 CG ASP A 29 -9.497 9.306 11.623 1.00 0.00 C ATOM 382 OD1 ASP A 29 -10.103 8.571 10.814 1.00 0.00 O ATOM 383 OD2 ASP A 29 -9.902 9.639 12.758 1.00 0.00 O ATOM 0 H ASP A 29 -7.913 9.415 8.690 1.00 0.00 H new ATOM 0 HA ASP A 29 -9.059 11.568 10.275 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.532 9.021 10.815 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.624 10.253 12.058 1.00 0.00 H new ATOM 388 N GLY A 30 -6.016 11.490 9.225 1.00 0.00 N ATOM 389 CA GLY A 30 -4.740 12.184 9.174 1.00 0.00 C ATOM 390 C GLY A 30 -3.783 11.652 10.242 1.00 0.00 C ATOM 391 O GLY A 30 -2.858 12.350 10.655 1.00 0.00 O ATOM 0 H GLY A 30 -6.163 10.814 8.476 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.294 12.060 8.187 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.897 13.253 9.321 1.00 0.00 H new ATOM 395 N GLU A 31 -4.040 10.421 10.661 1.00 0.00 N ATOM 396 CA GLU A 31 -3.212 9.787 11.673 1.00 0.00 C ATOM 397 C GLU A 31 -2.194 8.851 11.018 1.00 0.00 C ATOM 398 O GLU A 31 -2.218 8.657 9.804 1.00 0.00 O ATOM 399 CB GLU A 31 -4.072 9.036 12.692 1.00 0.00 C ATOM 400 CG GLU A 31 -4.769 10.009 13.645 1.00 0.00 C ATOM 401 CD GLU A 31 -3.771 10.632 14.621 1.00 0.00 C ATOM 402 OE1 GLU A 31 -2.844 9.899 15.029 1.00 0.00 O ATOM 403 OE2 GLU A 31 -3.956 11.826 14.939 1.00 0.00 O ATOM 0 H GLU A 31 -4.810 9.846 10.318 1.00 0.00 H new ATOM 0 HA GLU A 31 -2.667 10.565 12.208 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.817 8.435 12.171 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.448 8.347 13.262 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.261 10.795 13.072 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.547 9.485 14.200 1.00 0.00 H new ATOM 410 N THR A 32 -1.326 8.298 11.852 1.00 0.00 N ATOM 411 CA THR A 32 -0.301 7.387 11.368 1.00 0.00 C ATOM 412 C THR A 32 -0.300 6.100 12.193 1.00 0.00 C ATOM 413 O THR A 32 -1.007 5.999 13.195 1.00 0.00 O ATOM 414 CB THR A 32 1.038 8.126 11.393 1.00 0.00 C ATOM 415 OG1 THR A 32 1.214 8.479 12.763 1.00 0.00 O ATOM 416 CG2 THR A 32 0.978 9.472 10.667 1.00 0.00 C ATOM 0 H THR A 32 -1.311 8.462 12.859 1.00 0.00 H new ATOM 0 HA THR A 32 -0.499 7.078 10.342 1.00 0.00 H new ATOM 0 HB THR A 32 1.806 7.501 10.937 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.060 8.961 12.870 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.954 9.955 10.715 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.703 9.311 9.625 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.234 10.110 11.144 1.00 0.00 H new ATOM 424 N VAL A 33 0.501 5.147 11.743 1.00 0.00 N ATOM 425 CA VAL A 33 0.604 3.868 12.428 1.00 0.00 C ATOM 426 C VAL A 33 2.077 3.550 12.687 1.00 0.00 C ATOM 427 O VAL A 33 2.910 3.673 11.789 1.00 0.00 O ATOM 428 CB VAL A 33 -0.109 2.783 11.618 1.00 0.00 C ATOM 429 CG1 VAL A 33 -1.414 3.312 11.021 1.00 0.00 C ATOM 430 CG2 VAL A 33 0.807 2.223 10.527 1.00 0.00 C ATOM 0 H VAL A 33 1.086 5.234 10.912 1.00 0.00 H new ATOM 0 HA VAL A 33 0.107 3.912 13.397 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.359 1.968 12.297 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.900 2.521 10.450 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.075 3.639 11.824 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.198 4.154 10.363 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.276 1.454 9.966 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.102 3.026 9.852 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.696 1.790 10.985 1.00 0.00 H new ATOM 440 N GLY A 34 2.356 3.149 13.919 1.00 0.00 N ATOM 441 CA GLY A 34 3.714 2.812 14.307 1.00 0.00 C ATOM 442 C GLY A 34 4.542 4.075 14.556 1.00 0.00 C ATOM 443 O GLY A 34 3.997 5.119 14.912 1.00 0.00 O ATOM 0 H GLY A 34 1.664 3.050 14.661 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.697 2.200 15.209 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.182 2.214 13.525 1.00 0.00 H new ATOM 447 N SER A 35 5.845 3.938 14.360 1.00 0.00 N ATOM 448 CA SER A 35 6.753 5.055 14.559 1.00 0.00 C ATOM 449 C SER A 35 6.991 5.779 13.231 1.00 0.00 C ATOM 450 O SER A 35 7.540 6.879 13.210 1.00 0.00 O ATOM 451 CB SER A 35 8.082 4.585 15.152 1.00 0.00 C ATOM 452 OG SER A 35 7.893 3.733 16.279 1.00 0.00 O ATOM 0 H SER A 35 6.294 3.071 14.065 1.00 0.00 H new ATOM 0 HA SER A 35 6.295 5.747 15.266 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.652 4.055 14.389 1.00 0.00 H new ATOM 0 HB3 SER A 35 8.673 5.451 15.448 1.00 0.00 H new ATOM 0 HG SER A 35 8.765 3.453 16.627 1.00 0.00 H new ATOM 458 N ASN A 36 6.566 5.131 12.156 1.00 0.00 N ATOM 459 CA ASN A 36 6.727 5.699 10.829 1.00 0.00 C ATOM 460 C ASN A 36 5.623 6.729 10.583 1.00 0.00 C ATOM 461 O ASN A 36 4.981 7.194 11.525 1.00 0.00 O ATOM 462 CB ASN A 36 6.613 4.619 9.750 1.00 0.00 C ATOM 463 CG ASN A 36 7.989 4.272 9.176 1.00 0.00 C ATOM 464 OD1 ASN A 36 9.015 4.765 9.613 1.00 0.00 O ATOM 465 ND2 ASN A 36 7.951 3.396 8.175 1.00 0.00 N ATOM 0 H ASN A 36 6.111 4.219 12.177 1.00 0.00 H new ATOM 0 HA ASN A 36 7.714 6.159 10.777 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.155 3.725 10.172 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.958 4.966 8.951 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.816 3.098 7.725 1.00 0.00 H new ATOM 0 HD22 ASN A 36 7.056 3.022 7.858 1.00 0.00 H new ATOM 472 N SER A 37 5.433 7.056 9.313 1.00 0.00 N ATOM 473 CA SER A 37 4.418 8.023 8.932 1.00 0.00 C ATOM 474 C SER A 37 3.491 7.418 7.876 1.00 0.00 C ATOM 475 O SER A 37 3.211 8.048 6.857 1.00 0.00 O ATOM 476 CB SER A 37 5.054 9.311 8.406 1.00 0.00 C ATOM 477 OG SER A 37 5.758 9.098 7.185 1.00 0.00 O ATOM 0 H SER A 37 5.965 6.668 8.534 1.00 0.00 H new ATOM 0 HA SER A 37 3.835 8.274 9.818 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.279 10.061 8.251 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.739 9.709 9.155 1.00 0.00 H new ATOM 0 HG SER A 37 5.136 8.772 6.501 1.00 0.00 H new ATOM 483 N TYR A 38 3.038 6.205 8.156 1.00 0.00 N ATOM 484 CA TYR A 38 2.148 5.509 7.243 1.00 0.00 C ATOM 485 C TYR A 38 0.695 5.607 7.713 1.00 0.00 C ATOM 486 O TYR A 38 0.423 5.577 8.912 1.00 0.00 O ATOM 487 CB TYR A 38 2.581 4.042 7.268 1.00 0.00 C ATOM 488 CG TYR A 38 3.951 3.788 6.634 1.00 0.00 C ATOM 489 CD1 TYR A 38 4.998 4.648 6.886 1.00 0.00 C ATOM 490 CD2 TYR A 38 4.137 2.696 5.809 1.00 0.00 C ATOM 491 CE1 TYR A 38 6.287 4.408 6.290 1.00 0.00 C ATOM 492 CE2 TYR A 38 5.426 2.455 5.213 1.00 0.00 C ATOM 493 CZ TYR A 38 6.437 3.324 5.482 1.00 0.00 C ATOM 494 OH TYR A 38 7.654 3.097 4.919 1.00 0.00 O ATOM 0 H TYR A 38 3.271 5.686 9.003 1.00 0.00 H new ATOM 0 HA TYR A 38 2.204 5.945 6.245 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.600 3.697 8.302 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.834 3.444 6.746 1.00 0.00 H new ATOM 0 HD1 TYR A 38 4.852 5.502 7.531 1.00 0.00 H new ATOM 0 HD2 TYR A 38 3.316 2.023 5.611 1.00 0.00 H new ATOM 0 HE1 TYR A 38 7.116 5.074 6.480 1.00 0.00 H new ATOM 0 HE2 TYR A 38 5.586 1.604 4.568 1.00 0.00 H new ATOM 0 HH TYR A 38 7.614 2.288 4.368 1.00 0.00 H new ATOM 504 N PRO A 39 -0.224 5.724 6.717 1.00 0.00 N ATOM 505 CA PRO A 39 0.182 5.751 5.323 1.00 0.00 C ATOM 506 C PRO A 39 0.801 7.102 4.958 1.00 0.00 C ATOM 507 O PRO A 39 1.069 7.923 5.834 1.00 0.00 O ATOM 508 CB PRO A 39 -1.083 5.447 4.538 1.00 0.00 C ATOM 509 CG PRO A 39 -2.238 5.719 5.488 1.00 0.00 C ATOM 510 CD PRO A 39 -1.670 5.834 6.892 1.00 0.00 C ATOM 0 HA PRO A 39 0.960 5.021 5.098 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -1.152 6.075 3.650 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.092 4.411 4.198 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -2.754 6.638 5.209 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -2.971 4.914 5.438 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -1.942 6.784 7.353 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -2.052 5.045 7.540 1.00 0.00 H new ATOM 518 N HIS A 40 1.009 7.291 3.663 1.00 0.00 N ATOM 519 CA HIS A 40 1.592 8.528 3.172 1.00 0.00 C ATOM 520 C HIS A 40 1.666 8.490 1.645 1.00 0.00 C ATOM 521 O HIS A 40 1.583 7.421 1.042 1.00 0.00 O ATOM 522 CB HIS A 40 2.951 8.787 3.825 1.00 0.00 C ATOM 523 CG HIS A 40 4.006 7.765 3.472 1.00 0.00 C ATOM 524 ND1 HIS A 40 4.735 7.815 2.296 1.00 0.00 N ATOM 525 CD2 HIS A 40 4.446 6.668 4.153 1.00 0.00 C ATOM 526 CE1 HIS A 40 5.573 6.789 2.280 1.00 0.00 C ATOM 527 NE2 HIS A 40 5.392 6.079 3.431 1.00 0.00 N ATOM 0 H HIS A 40 0.784 6.608 2.939 1.00 0.00 H new ATOM 0 HA HIS A 40 0.956 9.368 3.450 1.00 0.00 H new ATOM 0 HB2 HIS A 40 3.303 9.775 3.528 1.00 0.00 H new ATOM 0 HB3 HIS A 40 2.825 8.805 4.908 1.00 0.00 H new ATOM 0 HD1 HIS A 40 4.643 8.522 1.566 1.00 0.00 H new ATOM 0 HD2 HIS A 40 4.086 6.335 5.115 1.00 0.00 H new ATOM 0 HE1 HIS A 40 6.276 6.556 1.494 1.00 0.00 H new ATOM 536 N LYS A 41 1.822 9.670 1.061 1.00 0.00 N ATOM 537 CA LYS A 41 1.909 9.784 -0.385 1.00 0.00 C ATOM 538 C LYS A 41 2.935 8.779 -0.911 1.00 0.00 C ATOM 539 O LYS A 41 3.878 8.423 -0.206 1.00 0.00 O ATOM 540 CB LYS A 41 2.198 11.230 -0.792 1.00 0.00 C ATOM 541 CG LYS A 41 3.008 11.283 -2.088 1.00 0.00 C ATOM 542 CD LYS A 41 3.162 12.724 -2.580 1.00 0.00 C ATOM 543 CE LYS A 41 4.433 13.362 -2.017 1.00 0.00 C ATOM 544 NZ LYS A 41 4.122 14.153 -0.805 1.00 0.00 N ATOM 0 H LYS A 41 1.890 10.555 1.563 1.00 0.00 H new ATOM 0 HA LYS A 41 0.953 9.533 -0.845 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.260 11.769 -0.923 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.746 11.733 0.005 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.992 10.844 -1.924 1.00 0.00 H new ATOM 0 HG3 LYS A 41 2.515 10.684 -2.854 1.00 0.00 H new ATOM 0 HD2 LYS A 41 3.195 12.739 -3.669 1.00 0.00 H new ATOM 0 HD3 LYS A 41 2.293 13.310 -2.280 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.160 12.587 -1.776 1.00 0.00 H new ATOM 0 HE3 LYS A 41 4.889 14.004 -2.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 4.910 14.801 -0.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 3.253 14.703 -0.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 3.984 13.512 0.002 1.00 0.00 H new ATOM 558 N TYR A 42 2.717 8.350 -2.145 1.00 0.00 N ATOM 559 CA TYR A 42 3.613 7.394 -2.775 1.00 0.00 C ATOM 560 C TYR A 42 3.766 7.687 -4.268 1.00 0.00 C ATOM 561 O TYR A 42 4.858 7.559 -4.820 1.00 0.00 O ATOM 562 CB TYR A 42 2.955 6.023 -2.601 1.00 0.00 C ATOM 563 CG TYR A 42 3.518 4.941 -3.524 1.00 0.00 C ATOM 564 CD1 TYR A 42 3.210 4.953 -4.869 1.00 0.00 C ATOM 565 CD2 TYR A 42 4.335 3.954 -3.012 1.00 0.00 C ATOM 566 CE1 TYR A 42 3.740 3.934 -5.738 1.00 0.00 C ATOM 567 CE2 TYR A 42 4.865 2.936 -3.881 1.00 0.00 C ATOM 568 CZ TYR A 42 4.542 2.976 -5.201 1.00 0.00 C ATOM 569 OH TYR A 42 5.043 2.014 -6.021 1.00 0.00 O ATOM 0 H TYR A 42 1.933 8.647 -2.726 1.00 0.00 H new ATOM 0 HA TYR A 42 4.605 7.443 -2.325 1.00 0.00 H new ATOM 0 HB2 TYR A 42 3.076 5.702 -1.566 1.00 0.00 H new ATOM 0 HB3 TYR A 42 1.884 6.120 -2.782 1.00 0.00 H new ATOM 0 HD1 TYR A 42 2.572 5.726 -5.270 1.00 0.00 H new ATOM 0 HD2 TYR A 42 4.577 3.945 -1.959 1.00 0.00 H new ATOM 0 HE1 TYR A 42 3.506 3.931 -6.792 1.00 0.00 H new ATOM 0 HE2 TYR A 42 5.505 2.158 -3.493 1.00 0.00 H new ATOM 0 HH TYR A 42 5.592 2.431 -6.717 1.00 0.00 H new ATOM 579 N ASN A 43 2.657 8.075 -4.880 1.00 0.00 N ATOM 580 CA ASN A 43 2.655 8.388 -6.299 1.00 0.00 C ATOM 581 C ASN A 43 3.101 7.156 -7.089 1.00 0.00 C ATOM 582 O ASN A 43 2.310 6.242 -7.319 1.00 0.00 O ATOM 583 CB ASN A 43 3.625 9.529 -6.614 1.00 0.00 C ATOM 584 CG ASN A 43 2.909 10.880 -6.590 1.00 0.00 C ATOM 585 OD1 ASN A 43 3.003 11.677 -7.510 1.00 0.00 O ATOM 586 ND2 ASN A 43 2.190 11.093 -5.492 1.00 0.00 N ATOM 0 H ASN A 43 1.753 8.180 -4.419 1.00 0.00 H new ATOM 0 HA ASN A 43 1.644 8.688 -6.576 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.438 9.531 -5.887 1.00 0.00 H new ATOM 0 HB3 ASN A 43 4.074 9.369 -7.594 1.00 0.00 H new ATOM 0 HD21 ASN A 43 1.674 11.966 -5.382 1.00 0.00 H new ATOM 0 HD22 ASN A 43 2.154 10.384 -4.760 1.00 0.00 H new ATOM 593 N ASN A 44 4.366 7.170 -7.481 1.00 0.00 N ATOM 594 CA ASN A 44 4.927 6.066 -8.241 1.00 0.00 C ATOM 595 C ASN A 44 6.082 6.580 -9.103 1.00 0.00 C ATOM 596 O ASN A 44 6.379 7.773 -9.101 1.00 0.00 O ATOM 597 CB ASN A 44 3.880 5.449 -9.170 1.00 0.00 C ATOM 598 CG ASN A 44 3.685 6.306 -10.423 1.00 0.00 C ATOM 599 OD1 ASN A 44 2.960 7.286 -10.428 1.00 0.00 O ATOM 600 ND2 ASN A 44 4.371 5.883 -11.479 1.00 0.00 N ATOM 0 H ASN A 44 5.019 7.929 -7.286 1.00 0.00 H new ATOM 0 HA ASN A 44 5.271 5.311 -7.535 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.190 4.444 -9.457 1.00 0.00 H new ATOM 0 HB3 ASN A 44 2.932 5.351 -8.641 1.00 0.00 H new ATOM 0 HD21 ASN A 44 4.309 6.388 -12.363 1.00 0.00 H new ATOM 0 HD22 ASN A 44 4.960 5.054 -11.406 1.00 0.00 H new ATOM 607 N TYR A 45 6.700 5.654 -9.820 1.00 0.00 N ATOM 608 CA TYR A 45 7.815 5.997 -10.687 1.00 0.00 C ATOM 609 C TYR A 45 8.537 4.741 -11.177 1.00 0.00 C ATOM 610 O TYR A 45 8.836 4.615 -12.363 1.00 0.00 O ATOM 611 CB TYR A 45 8.776 6.822 -9.828 1.00 0.00 C ATOM 612 CG TYR A 45 8.669 8.331 -10.049 1.00 0.00 C ATOM 613 CD1 TYR A 45 7.620 8.850 -10.780 1.00 0.00 C ATOM 614 CD2 TYR A 45 9.622 9.176 -9.516 1.00 0.00 C ATOM 615 CE1 TYR A 45 7.518 10.271 -10.987 1.00 0.00 C ATOM 616 CE2 TYR A 45 9.521 10.597 -9.723 1.00 0.00 C ATOM 617 CZ TYR A 45 8.473 11.075 -10.448 1.00 0.00 C ATOM 618 OH TYR A 45 8.378 12.418 -10.644 1.00 0.00 O ATOM 0 H TYR A 45 6.450 4.665 -9.819 1.00 0.00 H new ATOM 0 HA TYR A 45 7.466 6.540 -11.565 1.00 0.00 H new ATOM 0 HB2 TYR A 45 8.585 6.605 -8.777 1.00 0.00 H new ATOM 0 HB3 TYR A 45 9.798 6.506 -10.039 1.00 0.00 H new ATOM 0 HD1 TYR A 45 6.875 8.189 -11.197 1.00 0.00 H new ATOM 0 HD2 TYR A 45 10.443 8.771 -8.944 1.00 0.00 H new ATOM 0 HE1 TYR A 45 6.702 10.689 -11.557 1.00 0.00 H new ATOM 0 HE2 TYR A 45 10.260 11.269 -9.312 1.00 0.00 H new ATOM 0 HH TYR A 45 9.128 12.867 -10.201 1.00 0.00 H new ATOM 628 N GLU A 46 8.796 3.842 -10.239 1.00 0.00 N ATOM 629 CA GLU A 46 9.476 2.599 -10.560 1.00 0.00 C ATOM 630 C GLU A 46 8.847 1.953 -11.796 1.00 0.00 C ATOM 631 O GLU A 46 9.449 1.081 -12.420 1.00 0.00 O ATOM 632 CB GLU A 46 9.457 1.639 -9.370 1.00 0.00 C ATOM 633 CG GLU A 46 10.195 2.237 -8.170 1.00 0.00 C ATOM 634 CD GLU A 46 11.341 3.142 -8.628 1.00 0.00 C ATOM 635 OE1 GLU A 46 12.331 2.585 -9.149 1.00 0.00 O ATOM 636 OE2 GLU A 46 11.201 4.371 -8.446 1.00 0.00 O ATOM 0 H GLU A 46 8.547 3.950 -9.256 1.00 0.00 H new ATOM 0 HA GLU A 46 10.518 2.826 -10.784 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.426 1.417 -9.094 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.921 0.694 -9.653 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.498 2.809 -7.557 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.587 1.436 -7.543 1.00 0.00 H new ATOM 643 N GLY A 47 7.642 2.405 -12.113 1.00 0.00 N ATOM 644 CA GLY A 47 6.924 1.883 -13.262 1.00 0.00 C ATOM 645 C GLY A 47 5.683 1.104 -12.825 1.00 0.00 C ATOM 646 O GLY A 47 5.500 -0.050 -13.213 1.00 0.00 O ATOM 0 H GLY A 47 7.145 3.128 -11.593 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.631 2.704 -13.916 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.580 1.233 -13.841 1.00 0.00 H new ATOM 650 N PHE A 48 4.859 1.765 -12.024 1.00 0.00 N ATOM 651 CA PHE A 48 3.640 1.149 -11.529 1.00 0.00 C ATOM 652 C PHE A 48 2.436 1.557 -12.380 1.00 0.00 C ATOM 653 O PHE A 48 2.278 2.730 -12.715 1.00 0.00 O ATOM 654 CB PHE A 48 3.433 1.652 -10.099 1.00 0.00 C ATOM 655 CG PHE A 48 4.473 1.136 -9.102 1.00 0.00 C ATOM 656 CD1 PHE A 48 4.339 -0.104 -8.559 1.00 0.00 C ATOM 657 CD2 PHE A 48 5.531 1.918 -8.758 1.00 0.00 C ATOM 658 CE1 PHE A 48 5.303 -0.582 -7.634 1.00 0.00 C ATOM 659 CE2 PHE A 48 6.496 1.440 -7.832 1.00 0.00 C ATOM 660 CZ PHE A 48 6.362 0.200 -7.290 1.00 0.00 C ATOM 0 H PHE A 48 5.012 2.722 -11.706 1.00 0.00 H new ATOM 0 HA PHE A 48 3.729 0.063 -11.569 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.456 2.742 -10.101 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.441 1.355 -9.760 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.499 -0.725 -8.832 1.00 0.00 H new ATOM 0 HD2 PHE A 48 5.637 2.903 -9.189 1.00 0.00 H new ATOM 0 HE1 PHE A 48 5.196 -1.566 -7.203 1.00 0.00 H new ATOM 0 HE2 PHE A 48 7.336 2.061 -7.558 1.00 0.00 H new ATOM 0 HZ PHE A 48 7.096 -0.164 -6.587 1.00 0.00 H new ATOM 670 N ASP A 49 1.618 0.567 -12.705 1.00 0.00 N ATOM 671 CA ASP A 49 0.434 0.808 -13.511 1.00 0.00 C ATOM 672 C ASP A 49 -0.774 0.996 -12.590 1.00 0.00 C ATOM 673 O ASP A 49 -1.671 0.155 -12.556 1.00 0.00 O ATOM 674 CB ASP A 49 0.143 -0.377 -14.433 1.00 0.00 C ATOM 675 CG ASP A 49 1.376 -1.172 -14.871 1.00 0.00 C ATOM 676 OD1 ASP A 49 2.103 -0.655 -15.748 1.00 0.00 O ATOM 677 OD2 ASP A 49 1.562 -2.278 -14.320 1.00 0.00 O ATOM 0 H ASP A 49 1.752 -0.404 -12.424 1.00 0.00 H new ATOM 0 HA ASP A 49 0.613 1.698 -14.114 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.545 -1.053 -13.926 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.369 -0.009 -15.322 1.00 0.00 H new ATOM 682 N PHE A 50 -0.758 2.106 -11.865 1.00 0.00 N ATOM 683 CA PHE A 50 -1.841 2.415 -10.947 1.00 0.00 C ATOM 684 C PHE A 50 -3.087 2.877 -11.704 1.00 0.00 C ATOM 685 O PHE A 50 -3.223 4.058 -12.021 1.00 0.00 O ATOM 686 CB PHE A 50 -1.353 3.553 -10.048 1.00 0.00 C ATOM 687 CG PHE A 50 -0.277 3.135 -9.043 1.00 0.00 C ATOM 688 CD1 PHE A 50 0.154 1.846 -9.006 1.00 0.00 C ATOM 689 CD2 PHE A 50 0.247 4.054 -8.188 1.00 0.00 C ATOM 690 CE1 PHE A 50 1.153 1.459 -8.073 1.00 0.00 C ATOM 691 CE2 PHE A 50 1.245 3.666 -7.256 1.00 0.00 C ATOM 692 CZ PHE A 50 1.677 2.377 -7.218 1.00 0.00 C ATOM 0 H PHE A 50 -0.012 2.802 -11.895 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.107 1.528 -10.373 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.959 4.354 -10.674 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -2.204 3.963 -9.504 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.263 1.117 -9.685 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.096 5.078 -8.218 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.496 0.435 -8.043 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.662 4.395 -6.577 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.436 2.083 -6.509 1.00 0.00 H new ATOM 702 N SER A 51 -3.966 1.923 -11.971 1.00 0.00 N ATOM 703 CA SER A 51 -5.197 2.217 -12.685 1.00 0.00 C ATOM 704 C SER A 51 -6.132 3.041 -11.799 1.00 0.00 C ATOM 705 O SER A 51 -7.353 2.934 -11.909 1.00 0.00 O ATOM 706 CB SER A 51 -5.892 0.932 -13.139 1.00 0.00 C ATOM 707 OG SER A 51 -6.311 0.133 -12.035 1.00 0.00 O ATOM 0 H SER A 51 -3.850 0.945 -11.706 1.00 0.00 H new ATOM 0 HA SER A 51 -4.946 2.795 -13.574 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.757 1.185 -13.752 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.213 0.355 -13.767 1.00 0.00 H new ATOM 0 HG SER A 51 -6.752 -0.677 -12.366 1.00 0.00 H new ATOM 713 N VAL A 52 -5.524 3.846 -10.939 1.00 0.00 N ATOM 714 CA VAL A 52 -6.287 4.688 -10.034 1.00 0.00 C ATOM 715 C VAL A 52 -5.778 6.127 -10.132 1.00 0.00 C ATOM 716 O VAL A 52 -4.657 6.364 -10.580 1.00 0.00 O ATOM 717 CB VAL A 52 -6.218 4.126 -8.613 1.00 0.00 C ATOM 718 CG1 VAL A 52 -6.629 2.652 -8.586 1.00 0.00 C ATOM 719 CG2 VAL A 52 -4.822 4.317 -8.014 1.00 0.00 C ATOM 0 H VAL A 52 -4.512 3.932 -10.850 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.340 4.695 -10.316 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.925 4.683 -7.998 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.571 2.277 -7.564 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -7.651 2.552 -8.952 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.958 2.075 -9.223 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.801 3.909 -7.004 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.088 3.799 -8.630 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.583 5.380 -7.981 1.00 0.00 H new ATOM 729 N SER A 53 -6.626 7.052 -9.707 1.00 0.00 N ATOM 730 CA SER A 53 -6.277 8.462 -9.742 1.00 0.00 C ATOM 731 C SER A 53 -5.548 8.852 -8.454 1.00 0.00 C ATOM 732 O SER A 53 -5.836 8.315 -7.386 1.00 0.00 O ATOM 733 CB SER A 53 -7.520 9.334 -9.932 1.00 0.00 C ATOM 734 OG SER A 53 -8.009 9.280 -11.270 1.00 0.00 O ATOM 0 H SER A 53 -7.555 6.852 -9.336 1.00 0.00 H new ATOM 0 HA SER A 53 -5.616 8.629 -10.592 1.00 0.00 H new ATOM 0 HB2 SER A 53 -8.301 9.006 -9.247 1.00 0.00 H new ATOM 0 HB3 SER A 53 -7.282 10.366 -9.674 1.00 0.00 H new ATOM 0 HG SER A 53 -8.804 9.848 -11.351 1.00 0.00 H new ATOM 740 N SER A 54 -4.617 9.784 -8.598 1.00 0.00 N ATOM 741 CA SER A 54 -3.845 10.252 -7.460 1.00 0.00 C ATOM 742 C SER A 54 -4.734 11.077 -6.527 1.00 0.00 C ATOM 743 O SER A 54 -5.876 11.386 -6.865 1.00 0.00 O ATOM 744 CB SER A 54 -2.641 11.080 -7.915 1.00 0.00 C ATOM 745 OG SER A 54 -2.930 12.475 -7.938 1.00 0.00 O ATOM 0 H SER A 54 -4.380 10.227 -9.486 1.00 0.00 H new ATOM 0 HA SER A 54 -3.471 9.382 -6.920 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.800 10.895 -7.246 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.334 10.757 -8.910 1.00 0.00 H new ATOM 0 HG SER A 54 -2.136 12.969 -8.232 1.00 0.00 H new ATOM 751 N PRO A 55 -4.163 11.419 -5.342 1.00 0.00 N ATOM 752 CA PRO A 55 -2.805 11.013 -5.020 1.00 0.00 C ATOM 753 C PRO A 55 -2.748 9.527 -4.659 1.00 0.00 C ATOM 754 O PRO A 55 -3.761 8.936 -4.289 1.00 0.00 O ATOM 755 CB PRO A 55 -2.383 11.919 -3.875 1.00 0.00 C ATOM 756 CG PRO A 55 -3.671 12.479 -3.292 1.00 0.00 C ATOM 757 CD PRO A 55 -4.791 12.199 -4.280 1.00 0.00 C ATOM 0 HA PRO A 55 -2.124 11.118 -5.864 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -1.823 11.363 -3.123 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -1.734 12.720 -4.229 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -3.887 12.016 -2.329 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.576 13.551 -3.116 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -5.604 11.646 -3.810 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -5.217 13.124 -4.668 1.00 0.00 H new ATOM 765 N TYR A 56 -1.554 8.966 -4.778 1.00 0.00 N ATOM 766 CA TYR A 56 -1.351 7.561 -4.468 1.00 0.00 C ATOM 767 C TYR A 56 -0.740 7.390 -3.077 1.00 0.00 C ATOM 768 O TYR A 56 0.377 7.838 -2.826 1.00 0.00 O ATOM 769 CB TYR A 56 -0.366 7.037 -5.514 1.00 0.00 C ATOM 770 CG TYR A 56 -0.920 7.025 -6.941 1.00 0.00 C ATOM 771 CD1 TYR A 56 -2.243 6.705 -7.164 1.00 0.00 C ATOM 772 CD2 TYR A 56 -0.095 7.334 -8.003 1.00 0.00 C ATOM 773 CE1 TYR A 56 -2.764 6.695 -8.507 1.00 0.00 C ATOM 774 CE2 TYR A 56 -0.615 7.324 -9.345 1.00 0.00 C ATOM 775 CZ TYR A 56 -1.924 7.005 -9.532 1.00 0.00 C ATOM 776 OH TYR A 56 -2.416 6.994 -10.799 1.00 0.00 O ATOM 0 H TYR A 56 -0.716 9.460 -5.085 1.00 0.00 H new ATOM 0 HA TYR A 56 -2.299 7.024 -4.481 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.534 7.651 -5.490 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -0.068 6.024 -5.242 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -2.888 6.462 -6.332 1.00 0.00 H new ATOM 0 HD2 TYR A 56 0.941 7.583 -7.827 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -3.798 6.447 -8.696 1.00 0.00 H new ATOM 0 HE2 TYR A 56 0.020 7.564 -10.185 1.00 0.00 H new ATOM 0 HH TYR A 56 -3.169 6.369 -10.852 1.00 0.00 H new ATOM 786 N TYR A 57 -1.500 6.739 -2.208 1.00 0.00 N ATOM 787 CA TYR A 57 -1.046 6.501 -0.848 1.00 0.00 C ATOM 788 C TYR A 57 -0.486 5.086 -0.696 1.00 0.00 C ATOM 789 O TYR A 57 -1.085 4.122 -1.171 1.00 0.00 O ATOM 790 CB TYR A 57 -2.284 6.645 0.040 1.00 0.00 C ATOM 791 CG TYR A 57 -2.991 7.995 -0.092 1.00 0.00 C ATOM 792 CD1 TYR A 57 -2.311 9.083 -0.599 1.00 0.00 C ATOM 793 CD2 TYR A 57 -4.309 8.125 0.297 1.00 0.00 C ATOM 794 CE1 TYR A 57 -2.977 10.355 -0.724 1.00 0.00 C ATOM 795 CE2 TYR A 57 -4.974 9.397 0.173 1.00 0.00 C ATOM 796 CZ TYR A 57 -4.275 10.448 -0.331 1.00 0.00 C ATOM 797 OH TYR A 57 -4.904 11.648 -0.448 1.00 0.00 O ATOM 0 H TYR A 57 -2.427 6.369 -2.419 1.00 0.00 H new ATOM 0 HA TYR A 57 -0.254 7.201 -0.580 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.989 5.851 -0.206 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -1.991 6.500 1.080 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -1.279 8.982 -0.902 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -4.842 7.273 0.694 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -2.457 11.214 -1.121 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.005 9.513 0.474 1.00 0.00 H new ATOM 0 HH TYR A 57 -4.534 12.276 0.207 1.00 0.00 H new ATOM 807 N GLU A 58 0.658 5.005 -0.032 1.00 0.00 N ATOM 808 CA GLU A 58 1.306 3.723 0.189 1.00 0.00 C ATOM 809 C GLU A 58 1.080 3.255 1.629 1.00 0.00 C ATOM 810 O GLU A 58 1.321 4.005 2.574 1.00 0.00 O ATOM 811 CB GLU A 58 2.799 3.801 -0.134 1.00 0.00 C ATOM 812 CG GLU A 58 3.474 4.921 0.660 1.00 0.00 C ATOM 813 CD GLU A 58 4.876 5.208 0.119 1.00 0.00 C ATOM 814 OE1 GLU A 58 5.703 4.272 0.161 1.00 0.00 O ATOM 815 OE2 GLU A 58 5.090 6.357 -0.324 1.00 0.00 O ATOM 0 H GLU A 58 1.153 5.806 0.360 1.00 0.00 H new ATOM 0 HA GLU A 58 0.860 2.991 -0.484 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.275 2.848 0.098 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.935 3.974 -1.202 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.868 5.825 0.607 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.536 4.640 1.711 1.00 0.00 H new ATOM 822 N TRP A 59 0.620 2.019 1.750 1.00 0.00 N ATOM 823 CA TRP A 59 0.358 1.442 3.058 1.00 0.00 C ATOM 824 C TRP A 59 0.754 -0.036 3.011 1.00 0.00 C ATOM 825 O TRP A 59 0.707 -0.660 1.952 1.00 0.00 O ATOM 826 CB TRP A 59 -1.098 1.658 3.471 1.00 0.00 C ATOM 827 CG TRP A 59 -1.566 0.742 4.604 1.00 0.00 C ATOM 828 CD1 TRP A 59 -2.150 -0.460 4.506 1.00 0.00 C ATOM 829 CD2 TRP A 59 -1.465 1.005 6.020 1.00 0.00 C ATOM 830 NE1 TRP A 59 -2.431 -0.989 5.749 1.00 0.00 N ATOM 831 CE2 TRP A 59 -2.000 -0.069 6.699 1.00 0.00 C ATOM 832 CE3 TRP A 59 -0.937 2.116 6.704 1.00 0.00 C ATOM 833 CZ2 TRP A 59 -2.062 -0.140 8.097 1.00 0.00 C ATOM 834 CZ3 TRP A 59 -1.006 2.030 8.100 1.00 0.00 C ATOM 835 CH2 TRP A 59 -1.543 0.955 8.798 1.00 0.00 C ATOM 0 H TRP A 59 0.422 1.400 0.964 1.00 0.00 H new ATOM 0 HA TRP A 59 0.954 1.938 3.824 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -1.227 2.695 3.779 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.738 1.501 2.603 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -2.373 -0.953 3.571 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -2.873 -1.889 5.937 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -0.512 2.967 6.193 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -2.487 -0.993 8.606 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -0.615 2.857 8.674 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -1.560 0.964 9.878 1.00 0.00 H new ATOM 846 N PRO A 60 1.145 -0.564 4.200 1.00 0.00 N ATOM 847 CA PRO A 60 1.548 -1.956 4.305 1.00 0.00 C ATOM 848 C PRO A 60 0.333 -2.884 4.253 1.00 0.00 C ATOM 849 O PRO A 60 -0.760 -2.506 4.671 1.00 0.00 O ATOM 850 CB PRO A 60 2.310 -2.048 5.617 1.00 0.00 C ATOM 851 CG PRO A 60 1.908 -0.821 6.419 1.00 0.00 C ATOM 852 CD PRO A 60 1.213 0.146 5.474 1.00 0.00 C ATOM 0 HA PRO A 60 2.175 -2.276 3.473 1.00 0.00 H new ATOM 0 HB2 PRO A 60 2.058 -2.964 6.152 1.00 0.00 H new ATOM 0 HB3 PRO A 60 3.386 -2.066 5.443 1.00 0.00 H new ATOM 0 HG2 PRO A 60 1.243 -1.100 7.236 1.00 0.00 H new ATOM 0 HG3 PRO A 60 2.785 -0.353 6.867 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.218 0.407 5.835 1.00 0.00 H new ATOM 0 HD3 PRO A 60 1.772 1.077 5.379 1.00 0.00 H new ATOM 860 N ILE A 61 0.565 -4.082 3.735 1.00 0.00 N ATOM 861 CA ILE A 61 -0.498 -5.067 3.622 1.00 0.00 C ATOM 862 C ILE A 61 -0.120 -6.312 4.427 1.00 0.00 C ATOM 863 O ILE A 61 0.933 -6.907 4.200 1.00 0.00 O ATOM 864 CB ILE A 61 -0.806 -5.356 2.151 1.00 0.00 C ATOM 865 CG1 ILE A 61 -2.126 -6.116 2.008 1.00 0.00 C ATOM 866 CG2 ILE A 61 0.356 -6.092 1.481 1.00 0.00 C ATOM 867 CD1 ILE A 61 -2.267 -6.710 0.605 1.00 0.00 C ATOM 0 H ILE A 61 1.473 -4.393 3.389 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.424 -4.680 4.048 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.924 -4.404 1.633 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.174 -6.913 2.751 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.960 -5.444 2.208 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.111 -6.285 0.437 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.255 -5.478 1.535 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.531 -7.038 1.993 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.214 -7.245 0.530 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.243 -5.909 -0.133 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.444 -7.400 0.418 1.00 0.00 H new ATOM 879 N LEU A 62 -0.999 -6.669 5.351 1.00 0.00 N ATOM 880 CA LEU A 62 -0.771 -7.832 6.192 1.00 0.00 C ATOM 881 C LEU A 62 -1.386 -9.065 5.526 1.00 0.00 C ATOM 882 O LEU A 62 -2.575 -9.076 5.209 1.00 0.00 O ATOM 883 CB LEU A 62 -1.285 -7.578 7.609 1.00 0.00 C ATOM 884 CG LEU A 62 -0.616 -6.431 8.371 1.00 0.00 C ATOM 885 CD1 LEU A 62 -1.278 -6.217 9.733 1.00 0.00 C ATOM 886 CD2 LEU A 62 0.891 -6.664 8.496 1.00 0.00 C ATOM 0 H LEU A 62 -1.871 -6.173 5.536 1.00 0.00 H new ATOM 0 HA LEU A 62 0.297 -8.024 6.296 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.355 -7.377 7.555 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.162 -8.493 8.188 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.755 -5.513 7.799 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.783 -5.397 10.253 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.331 -5.974 9.592 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.192 -7.127 10.326 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.343 -5.836 9.041 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.072 -7.594 9.034 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.333 -6.728 7.502 1.00 0.00 H new ATOM 898 N SER A 63 -0.550 -10.074 5.334 1.00 0.00 N ATOM 899 CA SER A 63 -0.996 -11.309 4.712 1.00 0.00 C ATOM 900 C SER A 63 -2.209 -11.864 5.462 1.00 0.00 C ATOM 901 O SER A 63 -2.928 -12.716 4.943 1.00 0.00 O ATOM 902 CB SER A 63 0.127 -12.347 4.678 1.00 0.00 C ATOM 903 OG SER A 63 1.376 -11.794 5.083 1.00 0.00 O ATOM 0 H SER A 63 0.435 -10.062 5.598 1.00 0.00 H new ATOM 0 HA SER A 63 -1.281 -11.089 3.683 1.00 0.00 H new ATOM 0 HB2 SER A 63 -0.130 -13.181 5.332 1.00 0.00 H new ATOM 0 HB3 SER A 63 0.219 -12.749 3.669 1.00 0.00 H new ATOM 0 HG SER A 63 2.067 -12.488 5.050 1.00 0.00 H new ATOM 909 N SER A 64 -2.399 -11.358 6.672 1.00 0.00 N ATOM 910 CA SER A 64 -3.511 -11.792 7.498 1.00 0.00 C ATOM 911 C SER A 64 -4.757 -10.965 7.176 1.00 0.00 C ATOM 912 O SER A 64 -5.876 -11.379 7.473 1.00 0.00 O ATOM 913 CB SER A 64 -3.170 -11.680 8.986 1.00 0.00 C ATOM 914 OG SER A 64 -2.583 -12.877 9.491 1.00 0.00 O ATOM 0 H SER A 64 -1.801 -10.651 7.100 1.00 0.00 H new ATOM 0 HA SER A 64 -3.711 -12.840 7.277 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.484 -10.847 9.139 1.00 0.00 H new ATOM 0 HB3 SER A 64 -4.075 -11.455 9.549 1.00 0.00 H new ATOM 0 HG SER A 64 -2.378 -12.765 10.443 1.00 0.00 H new ATOM 920 N GLY A 65 -4.521 -9.808 6.574 1.00 0.00 N ATOM 921 CA GLY A 65 -5.610 -8.918 6.209 1.00 0.00 C ATOM 922 C GLY A 65 -5.988 -8.006 7.377 1.00 0.00 C ATOM 923 O GLY A 65 -7.149 -7.630 7.526 1.00 0.00 O ATOM 0 H GLY A 65 -3.591 -9.467 6.330 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -5.318 -8.313 5.351 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -6.477 -9.504 5.905 1.00 0.00 H new ATOM 927 N ASP A 66 -4.983 -7.675 8.176 1.00 0.00 N ATOM 928 CA ASP A 66 -5.196 -6.814 9.326 1.00 0.00 C ATOM 929 C ASP A 66 -4.599 -5.433 9.042 1.00 0.00 C ATOM 930 O ASP A 66 -4.158 -5.162 7.926 1.00 0.00 O ATOM 931 CB ASP A 66 -4.509 -7.378 10.571 1.00 0.00 C ATOM 932 CG ASP A 66 -5.242 -8.541 11.244 1.00 0.00 C ATOM 933 OD1 ASP A 66 -5.885 -9.312 10.499 1.00 0.00 O ATOM 934 OD2 ASP A 66 -5.142 -8.632 12.486 1.00 0.00 O ATOM 0 H ASP A 66 -4.020 -7.988 8.049 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.269 -6.749 9.504 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.508 -7.710 10.296 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.390 -6.574 11.297 1.00 0.00 H new ATOM 939 N VAL A 67 -4.606 -4.597 10.070 1.00 0.00 N ATOM 940 CA VAL A 67 -4.071 -3.252 9.944 1.00 0.00 C ATOM 941 C VAL A 67 -2.680 -3.200 10.581 1.00 0.00 C ATOM 942 O VAL A 67 -2.551 -3.275 11.802 1.00 0.00 O ATOM 943 CB VAL A 67 -5.046 -2.242 10.551 1.00 0.00 C ATOM 944 CG1 VAL A 67 -4.396 -0.864 10.683 1.00 0.00 C ATOM 945 CG2 VAL A 67 -6.335 -2.164 9.732 1.00 0.00 C ATOM 0 H VAL A 67 -4.974 -4.825 10.994 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.958 -2.982 8.894 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.306 -2.587 11.552 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.111 -0.165 11.117 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.520 -0.935 11.328 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.093 -0.509 9.698 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.011 -1.439 10.185 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.101 -1.855 8.713 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.814 -3.143 9.713 1.00 0.00 H new ATOM 955 N TYR A 68 -1.677 -3.070 9.726 1.00 0.00 N ATOM 956 CA TYR A 68 -0.302 -3.007 10.190 1.00 0.00 C ATOM 957 C TYR A 68 -0.160 -2.020 11.351 1.00 0.00 C ATOM 958 O TYR A 68 -1.104 -1.303 11.680 1.00 0.00 O ATOM 959 CB TYR A 68 0.521 -2.500 9.003 1.00 0.00 C ATOM 960 CG TYR A 68 2.022 -2.402 9.284 1.00 0.00 C ATOM 961 CD1 TYR A 68 2.714 -3.506 9.738 1.00 0.00 C ATOM 962 CD2 TYR A 68 2.684 -1.207 9.083 1.00 0.00 C ATOM 963 CE1 TYR A 68 4.126 -3.413 10.002 1.00 0.00 C ATOM 964 CE2 TYR A 68 4.097 -1.115 9.346 1.00 0.00 C ATOM 965 CZ TYR A 68 4.748 -2.221 9.793 1.00 0.00 C ATOM 966 OH TYR A 68 6.082 -2.134 10.042 1.00 0.00 O ATOM 0 H TYR A 68 -1.789 -3.007 8.714 1.00 0.00 H new ATOM 0 HA TYR A 68 0.029 -3.984 10.542 1.00 0.00 H new ATOM 0 HB2 TYR A 68 0.363 -3.165 8.154 1.00 0.00 H new ATOM 0 HB3 TYR A 68 0.151 -1.517 8.711 1.00 0.00 H new ATOM 0 HD1 TYR A 68 2.196 -4.440 9.895 1.00 0.00 H new ATOM 0 HD2 TYR A 68 2.143 -0.342 8.729 1.00 0.00 H new ATOM 0 HE1 TYR A 68 4.679 -4.270 10.358 1.00 0.00 H new ATOM 0 HE2 TYR A 68 4.628 -0.187 9.191 1.00 0.00 H new ATOM 0 HH TYR A 68 6.340 -2.824 10.689 1.00 0.00 H new ATOM 976 N SER A 69 1.026 -2.017 11.941 1.00 0.00 N ATOM 977 CA SER A 69 1.304 -1.130 13.059 1.00 0.00 C ATOM 978 C SER A 69 2.039 0.118 12.567 1.00 0.00 C ATOM 979 O SER A 69 1.677 1.237 12.925 1.00 0.00 O ATOM 980 CB SER A 69 2.126 -1.841 14.135 1.00 0.00 C ATOM 981 OG SER A 69 3.467 -2.076 13.714 1.00 0.00 O ATOM 0 H SER A 69 1.806 -2.614 11.666 1.00 0.00 H new ATOM 0 HA SER A 69 0.354 -0.832 13.504 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.132 -1.239 15.044 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.653 -2.791 14.384 1.00 0.00 H new ATOM 0 HG SER A 69 3.960 -2.530 14.429 1.00 0.00 H new ATOM 987 N GLY A 70 3.058 -0.117 11.753 1.00 0.00 N ATOM 988 CA GLY A 70 3.848 0.974 11.209 1.00 0.00 C ATOM 989 C GLY A 70 5.344 0.711 11.389 1.00 0.00 C ATOM 990 O GLY A 70 5.753 0.058 12.348 1.00 0.00 O ATOM 0 H GLY A 70 3.354 -1.047 11.457 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.622 1.098 10.150 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.577 1.906 11.705 1.00 0.00 H new ATOM 994 N GLY A 71 6.121 1.232 10.450 1.00 0.00 N ATOM 995 CA GLY A 71 7.564 1.062 10.493 1.00 0.00 C ATOM 996 C GLY A 71 8.040 0.139 9.370 1.00 0.00 C ATOM 997 O GLY A 71 8.110 0.549 8.212 1.00 0.00 O ATOM 0 H GLY A 71 5.779 1.772 9.655 1.00 0.00 H new ATOM 0 HA2 GLY A 71 8.051 2.033 10.402 1.00 0.00 H new ATOM 0 HA3 GLY A 71 7.857 0.648 11.458 1.00 0.00 H new ATOM 1001 N SER A 72 8.356 -1.090 9.752 1.00 0.00 N ATOM 1002 CA SER A 72 8.824 -2.075 8.791 1.00 0.00 C ATOM 1003 C SER A 72 7.788 -3.190 8.638 1.00 0.00 C ATOM 1004 O SER A 72 7.921 -4.253 9.243 1.00 0.00 O ATOM 1005 CB SER A 72 10.173 -2.658 9.214 1.00 0.00 C ATOM 1006 OG SER A 72 10.133 -3.198 10.532 1.00 0.00 O ATOM 0 H SER A 72 8.297 -1.426 10.713 1.00 0.00 H new ATOM 0 HA SER A 72 8.958 -1.579 7.830 1.00 0.00 H new ATOM 0 HB2 SER A 72 10.467 -3.438 8.512 1.00 0.00 H new ATOM 0 HB3 SER A 72 10.935 -1.881 9.164 1.00 0.00 H new ATOM 0 HG SER A 72 9.295 -3.690 10.659 1.00 0.00 H new ATOM 1012 N PRO A 73 6.752 -2.903 7.805 1.00 0.00 N ATOM 1013 CA PRO A 73 5.694 -3.869 7.565 1.00 0.00 C ATOM 1014 C PRO A 73 6.174 -4.988 6.639 1.00 0.00 C ATOM 1015 O PRO A 73 5.527 -5.289 5.636 1.00 0.00 O ATOM 1016 CB PRO A 73 4.549 -3.061 6.977 1.00 0.00 C ATOM 1017 CG PRO A 73 5.167 -1.765 6.478 1.00 0.00 C ATOM 1018 CD PRO A 73 6.561 -1.654 7.072 1.00 0.00 C ATOM 0 HA PRO A 73 5.377 -4.380 8.474 1.00 0.00 H new ATOM 0 HB2 PRO A 73 4.066 -3.602 6.163 1.00 0.00 H new ATOM 0 HB3 PRO A 73 3.783 -2.865 7.728 1.00 0.00 H new ATOM 0 HG2 PRO A 73 5.215 -1.759 5.389 1.00 0.00 H new ATOM 0 HG3 PRO A 73 4.557 -0.912 6.775 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.315 -1.532 6.294 1.00 0.00 H new ATOM 0 HD3 PRO A 73 6.642 -0.791 7.732 1.00 0.00 H new ATOM 1026 N GLY A 74 7.303 -5.575 7.008 1.00 0.00 N ATOM 1027 CA GLY A 74 7.876 -6.655 6.223 1.00 0.00 C ATOM 1028 C GLY A 74 8.347 -6.149 4.857 1.00 0.00 C ATOM 1029 O GLY A 74 9.487 -5.709 4.714 1.00 0.00 O ATOM 0 H GLY A 74 7.836 -5.323 7.840 1.00 0.00 H new ATOM 0 HA2 GLY A 74 8.716 -7.095 6.761 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.136 -7.444 6.087 1.00 0.00 H new ATOM 1033 N ALA A 75 7.447 -6.230 3.889 1.00 0.00 N ATOM 1034 CA ALA A 75 7.756 -5.786 2.540 1.00 0.00 C ATOM 1035 C ALA A 75 6.453 -5.519 1.785 1.00 0.00 C ATOM 1036 O ALA A 75 6.365 -4.571 1.005 1.00 0.00 O ATOM 1037 CB ALA A 75 8.629 -6.833 1.846 1.00 0.00 C ATOM 0 H ALA A 75 6.503 -6.597 4.012 1.00 0.00 H new ATOM 0 HA ALA A 75 8.321 -4.854 2.562 1.00 0.00 H new ATOM 0 HB1 ALA A 75 8.861 -6.500 0.834 1.00 0.00 H new ATOM 0 HB2 ALA A 75 9.555 -6.964 2.406 1.00 0.00 H new ATOM 0 HB3 ALA A 75 8.094 -7.782 1.802 1.00 0.00 H new ATOM 1043 N ASP A 76 5.471 -6.372 2.041 1.00 0.00 N ATOM 1044 CA ASP A 76 4.177 -6.241 1.395 1.00 0.00 C ATOM 1045 C ASP A 76 3.573 -4.880 1.744 1.00 0.00 C ATOM 1046 O ASP A 76 3.559 -4.484 2.909 1.00 0.00 O ATOM 1047 CB ASP A 76 3.210 -7.325 1.874 1.00 0.00 C ATOM 1048 CG ASP A 76 3.793 -8.739 1.917 1.00 0.00 C ATOM 1049 OD1 ASP A 76 4.665 -9.020 1.066 1.00 0.00 O ATOM 1050 OD2 ASP A 76 3.354 -9.507 2.801 1.00 0.00 O ATOM 0 H ASP A 76 5.547 -7.157 2.688 1.00 0.00 H new ATOM 0 HA ASP A 76 4.325 -6.340 0.320 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.859 -7.062 2.872 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.338 -7.328 1.220 1.00 0.00 H new ATOM 1055 N ARG A 77 3.087 -4.202 0.716 1.00 0.00 N ATOM 1056 CA ARG A 77 2.484 -2.893 0.900 1.00 0.00 C ATOM 1057 C ARG A 77 1.439 -2.632 -0.187 1.00 0.00 C ATOM 1058 O ARG A 77 1.589 -3.089 -1.319 1.00 0.00 O ATOM 1059 CB ARG A 77 3.539 -1.787 0.858 1.00 0.00 C ATOM 1060 CG ARG A 77 4.800 -2.204 1.619 1.00 0.00 C ATOM 1061 CD ARG A 77 4.839 -1.567 3.009 1.00 0.00 C ATOM 1062 NE ARG A 77 6.240 -1.315 3.411 1.00 0.00 N ATOM 1063 CZ ARG A 77 7.038 -2.234 3.971 1.00 0.00 C ATOM 1064 NH1 ARG A 77 6.578 -3.473 4.196 1.00 0.00 N ATOM 1065 NH2 ARG A 77 8.297 -1.918 4.304 1.00 0.00 N ATOM 0 H ARG A 77 3.098 -4.534 -0.248 1.00 0.00 H new ATOM 0 HA ARG A 77 2.006 -2.885 1.879 1.00 0.00 H new ATOM 0 HB2 ARG A 77 3.793 -1.561 -0.178 1.00 0.00 H new ATOM 0 HB3 ARG A 77 3.132 -0.874 1.293 1.00 0.00 H new ATOM 0 HG2 ARG A 77 4.830 -3.290 1.712 1.00 0.00 H new ATOM 0 HG3 ARG A 77 5.684 -1.908 1.055 1.00 0.00 H new ATOM 0 HD2 ARG A 77 4.279 -0.632 3.005 1.00 0.00 H new ATOM 0 HD3 ARG A 77 4.357 -2.224 3.733 1.00 0.00 H new ATOM 0 HE ARG A 77 6.623 -0.383 3.252 1.00 0.00 H new ATOM 0 HH11 ARG A 77 5.621 -3.716 3.941 1.00 0.00 H new ATOM 0 HH12 ARG A 77 7.185 -4.173 4.622 1.00 0.00 H new ATOM 0 HH21 ARG A 77 8.649 -0.976 4.131 1.00 0.00 H new ATOM 0 HH22 ARG A 77 8.903 -2.619 4.730 1.00 0.00 H new ATOM 1079 N VAL A 78 0.404 -1.899 0.194 1.00 0.00 N ATOM 1080 CA VAL A 78 -0.665 -1.571 -0.734 1.00 0.00 C ATOM 1081 C VAL A 78 -0.699 -0.058 -0.953 1.00 0.00 C ATOM 1082 O VAL A 78 -0.611 0.713 0.000 1.00 0.00 O ATOM 1083 CB VAL A 78 -1.993 -2.131 -0.222 1.00 0.00 C ATOM 1084 CG1 VAL A 78 -2.088 -3.637 -0.475 1.00 0.00 C ATOM 1085 CG2 VAL A 78 -2.186 -1.812 1.262 1.00 0.00 C ATOM 0 H VAL A 78 0.283 -1.522 1.134 1.00 0.00 H new ATOM 0 HA VAL A 78 -0.484 -2.035 -1.703 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.797 -1.647 -0.777 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.042 -4.009 -0.101 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.017 -3.831 -1.545 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.273 -4.145 0.041 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.138 -2.221 1.601 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -1.374 -2.256 1.838 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.184 -0.731 1.405 1.00 0.00 H new ATOM 1095 N VAL A 79 -0.826 0.323 -2.216 1.00 0.00 N ATOM 1096 CA VAL A 79 -0.873 1.731 -2.573 1.00 0.00 C ATOM 1097 C VAL A 79 -2.288 2.089 -3.032 1.00 0.00 C ATOM 1098 O VAL A 79 -2.923 1.321 -3.753 1.00 0.00 O ATOM 1099 CB VAL A 79 0.194 2.039 -3.625 1.00 0.00 C ATOM 1100 CG1 VAL A 79 0.056 3.473 -4.140 1.00 0.00 C ATOM 1101 CG2 VAL A 79 1.598 1.788 -3.073 1.00 0.00 C ATOM 0 H VAL A 79 -0.898 -0.319 -3.005 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.646 2.353 -1.707 1.00 0.00 H new ATOM 0 HB VAL A 79 0.040 1.363 -4.466 1.00 0.00 H new ATOM 0 HG11 VAL A 79 0.826 3.667 -4.887 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.928 3.605 -4.590 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.171 4.170 -3.310 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.337 2.015 -3.841 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.768 2.427 -2.206 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.691 0.743 -2.777 1.00 0.00 H new ATOM 1111 N PHE A 80 -2.739 3.256 -2.596 1.00 0.00 N ATOM 1112 CA PHE A 80 -4.067 3.726 -2.952 1.00 0.00 C ATOM 1113 C PHE A 80 -4.103 5.253 -3.038 1.00 0.00 C ATOM 1114 O PHE A 80 -3.066 5.895 -3.194 1.00 0.00 O ATOM 1115 CB PHE A 80 -5.017 3.265 -1.845 1.00 0.00 C ATOM 1116 CG PHE A 80 -4.766 3.933 -0.493 1.00 0.00 C ATOM 1117 CD1 PHE A 80 -3.608 3.693 0.180 1.00 0.00 C ATOM 1118 CD2 PHE A 80 -5.700 4.767 0.039 1.00 0.00 C ATOM 1119 CE1 PHE A 80 -3.375 4.312 1.437 1.00 0.00 C ATOM 1120 CE2 PHE A 80 -5.467 5.386 1.295 1.00 0.00 C ATOM 1121 CZ PHE A 80 -4.309 5.146 1.967 1.00 0.00 C ATOM 0 H PHE A 80 -2.208 3.890 -1.999 1.00 0.00 H new ATOM 0 HA PHE A 80 -4.354 3.328 -3.925 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -6.043 3.466 -2.153 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -4.925 2.185 -1.728 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -2.866 3.032 -0.242 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -6.619 4.958 -0.495 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -2.456 4.120 1.972 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -6.209 6.047 1.717 1.00 0.00 H new ATOM 0 HZ PHE A 80 -4.131 5.618 2.922 1.00 0.00 H new ATOM 1131 N ASN A 81 -5.309 5.791 -2.930 1.00 0.00 N ATOM 1132 CA ASN A 81 -5.495 7.230 -2.992 1.00 0.00 C ATOM 1133 C ASN A 81 -6.508 7.656 -1.928 1.00 0.00 C ATOM 1134 O ASN A 81 -6.910 6.849 -1.090 1.00 0.00 O ATOM 1135 CB ASN A 81 -6.038 7.657 -4.358 1.00 0.00 C ATOM 1136 CG ASN A 81 -5.670 6.637 -5.438 1.00 0.00 C ATOM 1137 OD1 ASN A 81 -4.783 6.847 -6.249 1.00 0.00 O ATOM 1138 ND2 ASN A 81 -6.398 5.525 -5.402 1.00 0.00 N ATOM 0 H ASN A 81 -6.167 5.255 -2.800 1.00 0.00 H new ATOM 0 HA ASN A 81 -4.527 7.702 -2.824 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -7.122 7.762 -4.306 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -5.636 8.635 -4.624 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -6.229 4.783 -6.081 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -7.125 5.414 -4.696 1.00 0.00 H new ATOM 1145 N GLU A 82 -6.890 8.923 -1.993 1.00 0.00 N ATOM 1146 CA GLU A 82 -7.847 9.466 -1.045 1.00 0.00 C ATOM 1147 C GLU A 82 -9.277 9.228 -1.538 1.00 0.00 C ATOM 1148 O GLU A 82 -10.226 9.785 -0.991 1.00 0.00 O ATOM 1149 CB GLU A 82 -7.593 10.954 -0.800 1.00 0.00 C ATOM 1150 CG GLU A 82 -8.835 11.634 -0.219 1.00 0.00 C ATOM 1151 CD GLU A 82 -8.473 12.971 0.433 1.00 0.00 C ATOM 1152 OE1 GLU A 82 -7.537 12.964 1.260 1.00 0.00 O ATOM 1153 OE2 GLU A 82 -9.142 13.970 0.088 1.00 0.00 O ATOM 0 H GLU A 82 -6.554 9.589 -2.688 1.00 0.00 H new ATOM 0 HA GLU A 82 -7.720 8.948 -0.094 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.754 11.075 -0.115 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -7.313 11.438 -1.736 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -9.568 11.797 -1.009 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -9.301 10.980 0.518 1.00 0.00 H new ATOM 1160 N ASN A 83 -9.383 8.399 -2.566 1.00 0.00 N ATOM 1161 CA ASN A 83 -10.680 8.080 -3.139 1.00 0.00 C ATOM 1162 C ASN A 83 -11.116 6.693 -2.661 1.00 0.00 C ATOM 1163 O ASN A 83 -12.308 6.388 -2.635 1.00 0.00 O ATOM 1164 CB ASN A 83 -10.617 8.056 -4.667 1.00 0.00 C ATOM 1165 CG ASN A 83 -9.167 8.003 -5.155 1.00 0.00 C ATOM 1166 OD1 ASN A 83 -8.490 9.010 -5.281 1.00 0.00 O ATOM 1167 ND2 ASN A 83 -8.730 6.775 -5.420 1.00 0.00 N ATOM 0 H ASN A 83 -8.592 7.939 -3.017 1.00 0.00 H new ATOM 0 HA ASN A 83 -11.387 8.846 -2.820 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -11.163 7.191 -5.044 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -11.108 8.943 -5.069 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -7.775 6.634 -5.750 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -9.349 5.975 -5.293 1.00 0.00 H new ATOM 1174 N ASN A 84 -10.128 5.890 -2.296 1.00 0.00 N ATOM 1175 CA ASN A 84 -10.396 4.544 -1.821 1.00 0.00 C ATOM 1176 C ASN A 84 -10.029 3.539 -2.916 1.00 0.00 C ATOM 1177 O ASN A 84 -10.545 2.422 -2.936 1.00 0.00 O ATOM 1178 CB ASN A 84 -11.878 4.360 -1.489 1.00 0.00 C ATOM 1179 CG ASN A 84 -12.684 4.025 -2.745 1.00 0.00 C ATOM 1180 OD1 ASN A 84 -13.740 3.415 -2.692 1.00 0.00 O ATOM 1181 ND2 ASN A 84 -12.130 4.456 -3.875 1.00 0.00 N ATOM 0 H ASN A 84 -9.141 6.146 -2.320 1.00 0.00 H new ATOM 0 HA ASN A 84 -9.803 4.380 -0.921 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -11.994 3.562 -0.755 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -12.268 5.271 -1.034 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -12.591 4.282 -4.768 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -11.244 4.961 -3.849 1.00 0.00 H new ATOM 1188 N GLN A 85 -9.142 3.973 -3.800 1.00 0.00 N ATOM 1189 CA GLN A 85 -8.701 3.126 -4.894 1.00 0.00 C ATOM 1190 C GLN A 85 -7.289 2.599 -4.623 1.00 0.00 C ATOM 1191 O GLN A 85 -6.409 3.355 -4.213 1.00 0.00 O ATOM 1192 CB GLN A 85 -8.759 3.877 -6.226 1.00 0.00 C ATOM 1193 CG GLN A 85 -10.199 4.252 -6.582 1.00 0.00 C ATOM 1194 CD GLN A 85 -10.241 5.158 -7.813 1.00 0.00 C ATOM 1195 OE1 GLN A 85 -10.722 4.789 -8.872 1.00 0.00 O ATOM 1196 NE2 GLN A 85 -9.710 6.362 -7.618 1.00 0.00 N ATOM 0 H GLN A 85 -8.717 4.900 -3.780 1.00 0.00 H new ATOM 0 HA GLN A 85 -9.378 2.275 -4.964 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -8.149 4.778 -6.166 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.335 3.257 -7.016 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -10.778 3.348 -6.772 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -10.666 4.758 -5.737 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -9.324 6.608 -6.706 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -9.689 7.040 -8.380 1.00 0.00 H new ATOM 1205 N LEU A 86 -7.118 1.308 -4.863 1.00 0.00 N ATOM 1206 CA LEU A 86 -5.830 0.671 -4.648 1.00 0.00 C ATOM 1207 C LEU A 86 -4.957 0.869 -5.889 1.00 0.00 C ATOM 1208 O LEU A 86 -5.410 0.653 -7.013 1.00 0.00 O ATOM 1209 CB LEU A 86 -6.015 -0.796 -4.255 1.00 0.00 C ATOM 1210 CG LEU A 86 -5.566 -1.830 -5.288 1.00 0.00 C ATOM 1211 CD1 LEU A 86 -5.703 -3.251 -4.737 1.00 0.00 C ATOM 1212 CD2 LEU A 86 -6.319 -1.650 -6.607 1.00 0.00 C ATOM 0 H LEU A 86 -7.850 0.685 -5.204 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.309 1.137 -3.811 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.467 -0.975 -3.330 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -7.070 -0.963 -4.038 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.509 -1.667 -5.497 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -5.377 -3.967 -5.492 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -5.085 -3.357 -3.846 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -6.745 -3.443 -4.481 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.981 -2.398 -7.324 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -7.389 -1.770 -6.435 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -6.125 -0.653 -7.004 1.00 0.00 H new ATOM 1224 N ALA A 87 -3.720 1.276 -5.644 1.00 0.00 N ATOM 1225 CA ALA A 87 -2.779 1.506 -6.728 1.00 0.00 C ATOM 1226 C ALA A 87 -2.296 0.159 -7.271 1.00 0.00 C ATOM 1227 O ALA A 87 -2.203 -0.028 -8.483 1.00 0.00 O ATOM 1228 CB ALA A 87 -1.627 2.380 -6.228 1.00 0.00 C ATOM 0 H ALA A 87 -3.347 1.452 -4.711 1.00 0.00 H new ATOM 0 HA ALA A 87 -3.260 2.039 -7.548 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.922 2.552 -7.041 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.020 3.335 -5.880 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -1.118 1.876 -5.407 1.00 0.00 H new ATOM 1234 N GLY A 88 -1.999 -0.743 -6.347 1.00 0.00 N ATOM 1235 CA GLY A 88 -1.528 -2.066 -6.718 1.00 0.00 C ATOM 1236 C GLY A 88 -1.074 -2.852 -5.486 1.00 0.00 C ATOM 1237 O GLY A 88 -1.793 -2.921 -4.490 1.00 0.00 O ATOM 0 H GLY A 88 -2.075 -0.583 -5.342 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -2.324 -2.609 -7.228 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -0.701 -1.977 -7.422 1.00 0.00 H new ATOM 1241 N VAL A 89 0.115 -3.425 -5.594 1.00 0.00 N ATOM 1242 CA VAL A 89 0.673 -4.203 -4.501 1.00 0.00 C ATOM 1243 C VAL A 89 2.201 -4.182 -4.594 1.00 0.00 C ATOM 1244 O VAL A 89 2.794 -4.999 -5.297 1.00 0.00 O ATOM 1245 CB VAL A 89 0.093 -5.619 -4.516 1.00 0.00 C ATOM 1246 CG1 VAL A 89 0.825 -6.523 -3.524 1.00 0.00 C ATOM 1247 CG2 VAL A 89 -1.410 -5.597 -4.231 1.00 0.00 C ATOM 0 H VAL A 89 0.708 -3.366 -6.422 1.00 0.00 H new ATOM 0 HA VAL A 89 0.399 -3.764 -3.542 1.00 0.00 H new ATOM 0 HB VAL A 89 0.240 -6.031 -5.514 1.00 0.00 H new ATOM 0 HG11 VAL A 89 0.392 -7.523 -3.555 1.00 0.00 H new ATOM 0 HG12 VAL A 89 1.881 -6.576 -3.790 1.00 0.00 H new ATOM 0 HG13 VAL A 89 0.725 -6.116 -2.518 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.798 -6.615 -4.247 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.588 -5.156 -3.250 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -1.916 -5.004 -4.992 1.00 0.00 H new ATOM 1257 N ILE A 90 2.793 -3.242 -3.874 1.00 0.00 N ATOM 1258 CA ILE A 90 4.240 -3.104 -3.866 1.00 0.00 C ATOM 1259 C ILE A 90 4.823 -3.966 -2.746 1.00 0.00 C ATOM 1260 O ILE A 90 4.090 -4.456 -1.888 1.00 0.00 O ATOM 1261 CB ILE A 90 4.637 -1.629 -3.777 1.00 0.00 C ATOM 1262 CG1 ILE A 90 4.281 -1.046 -2.408 1.00 0.00 C ATOM 1263 CG2 ILE A 90 4.017 -0.825 -4.922 1.00 0.00 C ATOM 1264 CD1 ILE A 90 4.153 0.477 -2.477 1.00 0.00 C ATOM 0 H ILE A 90 2.297 -2.567 -3.291 1.00 0.00 H new ATOM 0 HA ILE A 90 4.663 -3.468 -4.802 1.00 0.00 H new ATOM 0 HB ILE A 90 5.720 -1.560 -3.884 1.00 0.00 H new ATOM 0 HG12 ILE A 90 3.344 -1.478 -2.058 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.048 -1.318 -1.683 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.315 0.220 -4.836 1.00 0.00 H new ATOM 0 HG22 ILE A 90 4.363 -1.223 -5.876 1.00 0.00 H new ATOM 0 HG23 ILE A 90 2.931 -0.898 -4.871 1.00 0.00 H new ATOM 0 HD11 ILE A 90 3.899 0.866 -1.491 1.00 0.00 H new ATOM 0 HD12 ILE A 90 5.099 0.907 -2.804 1.00 0.00 H new ATOM 0 HD13 ILE A 90 3.369 0.745 -3.185 1.00 0.00 H new ATOM 1276 N THR A 91 6.138 -4.126 -2.788 1.00 0.00 N ATOM 1277 CA THR A 91 6.829 -4.920 -1.787 1.00 0.00 C ATOM 1278 C THR A 91 8.320 -4.581 -1.773 1.00 0.00 C ATOM 1279 O THR A 91 8.882 -4.192 -2.795 1.00 0.00 O ATOM 1280 CB THR A 91 6.544 -6.396 -2.076 1.00 0.00 C ATOM 1281 OG1 THR A 91 7.679 -7.078 -1.550 1.00 0.00 O ATOM 1282 CG2 THR A 91 6.574 -6.717 -3.571 1.00 0.00 C ATOM 0 H THR A 91 6.743 -3.719 -3.501 1.00 0.00 H new ATOM 0 HA THR A 91 6.467 -4.694 -0.784 1.00 0.00 H new ATOM 0 HB THR A 91 5.569 -6.664 -1.668 1.00 0.00 H new ATOM 0 HG1 THR A 91 7.656 -8.016 -1.831 1.00 0.00 H new ATOM 0 HG21 THR A 91 6.366 -7.776 -3.720 1.00 0.00 H new ATOM 0 HG22 THR A 91 5.819 -6.123 -4.086 1.00 0.00 H new ATOM 0 HG23 THR A 91 7.559 -6.481 -3.974 1.00 0.00 H new ATOM 1290 N HIS A 92 8.920 -4.741 -0.602 1.00 0.00 N ATOM 1291 CA HIS A 92 10.335 -4.456 -0.441 1.00 0.00 C ATOM 1292 C HIS A 92 11.160 -5.584 -1.064 1.00 0.00 C ATOM 1293 O HIS A 92 12.364 -5.678 -0.834 1.00 0.00 O ATOM 1294 CB HIS A 92 10.677 -4.215 1.031 1.00 0.00 C ATOM 1295 CG HIS A 92 10.328 -2.831 1.523 1.00 0.00 C ATOM 1296 ND1 HIS A 92 11.192 -2.069 2.292 1.00 0.00 N ATOM 1297 CD2 HIS A 92 9.203 -2.080 1.350 1.00 0.00 C ATOM 1298 CE1 HIS A 92 10.602 -0.914 2.563 1.00 0.00 C ATOM 1299 NE2 HIS A 92 9.370 -0.923 1.978 1.00 0.00 N ATOM 0 H HIS A 92 8.451 -5.065 0.244 1.00 0.00 H new ATOM 0 HA HIS A 92 10.586 -3.535 -0.968 1.00 0.00 H new ATOM 0 HB2 HIS A 92 10.151 -4.950 1.641 1.00 0.00 H new ATOM 0 HB3 HIS A 92 11.744 -4.384 1.178 1.00 0.00 H new ATOM 0 HD2 HIS A 92 8.325 -2.377 0.796 1.00 0.00 H new ATOM 0 HE1 HIS A 92 11.023 -0.107 3.145 1.00 0.00 H new ATOM 0 HE2 HIS A 92 8.689 -0.165 2.017 1.00 0.00 H new ATOM 1308 N THR A 93 10.478 -6.412 -1.841 1.00 0.00 N ATOM 1309 CA THR A 93 11.132 -7.530 -2.500 1.00 0.00 C ATOM 1310 C THR A 93 12.409 -7.064 -3.201 1.00 0.00 C ATOM 1311 O THR A 93 12.376 -6.697 -4.376 1.00 0.00 O ATOM 1312 CB THR A 93 10.120 -8.180 -3.446 1.00 0.00 C ATOM 1313 OG1 THR A 93 9.521 -9.208 -2.662 1.00 0.00 O ATOM 1314 CG2 THR A 93 10.793 -8.932 -4.596 1.00 0.00 C ATOM 0 H THR A 93 9.479 -6.331 -2.029 1.00 0.00 H new ATOM 0 HA THR A 93 11.452 -8.282 -1.779 1.00 0.00 H new ATOM 0 HB THR A 93 9.458 -7.414 -3.851 1.00 0.00 H new ATOM 0 HG1 THR A 93 8.850 -9.680 -3.198 1.00 0.00 H new ATOM 0 HG21 THR A 93 10.030 -9.374 -5.237 1.00 0.00 H new ATOM 0 HG22 THR A 93 11.400 -8.239 -5.179 1.00 0.00 H new ATOM 0 HG23 THR A 93 11.429 -9.720 -4.193 1.00 0.00 H new ATOM 1322 N GLY A 94 13.501 -7.092 -2.454 1.00 0.00 N ATOM 1323 CA GLY A 94 14.786 -6.676 -2.990 1.00 0.00 C ATOM 1324 C GLY A 94 14.611 -5.585 -4.049 1.00 0.00 C ATOM 1325 O GLY A 94 15.262 -5.617 -5.091 1.00 0.00 O ATOM 0 H GLY A 94 13.523 -7.396 -1.481 1.00 0.00 H new ATOM 0 HA2 GLY A 94 15.418 -6.306 -2.183 1.00 0.00 H new ATOM 0 HA3 GLY A 94 15.297 -7.534 -3.427 1.00 0.00 H new ATOM 1329 N ALA A 95 13.729 -4.646 -3.742 1.00 0.00 N ATOM 1330 CA ALA A 95 13.461 -3.546 -4.654 1.00 0.00 C ATOM 1331 C ALA A 95 14.759 -2.782 -4.922 1.00 0.00 C ATOM 1332 O ALA A 95 14.818 -1.947 -5.822 1.00 0.00 O ATOM 1333 CB ALA A 95 12.367 -2.651 -4.067 1.00 0.00 C ATOM 0 H ALA A 95 13.191 -4.623 -2.876 1.00 0.00 H new ATOM 0 HA ALA A 95 13.097 -3.921 -5.611 1.00 0.00 H new ATOM 0 HB1 ALA A 95 12.166 -1.826 -4.751 1.00 0.00 H new ATOM 0 HB2 ALA A 95 11.457 -3.234 -3.925 1.00 0.00 H new ATOM 0 HB3 ALA A 95 12.698 -2.254 -3.107 1.00 0.00 H new ATOM 1339 N SER A 96 15.768 -3.096 -4.122 1.00 0.00 N ATOM 1340 CA SER A 96 17.062 -2.449 -4.261 1.00 0.00 C ATOM 1341 C SER A 96 17.197 -1.323 -3.235 1.00 0.00 C ATOM 1342 O SER A 96 17.618 -0.218 -3.572 1.00 0.00 O ATOM 1343 CB SER A 96 17.256 -1.903 -5.677 1.00 0.00 C ATOM 1344 OG SER A 96 18.632 -1.724 -5.998 1.00 0.00 O ATOM 0 H SER A 96 15.716 -3.789 -3.376 1.00 0.00 H new ATOM 0 HA SER A 96 17.837 -3.193 -4.078 1.00 0.00 H new ATOM 0 HB2 SER A 96 16.803 -2.587 -6.394 1.00 0.00 H new ATOM 0 HB3 SER A 96 16.735 -0.950 -5.772 1.00 0.00 H new ATOM 0 HG SER A 96 18.712 -1.376 -6.910 1.00 0.00 H new ATOM 1350 N GLY A 97 16.831 -1.642 -2.002 1.00 0.00 N ATOM 1351 CA GLY A 97 16.907 -0.671 -0.925 1.00 0.00 C ATOM 1352 C GLY A 97 15.535 -0.459 -0.280 1.00 0.00 C ATOM 1353 O GLY A 97 14.843 -1.422 0.048 1.00 0.00 O ATOM 0 H GLY A 97 16.481 -2.559 -1.726 1.00 0.00 H new ATOM 0 HA2 GLY A 97 17.618 -1.012 -0.172 1.00 0.00 H new ATOM 0 HA3 GLY A 97 17.282 0.277 -1.311 1.00 0.00 H new ATOM 1357 N ASN A 98 15.182 0.808 -0.119 1.00 0.00 N ATOM 1358 CA ASN A 98 13.905 1.159 0.479 1.00 0.00 C ATOM 1359 C ASN A 98 12.877 1.401 -0.627 1.00 0.00 C ATOM 1360 O ASN A 98 11.790 1.916 -0.368 1.00 0.00 O ATOM 1361 CB ASN A 98 14.018 2.441 1.308 1.00 0.00 C ATOM 1362 CG ASN A 98 12.652 2.868 1.845 1.00 0.00 C ATOM 1363 OD1 ASN A 98 12.363 4.041 2.018 1.00 0.00 O ATOM 1364 ND2 ASN A 98 11.828 1.855 2.099 1.00 0.00 N ATOM 0 H ASN A 98 15.758 1.604 -0.392 1.00 0.00 H new ATOM 0 HA ASN A 98 13.599 0.337 1.126 1.00 0.00 H new ATOM 0 HB2 ASN A 98 14.706 2.282 2.139 1.00 0.00 H new ATOM 0 HB3 ASN A 98 14.437 3.239 0.695 1.00 0.00 H new ATOM 0 HD21 ASN A 98 10.892 2.037 2.461 1.00 0.00 H new ATOM 0 HD22 ASN A 98 12.132 0.896 1.932 1.00 0.00 H new ATOM 1371 N ASN A 99 13.256 1.018 -1.838 1.00 0.00 N ATOM 1372 CA ASN A 99 12.381 1.186 -2.985 1.00 0.00 C ATOM 1373 C ASN A 99 11.274 0.133 -2.936 1.00 0.00 C ATOM 1374 O ASN A 99 11.379 -0.850 -2.202 1.00 0.00 O ATOM 1375 CB ASN A 99 13.149 1.005 -4.296 1.00 0.00 C ATOM 1376 CG ASN A 99 14.403 0.153 -4.083 1.00 0.00 C ATOM 1377 OD1 ASN A 99 15.450 0.388 -4.663 1.00 0.00 O ATOM 1378 ND2 ASN A 99 14.239 -0.845 -3.220 1.00 0.00 N ATOM 0 H ASN A 99 14.158 0.592 -2.049 1.00 0.00 H new ATOM 0 HA ASN A 99 11.966 2.193 -2.947 1.00 0.00 H new ATOM 0 HB2 ASN A 99 12.505 0.532 -5.037 1.00 0.00 H new ATOM 0 HB3 ASN A 99 13.430 1.980 -4.695 1.00 0.00 H new ATOM 0 HD21 ASN A 99 15.017 -1.470 -3.009 1.00 0.00 H new ATOM 0 HD22 ASN A 99 13.335 -0.986 -2.769 1.00 0.00 H new ATOM 1385 N PHE A 100 10.238 0.371 -3.726 1.00 0.00 N ATOM 1386 CA PHE A 100 9.112 -0.546 -3.782 1.00 0.00 C ATOM 1387 C PHE A 100 8.968 -1.153 -5.179 1.00 0.00 C ATOM 1388 O PHE A 100 9.585 -0.680 -6.132 1.00 0.00 O ATOM 1389 CB PHE A 100 7.856 0.267 -3.461 1.00 0.00 C ATOM 1390 CG PHE A 100 7.627 0.493 -1.965 1.00 0.00 C ATOM 1391 CD1 PHE A 100 7.427 -0.568 -1.139 1.00 0.00 C ATOM 1392 CD2 PHE A 100 7.624 1.757 -1.462 1.00 0.00 C ATOM 1393 CE1 PHE A 100 7.216 -0.358 0.249 1.00 0.00 C ATOM 1394 CE2 PHE A 100 7.412 1.967 -0.073 1.00 0.00 C ATOM 1395 CZ PHE A 100 7.212 0.906 0.753 1.00 0.00 C ATOM 0 H PHE A 100 10.154 1.186 -4.333 1.00 0.00 H new ATOM 0 HA PHE A 100 9.261 -1.361 -3.074 1.00 0.00 H new ATOM 0 HB2 PHE A 100 7.925 1.235 -3.958 1.00 0.00 H new ATOM 0 HB3 PHE A 100 6.988 -0.244 -3.878 1.00 0.00 H new ATOM 0 HD1 PHE A 100 7.429 -1.571 -1.539 1.00 0.00 H new ATOM 0 HD2 PHE A 100 7.783 2.600 -2.118 1.00 0.00 H new ATOM 0 HE1 PHE A 100 7.059 -1.201 0.905 1.00 0.00 H new ATOM 0 HE2 PHE A 100 7.410 2.970 0.327 1.00 0.00 H new ATOM 0 HZ PHE A 100 7.050 1.066 1.809 1.00 0.00 H new ATOM 1405 N VAL A 101 8.149 -2.192 -5.256 1.00 0.00 N ATOM 1406 CA VAL A 101 7.917 -2.869 -6.521 1.00 0.00 C ATOM 1407 C VAL A 101 6.664 -3.740 -6.405 1.00 0.00 C ATOM 1408 O VAL A 101 6.453 -4.398 -5.387 1.00 0.00 O ATOM 1409 CB VAL A 101 9.161 -3.662 -6.927 1.00 0.00 C ATOM 1410 CG1 VAL A 101 10.339 -2.726 -7.207 1.00 0.00 C ATOM 1411 CG2 VAL A 101 9.523 -4.697 -5.861 1.00 0.00 C ATOM 0 H VAL A 101 7.638 -2.581 -4.464 1.00 0.00 H new ATOM 0 HA VAL A 101 7.738 -2.144 -7.315 1.00 0.00 H new ATOM 0 HB VAL A 101 8.932 -4.198 -7.848 1.00 0.00 H new ATOM 0 HG11 VAL A 101 11.211 -3.314 -7.494 1.00 0.00 H new ATOM 0 HG12 VAL A 101 10.078 -2.045 -8.017 1.00 0.00 H new ATOM 0 HG13 VAL A 101 10.568 -2.151 -6.310 1.00 0.00 H new ATOM 0 HG21 VAL A 101 10.411 -5.247 -6.174 1.00 0.00 H new ATOM 0 HG22 VAL A 101 9.724 -4.191 -4.916 1.00 0.00 H new ATOM 0 HG23 VAL A 101 8.693 -5.391 -5.731 1.00 0.00 H new ATOM 1421 N GLU A 102 5.866 -3.717 -7.462 1.00 0.00 N ATOM 1422 CA GLU A 102 4.640 -4.496 -7.492 1.00 0.00 C ATOM 1423 C GLU A 102 4.923 -5.946 -7.092 1.00 0.00 C ATOM 1424 O GLU A 102 5.828 -6.577 -7.635 1.00 0.00 O ATOM 1425 CB GLU A 102 3.980 -4.427 -8.871 1.00 0.00 C ATOM 1426 CG GLU A 102 5.008 -4.101 -9.956 1.00 0.00 C ATOM 1427 CD GLU A 102 4.519 -4.563 -11.330 1.00 0.00 C ATOM 1428 OE1 GLU A 102 3.916 -5.656 -11.380 1.00 0.00 O ATOM 1429 OE2 GLU A 102 4.761 -3.812 -12.300 1.00 0.00 O ATOM 0 H GLU A 102 6.045 -3.171 -8.305 1.00 0.00 H new ATOM 0 HA GLU A 102 3.944 -4.069 -6.770 1.00 0.00 H new ATOM 0 HB2 GLU A 102 3.499 -5.379 -9.096 1.00 0.00 H new ATOM 0 HB3 GLU A 102 3.198 -3.668 -8.866 1.00 0.00 H new ATOM 0 HG2 GLU A 102 5.195 -3.027 -9.974 1.00 0.00 H new ATOM 0 HG3 GLU A 102 5.956 -4.585 -9.721 1.00 0.00 H new ATOM 1436 N CYS A 103 4.132 -6.430 -6.146 1.00 0.00 N ATOM 1437 CA CYS A 103 4.286 -7.793 -5.667 1.00 0.00 C ATOM 1438 C CYS A 103 4.242 -8.734 -6.873 1.00 0.00 C ATOM 1439 O CYS A 103 4.774 -9.842 -6.820 1.00 0.00 O ATOM 1440 CB CYS A 103 3.223 -8.150 -4.626 1.00 0.00 C ATOM 1441 SG CYS A 103 3.605 -7.605 -2.922 1.00 0.00 S ATOM 0 H CYS A 103 3.382 -5.903 -5.698 1.00 0.00 H new ATOM 0 HA CYS A 103 5.246 -7.897 -5.161 1.00 0.00 H new ATOM 0 HB2 CYS A 103 2.274 -7.708 -4.930 1.00 0.00 H new ATOM 0 HB3 CYS A 103 3.085 -9.231 -4.624 1.00 0.00 H new ATOM 0 HG CYS A 103 2.697 -8.056 -2.108 1.00 0.00 H new ATOM 1446 N THR A 104 3.603 -8.258 -7.932 1.00 0.00 N ATOM 1447 CA THR A 104 3.484 -9.042 -9.149 1.00 0.00 C ATOM 1448 C THR A 104 3.159 -8.136 -10.338 1.00 0.00 C ATOM 1449 O THR A 104 2.478 -8.554 -11.273 1.00 0.00 O ATOM 1450 CB THR A 104 2.435 -10.130 -8.909 1.00 0.00 C ATOM 1451 OG1 THR A 104 1.373 -9.447 -8.247 1.00 0.00 O ATOM 1452 CG2 THR A 104 2.896 -11.175 -7.892 1.00 0.00 C ATOM 0 H THR A 104 3.162 -7.339 -7.972 1.00 0.00 H new ATOM 0 HA THR A 104 4.427 -9.528 -9.400 1.00 0.00 H new ATOM 0 HB THR A 104 2.200 -10.622 -9.853 1.00 0.00 H new ATOM 0 HG1 THR A 104 0.555 -9.517 -8.783 1.00 0.00 H new ATOM 0 HG21 THR A 104 2.114 -11.923 -7.759 1.00 0.00 H new ATOM 0 HG22 THR A 104 3.804 -11.659 -8.253 1.00 0.00 H new ATOM 0 HG23 THR A 104 3.099 -10.689 -6.938 1.00 0.00 H new TER 1460 THR A 104