USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 674 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 NoAdj-H: A 81 ASNHD22 : A 81 ASN ND2 : A 85 GLN CG :(H bumps) USER MOD Set 1.1: A 91 THR OG1 : rot 180:sc= 0.547 USER MOD Set 1.2: A 93 THR OG1 : rot 180:sc= 0.007 USER MOD Set 2.1: A 92 HIS : no HD1:sc= -6.71! C(o=-8.8!,f=-12!) USER MOD Set 2.2: A 98 ASN :FLIP amide:sc= -2.1! C(o=-11!,f=-8.8!) USER MOD Set 3.1: A 83 ASN :FLIP amide:sc= -5.11! C(o=-16!,f=-5.9!) USER MOD Set 3.2: A 84 ASN : amide:sc= -0.827 K(o=-5.9,f=-6.7!) USER MOD Set 4.1: A 27 HIS : no HE2:sc= -12.2! C(o=-13!,f=-19!) USER MOD Set 4.2: A 57 TYR OH : rot -129:sc= -0.425! USER MOD Set 5.1: A 36 ASN : amide:sc= 0.0443! C(o=0.06!,f=-3.1!) USER MOD Set 5.2: A 38 TYR OH : rot 180:sc= 0.0158 USER MOD Set 6.1: A 6 CYS SG : rot -29:sc= -22.1! USER MOD Set 6.2: A 9 ASN :FLIP amide:sc= -22.6! C(o=-93!,f=-91!) USER MOD Set 6.3: A 11 TYR OH : rot 22:sc= -9.07! USER MOD Set 6.4: A 103 CYS SG : rot 177:sc= -37.2! USER MOD Set 7.1: A 2 CYS SG : rot 3:sc= 0.814 USER MOD Set 7.2: A 10 CYS SG : rot -99:sc= -6.91! USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot -83:sc= 0.604 USER MOD Single : A 8 SER OG : rot 62:sc= 1.13 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0.0072 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= -19.1! C(o=-19!,f=-25!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 56:sc= -7.37! USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 HIS :FLIP+bothHN:sc= -5.68! C(o=-7.3!,f=-5.7!) USER MOD Single : A 41 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.124) USER MOD Single : A 42 TYR OH : rot 48:sc= -4.74! USER MOD Single : A 43 ASN : amide:sc= -0.299 X(o=-0.3,f=0) USER MOD Single : A 44 ASN :FLIP amide:sc= -1.75! C(o=-4.8!,f=-1.8!) 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 180:sc= 0 USER MOD Single : A 63 SER OG : rot -16:sc= 0.0987 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot -28:sc= -13.8! USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -81.1! C(o=-81!,f=-85!) USER MOD Single : A 96 SER OG : rot -50:sc= 0.166 USER MOD Single : A 99 ASN :FLIP amide:sc= -3.8! C(o=-5.9!,f=-3.8!) USER MOD Single : A 104 THR OG1 : rot -70:sc= 0.553 USER MOD ----------------------------------------------------------------- ATOM 11 N CYS A 2 -6.766 -13.940 -5.414 1.00 0.00 N ATOM 12 CA CYS A 2 -5.358 -13.602 -5.287 1.00 0.00 C ATOM 13 C CYS A 2 -4.840 -13.172 -6.661 1.00 0.00 C ATOM 14 O CYS A 2 -4.869 -13.953 -7.611 1.00 0.00 O ATOM 15 CB CYS A 2 -4.546 -14.764 -4.710 1.00 0.00 C ATOM 16 SG CYS A 2 -5.485 -16.321 -4.493 1.00 0.00 S ATOM 0 HA CYS A 2 -5.243 -12.779 -4.582 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -3.697 -14.956 -5.365 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -4.141 -14.462 -3.744 1.00 0.00 H new ATOM 0 HG CYS A 2 -6.698 -16.161 -4.933 1.00 0.00 H new ATOM 21 N ASP A 3 -4.381 -11.931 -6.724 1.00 0.00 N ATOM 22 CA ASP A 3 -3.859 -11.387 -7.966 1.00 0.00 C ATOM 23 C ASP A 3 -2.554 -10.641 -7.682 1.00 0.00 C ATOM 24 O ASP A 3 -1.840 -10.257 -8.608 1.00 0.00 O ATOM 25 CB ASP A 3 -4.843 -10.398 -8.592 1.00 0.00 C ATOM 26 CG ASP A 3 -5.770 -10.992 -9.654 1.00 0.00 C ATOM 27 OD1 ASP A 3 -6.276 -12.108 -9.407 1.00 0.00 O ATOM 28 OD2 ASP A 3 -5.951 -10.317 -10.690 1.00 0.00 O ATOM 0 H ASP A 3 -4.360 -11.286 -5.934 1.00 0.00 H new ATOM 0 HA ASP A 3 -3.696 -12.216 -8.654 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -5.454 -9.965 -7.799 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -4.278 -9.581 -9.041 1.00 0.00 H new ATOM 33 N TYR A 4 -2.282 -10.458 -6.398 1.00 0.00 N ATOM 34 CA TYR A 4 -1.075 -9.764 -5.981 1.00 0.00 C ATOM 35 C TYR A 4 -0.307 -10.577 -4.937 1.00 0.00 C ATOM 36 O TYR A 4 -0.608 -10.508 -3.747 1.00 0.00 O ATOM 37 CB TYR A 4 -1.541 -8.453 -5.346 1.00 0.00 C ATOM 38 CG TYR A 4 -2.263 -7.514 -6.314 1.00 0.00 C ATOM 39 CD1 TYR A 4 -1.542 -6.793 -7.245 1.00 0.00 C ATOM 40 CD2 TYR A 4 -3.637 -7.388 -6.259 1.00 0.00 C ATOM 41 CE1 TYR A 4 -2.223 -5.910 -8.156 1.00 0.00 C ATOM 42 CE2 TYR A 4 -4.316 -6.505 -7.170 1.00 0.00 C ATOM 43 CZ TYR A 4 -3.576 -5.810 -8.074 1.00 0.00 C ATOM 44 OH TYR A 4 -4.218 -4.975 -8.935 1.00 0.00 O ATOM 0 H TYR A 4 -2.876 -10.778 -5.633 1.00 0.00 H new ATOM 0 HA TYR A 4 -0.411 -9.605 -6.831 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -2.206 -8.681 -4.513 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -0.676 -7.935 -4.931 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -0.467 -6.891 -7.290 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -4.202 -7.952 -5.532 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -1.671 -5.340 -8.888 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -5.390 -6.397 -7.136 1.00 0.00 H new ATOM 0 HH TYR A 4 -5.182 -5.005 -8.762 1.00 0.00 H new ATOM 54 N THR A 5 0.670 -11.330 -5.422 1.00 0.00 N ATOM 55 CA THR A 5 1.482 -12.156 -4.546 1.00 0.00 C ATOM 56 C THR A 5 2.848 -11.507 -4.316 1.00 0.00 C ATOM 57 O THR A 5 3.713 -11.545 -5.190 1.00 0.00 O ATOM 58 CB THR A 5 1.570 -13.554 -5.161 1.00 0.00 C ATOM 59 OG1 THR A 5 0.256 -14.084 -5.009 1.00 0.00 O ATOM 60 CG2 THR A 5 2.451 -14.500 -4.343 1.00 0.00 C ATOM 0 H THR A 5 0.917 -11.385 -6.410 1.00 0.00 H new ATOM 0 HA THR A 5 1.030 -12.248 -3.558 1.00 0.00 H new ATOM 0 HB THR A 5 1.962 -13.480 -6.175 1.00 0.00 H new ATOM 0 HG1 THR A 5 0.154 -14.451 -4.106 1.00 0.00 H new ATOM 0 HG21 THR A 5 2.479 -15.478 -4.824 1.00 0.00 H new ATOM 0 HG22 THR A 5 3.462 -14.096 -4.284 1.00 0.00 H new ATOM 0 HG23 THR A 5 2.041 -14.601 -3.338 1.00 0.00 H new ATOM 68 N CYS A 6 3.000 -10.925 -3.135 1.00 0.00 N ATOM 69 CA CYS A 6 4.247 -10.268 -2.779 1.00 0.00 C ATOM 70 C CYS A 6 5.232 -11.335 -2.298 1.00 0.00 C ATOM 71 O CYS A 6 5.596 -11.363 -1.123 1.00 0.00 O ATOM 72 CB CYS A 6 4.030 -9.176 -1.730 1.00 0.00 C ATOM 73 SG CYS A 6 3.497 -7.559 -2.403 1.00 0.00 S ATOM 0 H CYS A 6 2.281 -10.895 -2.413 1.00 0.00 H new ATOM 0 HA CYS A 6 4.659 -9.764 -3.653 1.00 0.00 H new ATOM 0 HB2 CYS A 6 3.282 -9.521 -1.016 1.00 0.00 H new ATOM 0 HB3 CYS A 6 4.958 -9.035 -1.176 1.00 0.00 H new ATOM 0 HG CYS A 6 3.968 -7.413 -3.606 1.00 0.00 H new ATOM 78 N GLY A 7 5.635 -12.186 -3.229 1.00 0.00 N ATOM 79 CA GLY A 7 6.571 -13.252 -2.914 1.00 0.00 C ATOM 80 C GLY A 7 5.909 -14.324 -2.047 1.00 0.00 C ATOM 81 O GLY A 7 5.917 -15.503 -2.397 1.00 0.00 O ATOM 0 H GLY A 7 5.331 -12.159 -4.202 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.940 -13.701 -3.836 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.435 -12.840 -2.393 1.00 0.00 H new ATOM 85 N SER A 8 5.351 -13.877 -0.933 1.00 0.00 N ATOM 86 CA SER A 8 4.686 -14.784 -0.012 1.00 0.00 C ATOM 87 C SER A 8 3.322 -14.218 0.386 1.00 0.00 C ATOM 88 O SER A 8 3.024 -14.081 1.572 1.00 0.00 O ATOM 89 CB SER A 8 5.541 -15.030 1.233 1.00 0.00 C ATOM 90 OG SER A 8 5.336 -14.032 2.228 1.00 0.00 O ATOM 0 H SER A 8 5.345 -12.898 -0.646 1.00 0.00 H new ATOM 0 HA SER A 8 4.543 -15.739 -0.517 1.00 0.00 H new ATOM 0 HB2 SER A 8 5.303 -16.010 1.648 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.594 -15.050 0.951 1.00 0.00 H new ATOM 0 HG SER A 8 4.400 -14.047 2.519 1.00 0.00 H new ATOM 96 N ASN A 9 2.529 -13.903 -0.628 1.00 0.00 N ATOM 97 CA ASN A 9 1.203 -13.354 -0.399 1.00 0.00 C ATOM 98 C ASN A 9 0.228 -13.946 -1.418 1.00 0.00 C ATOM 99 O ASN A 9 0.604 -14.802 -2.218 1.00 0.00 O ATOM 100 CB ASN A 9 1.198 -11.834 -0.568 1.00 0.00 C ATOM 101 CG ASN A 9 2.277 -11.183 0.301 1.00 0.00 C ATOM 102 OD1 ASN A 9 3.519 -11.513 -0.041 1.00 0.00 O flip ATOM 103 ND2 ASN A 9 1.999 -10.431 1.220 1.00 0.00 N flip ATOM 0 H ASN A 9 2.779 -14.018 -1.610 1.00 0.00 H new ATOM 0 HA ASN A 9 0.907 -13.604 0.620 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.366 -11.580 -1.615 1.00 0.00 H new ATOM 0 HB3 ASN A 9 0.219 -11.437 -0.297 1.00 0.00 H new ATOM 0 HD21 ASN A 9 1.023 -10.220 1.429 1.00 0.00 H new ATOM 0 HD22 ASN A 9 2.742 -10.013 1.780 1.00 0.00 H new ATOM 110 N CYS A 10 -1.006 -13.468 -1.356 1.00 0.00 N ATOM 111 CA CYS A 10 -2.038 -13.939 -2.265 1.00 0.00 C ATOM 112 C CYS A 10 -3.316 -13.143 -1.994 1.00 0.00 C ATOM 113 O CYS A 10 -4.358 -13.720 -1.688 1.00 0.00 O ATOM 114 CB CYS A 10 -2.265 -15.446 -2.130 1.00 0.00 C ATOM 115 SG CYS A 10 -2.477 -16.335 -3.715 1.00 0.00 S ATOM 0 H CYS A 10 -1.315 -12.759 -0.691 1.00 0.00 H new ATOM 0 HA CYS A 10 -1.721 -13.776 -3.295 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.420 -15.880 -1.596 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -3.150 -15.612 -1.515 1.00 0.00 H new ATOM 0 HG CYS A 10 -3.743 -16.521 -3.942 1.00 0.00 H new ATOM 120 N TYR A 11 -3.195 -11.830 -2.117 1.00 0.00 N ATOM 121 CA TYR A 11 -4.327 -10.948 -1.889 1.00 0.00 C ATOM 122 C TYR A 11 -4.575 -10.050 -3.102 1.00 0.00 C ATOM 123 O TYR A 11 -3.891 -9.044 -3.284 1.00 0.00 O ATOM 124 CB TYR A 11 -3.948 -10.075 -0.692 1.00 0.00 C ATOM 125 CG TYR A 11 -2.454 -9.755 -0.602 1.00 0.00 C ATOM 126 CD1 TYR A 11 -1.740 -9.468 -1.748 1.00 0.00 C ATOM 127 CD2 TYR A 11 -1.820 -9.756 0.624 1.00 0.00 C ATOM 128 CE1 TYR A 11 -0.334 -9.168 -1.664 1.00 0.00 C ATOM 129 CE2 TYR A 11 -0.414 -9.456 0.708 1.00 0.00 C ATOM 130 CZ TYR A 11 0.259 -9.177 -0.440 1.00 0.00 C ATOM 131 OH TYR A 11 1.587 -8.893 -0.361 1.00 0.00 O ATOM 0 H TYR A 11 -2.329 -11.355 -2.372 1.00 0.00 H new ATOM 0 HA TYR A 11 -5.234 -11.526 -1.714 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -4.506 -9.140 -0.746 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -4.257 -10.579 0.224 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -2.236 -9.468 -2.707 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -2.378 -9.982 1.520 1.00 0.00 H new ATOM 0 HE1 TYR A 11 0.236 -8.941 -2.553 1.00 0.00 H new ATOM 0 HE2 TYR A 11 0.094 -9.453 1.661 1.00 0.00 H new ATOM 0 HH TYR A 11 1.860 -8.381 -1.151 1.00 0.00 H new ATOM 141 N SER A 12 -5.555 -10.446 -3.900 1.00 0.00 N ATOM 142 CA SER A 12 -5.902 -9.689 -5.092 1.00 0.00 C ATOM 143 C SER A 12 -6.409 -8.300 -4.700 1.00 0.00 C ATOM 144 O SER A 12 -6.509 -7.983 -3.516 1.00 0.00 O ATOM 145 CB SER A 12 -6.956 -10.423 -5.924 1.00 0.00 C ATOM 146 OG SER A 12 -8.157 -10.641 -5.190 1.00 0.00 O ATOM 0 H SER A 12 -6.120 -11.281 -3.745 1.00 0.00 H new ATOM 0 HA SER A 12 -5.005 -9.583 -5.703 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.179 -9.844 -6.820 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.554 -11.381 -6.255 1.00 0.00 H new ATOM 0 HG SER A 12 -8.805 -11.110 -5.755 1.00 0.00 H new ATOM 152 N SER A 13 -6.717 -7.508 -5.717 1.00 0.00 N ATOM 153 CA SER A 13 -7.212 -6.160 -5.493 1.00 0.00 C ATOM 154 C SER A 13 -8.385 -6.189 -4.512 1.00 0.00 C ATOM 155 O SER A 13 -8.747 -5.162 -3.942 1.00 0.00 O ATOM 156 CB SER A 13 -7.636 -5.504 -6.808 1.00 0.00 C ATOM 157 OG SER A 13 -8.164 -6.453 -7.732 1.00 0.00 O ATOM 0 H SER A 13 -6.633 -7.774 -6.698 1.00 0.00 H new ATOM 0 HA SER A 13 -6.404 -5.566 -5.065 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.385 -4.739 -6.606 1.00 0.00 H new ATOM 0 HB3 SER A 13 -6.779 -5.001 -7.255 1.00 0.00 H new ATOM 0 HG SER A 13 -8.425 -5.995 -8.558 1.00 0.00 H new ATOM 163 N SER A 14 -8.944 -7.378 -4.344 1.00 0.00 N ATOM 164 CA SER A 14 -10.070 -7.555 -3.440 1.00 0.00 C ATOM 165 C SER A 14 -9.567 -7.703 -2.003 1.00 0.00 C ATOM 166 O SER A 14 -10.268 -7.345 -1.056 1.00 0.00 O ATOM 167 CB SER A 14 -10.909 -8.771 -3.837 1.00 0.00 C ATOM 168 OG SER A 14 -12.056 -8.922 -3.005 1.00 0.00 O ATOM 0 H SER A 14 -8.639 -8.228 -4.818 1.00 0.00 H new ATOM 0 HA SER A 14 -10.706 -6.672 -3.507 1.00 0.00 H new ATOM 0 HB2 SER A 14 -11.225 -8.670 -4.875 1.00 0.00 H new ATOM 0 HB3 SER A 14 -10.296 -9.670 -3.776 1.00 0.00 H new ATOM 0 HG SER A 14 -12.566 -9.708 -3.291 1.00 0.00 H new ATOM 174 N ASP A 15 -8.359 -8.231 -1.883 1.00 0.00 N ATOM 175 CA ASP A 15 -7.755 -8.432 -0.576 1.00 0.00 C ATOM 176 C ASP A 15 -7.092 -7.130 -0.122 1.00 0.00 C ATOM 177 O ASP A 15 -7.190 -6.754 1.045 1.00 0.00 O ATOM 178 CB ASP A 15 -6.679 -9.518 -0.627 1.00 0.00 C ATOM 179 CG ASP A 15 -7.171 -10.931 -0.307 1.00 0.00 C ATOM 180 OD1 ASP A 15 -8.118 -11.371 -0.995 1.00 0.00 O ATOM 181 OD2 ASP A 15 -6.590 -11.539 0.618 1.00 0.00 O ATOM 0 H ASP A 15 -7.781 -8.526 -2.670 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.540 -8.736 0.116 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.234 -9.521 -1.622 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.887 -9.257 0.075 1.00 0.00 H new ATOM 186 N VAL A 16 -6.430 -6.479 -1.067 1.00 0.00 N ATOM 187 CA VAL A 16 -5.750 -5.227 -0.777 1.00 0.00 C ATOM 188 C VAL A 16 -6.748 -4.238 -0.171 1.00 0.00 C ATOM 189 O VAL A 16 -6.450 -3.582 0.827 1.00 0.00 O ATOM 190 CB VAL A 16 -5.075 -4.694 -2.043 1.00 0.00 C ATOM 191 CG1 VAL A 16 -4.423 -3.334 -1.784 1.00 0.00 C ATOM 192 CG2 VAL A 16 -4.055 -5.697 -2.584 1.00 0.00 C ATOM 0 H VAL A 16 -6.350 -6.794 -2.034 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.960 -5.382 -0.043 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.845 -4.558 -2.802 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.950 -2.977 -2.699 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.183 -2.621 -1.466 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.670 -3.434 -1.002 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.590 -5.294 -3.484 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.289 -5.879 -1.830 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.558 -6.634 -2.824 1.00 0.00 H new ATOM 202 N SER A 17 -7.913 -4.162 -0.798 1.00 0.00 N ATOM 203 CA SER A 17 -8.956 -3.264 -0.332 1.00 0.00 C ATOM 204 C SER A 17 -8.959 -3.214 1.197 1.00 0.00 C ATOM 205 O SER A 17 -8.942 -2.134 1.786 1.00 0.00 O ATOM 206 CB SER A 17 -10.329 -3.699 -0.851 1.00 0.00 C ATOM 207 OG SER A 17 -11.362 -2.810 -0.435 1.00 0.00 O ATOM 0 H SER A 17 -8.157 -4.707 -1.625 1.00 0.00 H new ATOM 0 HA SER A 17 -8.748 -2.267 -0.721 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.307 -3.746 -1.940 1.00 0.00 H new ATOM 0 HB3 SER A 17 -10.550 -4.705 -0.493 1.00 0.00 H new ATOM 0 HG SER A 17 -12.222 -3.120 -0.787 1.00 0.00 H new ATOM 213 N THR A 18 -8.981 -4.396 1.796 1.00 0.00 N ATOM 214 CA THR A 18 -8.985 -4.499 3.246 1.00 0.00 C ATOM 215 C THR A 18 -7.866 -3.646 3.845 1.00 0.00 C ATOM 216 O THR A 18 -8.118 -2.795 4.698 1.00 0.00 O ATOM 217 CB THR A 18 -8.884 -5.981 3.614 1.00 0.00 C ATOM 218 OG1 THR A 18 -10.240 -6.412 3.696 1.00 0.00 O ATOM 219 CG2 THR A 18 -8.338 -6.197 5.027 1.00 0.00 C ATOM 0 H THR A 18 -8.996 -5.290 1.304 1.00 0.00 H new ATOM 0 HA THR A 18 -9.910 -4.106 3.668 1.00 0.00 H new ATOM 0 HB THR A 18 -8.243 -6.491 2.895 1.00 0.00 H new ATOM 0 HG1 THR A 18 -10.267 -7.364 3.929 1.00 0.00 H new ATOM 0 HG21 THR A 18 -8.287 -7.265 5.238 1.00 0.00 H new ATOM 0 HG22 THR A 18 -7.341 -5.764 5.102 1.00 0.00 H new ATOM 0 HG23 THR A 18 -8.997 -5.716 5.749 1.00 0.00 H new ATOM 227 N ALA A 19 -6.654 -3.902 3.376 1.00 0.00 N ATOM 228 CA ALA A 19 -5.495 -3.168 3.856 1.00 0.00 C ATOM 229 C ALA A 19 -5.712 -1.672 3.622 1.00 0.00 C ATOM 230 O ALA A 19 -5.395 -0.853 4.484 1.00 0.00 O ATOM 231 CB ALA A 19 -4.236 -3.691 3.161 1.00 0.00 C ATOM 0 H ALA A 19 -6.449 -4.608 2.668 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.362 -3.318 4.927 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.367 -3.141 3.521 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.112 -4.751 3.383 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.332 -3.554 2.084 1.00 0.00 H new ATOM 237 N GLN A 20 -6.251 -1.361 2.452 1.00 0.00 N ATOM 238 CA GLN A 20 -6.514 0.023 2.094 1.00 0.00 C ATOM 239 C GLN A 20 -7.442 0.671 3.124 1.00 0.00 C ATOM 240 O GLN A 20 -7.110 1.706 3.698 1.00 0.00 O ATOM 241 CB GLN A 20 -7.104 0.122 0.686 1.00 0.00 C ATOM 242 CG GLN A 20 -6.282 -0.697 -0.312 1.00 0.00 C ATOM 243 CD GLN A 20 -7.079 -0.965 -1.590 1.00 0.00 C ATOM 244 OE1 GLN A 20 -7.192 -2.085 -2.059 1.00 0.00 O ATOM 245 NE2 GLN A 20 -7.624 0.124 -2.125 1.00 0.00 N ATOM 0 H GLN A 20 -6.513 -2.043 1.740 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.568 0.564 2.095 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -8.134 -0.235 0.694 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -7.130 1.165 0.371 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.364 -0.163 -0.557 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -5.989 -1.643 0.143 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -7.490 1.032 -1.681 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -8.176 0.051 -2.980 1.00 0.00 H new ATOM 254 N ALA A 21 -8.586 0.034 3.326 1.00 0.00 N ATOM 255 CA ALA A 21 -9.563 0.536 4.277 1.00 0.00 C ATOM 256 C ALA A 21 -8.836 1.155 5.472 1.00 0.00 C ATOM 257 O ALA A 21 -9.281 2.162 6.020 1.00 0.00 O ATOM 258 CB ALA A 21 -10.502 -0.600 4.691 1.00 0.00 C ATOM 0 H ALA A 21 -8.858 -0.825 2.848 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.174 1.316 3.823 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.235 -0.224 5.405 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -11.017 -0.986 3.811 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.924 -1.400 5.153 1.00 0.00 H new ATOM 264 N ALA A 22 -7.728 0.528 5.840 1.00 0.00 N ATOM 265 CA ALA A 22 -6.934 1.005 6.959 1.00 0.00 C ATOM 266 C ALA A 22 -6.159 2.254 6.533 1.00 0.00 C ATOM 267 O ALA A 22 -6.240 3.292 7.188 1.00 0.00 O ATOM 268 CB ALA A 22 -6.012 -0.115 7.446 1.00 0.00 C ATOM 0 H ALA A 22 -7.362 -0.307 5.382 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.577 1.284 7.794 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.416 0.243 8.286 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.612 -0.968 7.764 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.350 -0.420 6.635 1.00 0.00 H new ATOM 274 N GLY A 23 -5.427 2.112 5.438 1.00 0.00 N ATOM 275 CA GLY A 23 -4.639 3.217 4.918 1.00 0.00 C ATOM 276 C GLY A 23 -5.490 4.479 4.776 1.00 0.00 C ATOM 277 O GLY A 23 -5.031 5.579 5.082 1.00 0.00 O ATOM 0 H GLY A 23 -5.363 1.250 4.897 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.799 3.414 5.584 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.221 2.945 3.949 1.00 0.00 H new ATOM 281 N TYR A 24 -6.715 4.280 4.314 1.00 0.00 N ATOM 282 CA TYR A 24 -7.635 5.389 4.128 1.00 0.00 C ATOM 283 C TYR A 24 -8.141 5.913 5.473 1.00 0.00 C ATOM 284 O TYR A 24 -7.802 7.023 5.878 1.00 0.00 O ATOM 285 CB TYR A 24 -8.818 4.828 3.335 1.00 0.00 C ATOM 286 CG TYR A 24 -9.932 5.844 3.076 1.00 0.00 C ATOM 287 CD1 TYR A 24 -9.617 7.169 2.850 1.00 0.00 C ATOM 288 CD2 TYR A 24 -11.250 5.437 3.068 1.00 0.00 C ATOM 289 CE1 TYR A 24 -10.665 8.126 2.606 1.00 0.00 C ATOM 290 CE2 TYR A 24 -12.298 6.394 2.823 1.00 0.00 C ATOM 291 CZ TYR A 24 -11.954 7.691 2.605 1.00 0.00 C ATOM 292 OH TYR A 24 -12.943 8.595 2.374 1.00 0.00 O ATOM 0 H TYR A 24 -7.092 3.366 4.063 1.00 0.00 H new ATOM 0 HA TYR A 24 -7.142 6.215 3.615 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -8.455 4.451 2.379 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -9.234 3.978 3.876 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -8.585 7.488 2.856 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -11.496 4.400 3.245 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -10.433 9.166 2.428 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -13.334 6.088 2.813 1.00 0.00 H new ATOM 0 HH TYR A 24 -13.812 8.143 2.402 1.00 0.00 H new ATOM 302 N LYS A 25 -8.946 5.089 6.129 1.00 0.00 N ATOM 303 CA LYS A 25 -9.501 5.455 7.420 1.00 0.00 C ATOM 304 C LYS A 25 -8.472 6.278 8.199 1.00 0.00 C ATOM 305 O LYS A 25 -8.759 7.396 8.622 1.00 0.00 O ATOM 306 CB LYS A 25 -9.987 4.211 8.167 1.00 0.00 C ATOM 307 CG LYS A 25 -9.850 4.391 9.680 1.00 0.00 C ATOM 308 CD LYS A 25 -8.442 4.019 10.152 1.00 0.00 C ATOM 309 CE LYS A 25 -8.498 3.020 11.309 1.00 0.00 C ATOM 310 NZ LYS A 25 -8.536 1.633 10.795 1.00 0.00 N ATOM 0 H LYS A 25 -9.227 4.169 5.790 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.381 6.085 7.291 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.029 4.014 7.914 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.411 3.342 7.847 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.066 5.425 9.948 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.585 3.770 10.192 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -7.878 3.590 9.323 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.911 4.917 10.468 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -7.629 3.152 11.953 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -9.380 3.212 11.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -8.574 0.968 11.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -9.379 1.507 10.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -7.682 1.448 10.231 1.00 0.00 H new ATOM 324 N LEU A 26 -7.296 5.691 8.365 1.00 0.00 N ATOM 325 CA LEU A 26 -6.223 6.355 9.085 1.00 0.00 C ATOM 326 C LEU A 26 -5.798 7.608 8.316 1.00 0.00 C ATOM 327 O LEU A 26 -5.429 8.614 8.919 1.00 0.00 O ATOM 328 CB LEU A 26 -5.075 5.380 9.355 1.00 0.00 C ATOM 329 CG LEU A 26 -3.759 6.007 9.819 1.00 0.00 C ATOM 330 CD1 LEU A 26 -3.965 6.840 11.086 1.00 0.00 C ATOM 331 CD2 LEU A 26 -2.679 4.939 10.005 1.00 0.00 C ATOM 0 H LEU A 26 -7.063 4.763 8.013 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.568 6.684 10.065 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.401 4.666 10.111 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.883 4.814 8.444 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.411 6.686 9.040 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.014 7.274 11.394 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.680 7.638 10.885 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.348 6.202 11.883 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.754 5.411 10.335 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.006 4.218 10.754 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.507 4.426 9.058 1.00 0.00 H new ATOM 343 N HIS A 27 -5.866 7.506 6.996 1.00 0.00 N ATOM 344 CA HIS A 27 -5.493 8.618 6.140 1.00 0.00 C ATOM 345 C HIS A 27 -6.496 9.760 6.316 1.00 0.00 C ATOM 346 O HIS A 27 -6.105 10.907 6.531 1.00 0.00 O ATOM 347 CB HIS A 27 -5.362 8.163 4.685 1.00 0.00 C ATOM 348 CG HIS A 27 -5.343 9.296 3.687 1.00 0.00 C ATOM 349 ND1 HIS A 27 -4.396 10.305 3.714 1.00 0.00 N ATOM 350 CD2 HIS A 27 -6.165 9.569 2.633 1.00 0.00 C ATOM 351 CE1 HIS A 27 -4.646 11.141 2.717 1.00 0.00 C ATOM 352 NE2 HIS A 27 -5.743 10.683 2.049 1.00 0.00 N ATOM 0 H HIS A 27 -6.174 6.670 6.499 1.00 0.00 H new ATOM 0 HA HIS A 27 -4.512 8.994 6.432 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.446 7.582 4.578 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.191 7.497 4.447 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -3.635 10.391 4.387 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -7.015 8.978 2.326 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -4.080 12.029 2.476 1.00 0.00 H new ATOM 361 N GLU A 28 -7.768 9.408 6.219 1.00 0.00 N ATOM 362 CA GLU A 28 -8.830 10.388 6.365 1.00 0.00 C ATOM 363 C GLU A 28 -8.695 11.122 7.701 1.00 0.00 C ATOM 364 O GLU A 28 -9.122 12.268 7.829 1.00 0.00 O ATOM 365 CB GLU A 28 -10.206 9.731 6.236 1.00 0.00 C ATOM 366 CG GLU A 28 -10.074 8.241 5.917 1.00 0.00 C ATOM 367 CD GLU A 28 -11.448 7.598 5.720 1.00 0.00 C ATOM 368 OE1 GLU A 28 -12.447 8.325 5.910 1.00 0.00 O ATOM 369 OE2 GLU A 28 -11.469 6.394 5.385 1.00 0.00 O ATOM 0 H GLU A 28 -8.088 8.456 6.041 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.737 11.118 5.561 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -10.763 9.860 7.164 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.777 10.226 5.450 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.475 8.110 5.016 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.546 7.738 6.727 1.00 0.00 H new ATOM 376 N ASP A 29 -8.100 10.431 8.661 1.00 0.00 N ATOM 377 CA ASP A 29 -7.903 11.002 9.982 1.00 0.00 C ATOM 378 C ASP A 29 -6.588 11.783 10.005 1.00 0.00 C ATOM 379 O ASP A 29 -6.361 12.597 10.899 1.00 0.00 O ATOM 380 CB ASP A 29 -7.822 9.908 11.049 1.00 0.00 C ATOM 381 CG ASP A 29 -9.114 9.116 11.261 1.00 0.00 C ATOM 382 OD1 ASP A 29 -10.189 9.743 11.152 1.00 0.00 O ATOM 383 OD2 ASP A 29 -8.996 7.899 11.528 1.00 0.00 O ATOM 0 H ASP A 29 -7.748 9.480 8.551 1.00 0.00 H new ATOM 0 HA ASP A 29 -8.750 11.653 10.197 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.028 9.213 10.776 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.534 10.365 11.996 1.00 0.00 H new ATOM 388 N GLY A 30 -5.756 11.507 9.011 1.00 0.00 N ATOM 389 CA GLY A 30 -4.469 12.174 8.907 1.00 0.00 C ATOM 390 C GLY A 30 -3.520 11.712 10.014 1.00 0.00 C ATOM 391 O GLY A 30 -2.621 12.450 10.414 1.00 0.00 O ATOM 0 H GLY A 30 -5.948 10.831 8.271 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.026 11.966 7.933 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.609 13.253 8.970 1.00 0.00 H new ATOM 395 N GLU A 31 -3.752 10.492 10.478 1.00 0.00 N ATOM 396 CA GLU A 31 -2.929 9.924 11.531 1.00 0.00 C ATOM 397 C GLU A 31 -2.043 8.810 10.969 1.00 0.00 C ATOM 398 O GLU A 31 -2.210 8.399 9.822 1.00 0.00 O ATOM 399 CB GLU A 31 -3.794 9.407 12.683 1.00 0.00 C ATOM 400 CG GLU A 31 -4.326 10.565 13.530 1.00 0.00 C ATOM 401 CD GLU A 31 -3.215 11.174 14.387 1.00 0.00 C ATOM 402 OE1 GLU A 31 -2.308 10.404 14.773 1.00 0.00 O ATOM 403 OE2 GLU A 31 -3.296 12.395 14.639 1.00 0.00 O ATOM 0 H GLU A 31 -4.498 9.882 10.144 1.00 0.00 H new ATOM 0 HA GLU A 31 -2.285 10.710 11.927 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.628 8.829 12.285 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.209 8.733 13.308 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.750 11.331 12.880 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.132 10.210 14.172 1.00 0.00 H new ATOM 410 N THR A 32 -1.120 8.354 11.803 1.00 0.00 N ATOM 411 CA THR A 32 -0.208 7.296 11.403 1.00 0.00 C ATOM 412 C THR A 32 -0.325 6.103 12.354 1.00 0.00 C ATOM 413 O THR A 32 -1.024 6.175 13.364 1.00 0.00 O ATOM 414 CB THR A 32 1.202 7.887 11.342 1.00 0.00 C ATOM 415 OG1 THR A 32 1.453 8.326 12.674 1.00 0.00 O ATOM 416 CG2 THR A 32 1.264 9.168 10.508 1.00 0.00 C ATOM 0 H THR A 32 -0.984 8.698 12.754 1.00 0.00 H new ATOM 0 HA THR A 32 -0.459 6.910 10.415 1.00 0.00 H new ATOM 0 HB THR A 32 1.887 7.149 10.924 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.348 8.722 12.725 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.286 9.546 10.497 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.946 8.954 9.488 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.604 9.918 10.944 1.00 0.00 H new ATOM 424 N VAL A 33 0.368 5.032 11.997 1.00 0.00 N ATOM 425 CA VAL A 33 0.350 3.825 12.806 1.00 0.00 C ATOM 426 C VAL A 33 1.667 3.713 13.576 1.00 0.00 C ATOM 427 O VAL A 33 2.742 3.704 12.978 1.00 0.00 O ATOM 428 CB VAL A 33 0.068 2.608 11.922 1.00 0.00 C ATOM 429 CG1 VAL A 33 -1.371 2.629 11.403 1.00 0.00 C ATOM 430 CG2 VAL A 33 1.068 2.525 10.767 1.00 0.00 C ATOM 0 H VAL A 33 0.946 4.975 11.158 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.453 3.869 13.542 1.00 0.00 H new ATOM 0 HB VAL A 33 0.190 1.714 12.534 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.545 1.753 10.778 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.062 2.616 12.246 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.533 3.533 10.815 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.845 1.651 10.155 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.994 3.425 10.156 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.079 2.440 11.166 1.00 0.00 H new ATOM 440 N GLY A 34 1.541 3.629 14.892 1.00 0.00 N ATOM 441 CA GLY A 34 2.708 3.517 15.751 1.00 0.00 C ATOM 442 C GLY A 34 3.966 3.225 14.931 1.00 0.00 C ATOM 443 O GLY A 34 4.352 2.068 14.770 1.00 0.00 O ATOM 0 H GLY A 34 0.648 3.636 15.385 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.842 4.442 16.312 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.552 2.722 16.480 1.00 0.00 H new ATOM 447 N SER A 35 4.570 4.294 14.433 1.00 0.00 N ATOM 448 CA SER A 35 5.777 4.167 13.633 1.00 0.00 C ATOM 449 C SER A 35 5.917 5.372 12.701 1.00 0.00 C ATOM 450 O SER A 35 5.624 6.501 13.094 1.00 0.00 O ATOM 451 CB SER A 35 5.766 2.868 12.822 1.00 0.00 C ATOM 452 OG SER A 35 5.923 1.720 13.651 1.00 0.00 O ATOM 0 H SER A 35 4.246 5.252 14.568 1.00 0.00 H new ATOM 0 HA SER A 35 6.632 4.136 14.308 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.828 2.792 12.272 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.568 2.895 12.084 1.00 0.00 H new ATOM 0 HG SER A 35 5.224 1.715 14.338 1.00 0.00 H new ATOM 458 N ASN A 36 6.364 5.093 11.487 1.00 0.00 N ATOM 459 CA ASN A 36 6.547 6.140 10.495 1.00 0.00 C ATOM 460 C ASN A 36 5.276 6.987 10.416 1.00 0.00 C ATOM 461 O ASN A 36 4.513 7.060 11.378 1.00 0.00 O ATOM 462 CB ASN A 36 6.808 5.548 9.109 1.00 0.00 C ATOM 463 CG ASN A 36 8.307 5.501 8.807 1.00 0.00 C ATOM 464 OD1 ASN A 36 9.106 6.221 9.385 1.00 0.00 O ATOM 465 ND2 ASN A 36 8.643 4.618 7.872 1.00 0.00 N ATOM 0 H ASN A 36 6.606 4.155 11.166 1.00 0.00 H new ATOM 0 HA ASN A 36 7.404 6.743 10.795 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.391 4.543 9.054 1.00 0.00 H new ATOM 0 HB3 ASN A 36 6.299 6.146 8.353 1.00 0.00 H new ATOM 0 HD21 ASN A 36 9.620 4.512 7.598 1.00 0.00 H new ATOM 0 HD22 ASN A 36 7.924 4.047 7.428 1.00 0.00 H new ATOM 472 N SER A 37 5.087 7.606 9.260 1.00 0.00 N ATOM 473 CA SER A 37 3.920 8.446 9.042 1.00 0.00 C ATOM 474 C SER A 37 2.959 7.763 8.069 1.00 0.00 C ATOM 475 O SER A 37 2.352 8.421 7.225 1.00 0.00 O ATOM 476 CB SER A 37 4.325 9.822 8.510 1.00 0.00 C ATOM 477 OG SER A 37 5.212 9.727 7.399 1.00 0.00 O ATOM 0 H SER A 37 5.722 7.543 8.464 1.00 0.00 H new ATOM 0 HA SER A 37 3.417 8.589 9.998 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.432 10.373 8.215 1.00 0.00 H new ATOM 0 HB3 SER A 37 4.802 10.392 9.307 1.00 0.00 H new ATOM 0 HG SER A 37 5.445 10.627 7.088 1.00 0.00 H new ATOM 483 N TYR A 38 2.849 6.451 8.217 1.00 0.00 N ATOM 484 CA TYR A 38 1.972 5.671 7.361 1.00 0.00 C ATOM 485 C TYR A 38 0.529 5.715 7.870 1.00 0.00 C ATOM 486 O TYR A 38 0.291 5.681 9.076 1.00 0.00 O ATOM 487 CB TYR A 38 2.482 4.230 7.434 1.00 0.00 C ATOM 488 CG TYR A 38 3.883 4.037 6.850 1.00 0.00 C ATOM 489 CD1 TYR A 38 4.852 4.999 7.047 1.00 0.00 C ATOM 490 CD2 TYR A 38 4.176 2.899 6.126 1.00 0.00 C ATOM 491 CE1 TYR A 38 6.170 4.815 6.498 1.00 0.00 C ATOM 492 CE2 TYR A 38 5.494 2.716 5.577 1.00 0.00 C ATOM 493 CZ TYR A 38 6.427 3.683 5.790 1.00 0.00 C ATOM 494 OH TYR A 38 7.672 3.510 5.270 1.00 0.00 O ATOM 0 H TYR A 38 3.353 5.908 8.918 1.00 0.00 H new ATOM 0 HA TYR A 38 1.978 6.065 6.345 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.486 3.909 8.476 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.785 3.581 6.903 1.00 0.00 H new ATOM 0 HD1 TYR A 38 4.622 5.890 7.613 1.00 0.00 H new ATOM 0 HD2 TYR A 38 3.417 2.146 5.972 1.00 0.00 H new ATOM 0 HE1 TYR A 38 6.938 5.560 6.645 1.00 0.00 H new ATOM 0 HE2 TYR A 38 5.737 1.830 5.008 1.00 0.00 H new ATOM 0 HH TYR A 38 7.710 2.656 4.790 1.00 0.00 H new ATOM 504 N PRO A 39 -0.420 5.791 6.900 1.00 0.00 N ATOM 505 CA PRO A 39 -0.054 5.827 5.494 1.00 0.00 C ATOM 506 C PRO A 39 0.502 7.199 5.107 1.00 0.00 C ATOM 507 O PRO A 39 0.633 8.082 5.954 1.00 0.00 O ATOM 508 CB PRO A 39 -1.326 5.470 4.745 1.00 0.00 C ATOM 509 CG PRO A 39 -2.465 5.702 5.725 1.00 0.00 C ATOM 510 CD PRO A 39 -1.864 5.846 7.113 1.00 0.00 C ATOM 0 HA PRO A 39 0.745 5.126 5.250 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -1.443 6.090 3.856 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.304 4.433 4.410 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -3.023 6.599 5.456 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -3.167 4.869 5.698 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.160 6.787 7.577 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -2.197 5.046 7.774 1.00 0.00 H new ATOM 518 N HIS A 40 0.816 7.336 3.827 1.00 0.00 N ATOM 519 CA HIS A 40 1.354 8.586 3.317 1.00 0.00 C ATOM 520 C HIS A 40 1.534 8.487 1.801 1.00 0.00 C ATOM 521 O HIS A 40 1.467 7.397 1.234 1.00 0.00 O ATOM 522 CB HIS A 40 2.649 8.956 4.044 1.00 0.00 C ATOM 523 CG HIS A 40 3.807 8.035 3.744 1.00 0.00 C ATOM 524 ND1 HIS A 40 4.273 6.942 4.413 1.00 0.00 N flip ATOM 525 CD2 HIS A 40 4.627 8.198 2.642 1.00 0.00 C flip ATOM 526 CE1 HIS A 40 5.321 6.462 3.755 1.00 0.00 C flip ATOM 527 NE2 HIS A 40 5.542 7.240 2.657 1.00 0.00 N flip ATOM 0 H HIS A 40 0.708 6.602 3.127 1.00 0.00 H new ATOM 0 HA HIS A 40 0.651 9.395 3.513 1.00 0.00 H new ATOM 0 HB2 HIS A 40 2.928 9.974 3.772 1.00 0.00 H new ATOM 0 HB3 HIS A 40 2.464 8.952 5.118 1.00 0.00 H new ATOM 0 HD1 HIS A 40 3.882 6.558 5.274 1.00 0.00 H new ATOM 0 HD2 HIS A 40 4.537 8.974 1.896 1.00 0.00 H new ATOM 0 HE1 HIS A 40 5.902 5.598 4.042 1.00 0.00 H new ATOM 0 HE2 HIS A 40 6.282 7.108 1.968 1.00 0.00 H new ATOM 536 N LYS A 41 1.758 9.639 1.188 1.00 0.00 N ATOM 537 CA LYS A 41 1.947 9.696 -0.252 1.00 0.00 C ATOM 538 C LYS A 41 2.899 8.578 -0.681 1.00 0.00 C ATOM 539 O LYS A 41 3.533 7.941 0.158 1.00 0.00 O ATOM 540 CB LYS A 41 2.407 11.093 -0.677 1.00 0.00 C ATOM 541 CG LYS A 41 1.526 11.642 -1.801 1.00 0.00 C ATOM 542 CD LYS A 41 0.610 12.753 -1.285 1.00 0.00 C ATOM 543 CE LYS A 41 1.418 13.997 -0.905 1.00 0.00 C ATOM 544 NZ LYS A 41 1.909 14.685 -2.119 1.00 0.00 N ATOM 0 H LYS A 41 1.813 10.541 1.662 1.00 0.00 H new ATOM 0 HA LYS A 41 1.002 9.526 -0.768 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.373 11.767 0.179 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.444 11.053 -1.010 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.153 12.027 -2.605 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.925 10.837 -2.223 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.122 13.010 -2.050 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.054 12.397 -0.418 1.00 0.00 H new ATOM 0 HE2 LYS A 41 0.798 14.676 -0.320 1.00 0.00 H new ATOM 0 HE3 LYS A 41 2.261 13.712 -0.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 2.260 15.630 -1.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.681 14.132 -2.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 1.132 14.777 -2.804 1.00 0.00 H new ATOM 558 N TYR A 42 2.968 8.374 -1.989 1.00 0.00 N ATOM 559 CA TYR A 42 3.833 7.343 -2.540 1.00 0.00 C ATOM 560 C TYR A 42 4.291 7.711 -3.953 1.00 0.00 C ATOM 561 O TYR A 42 4.833 6.871 -4.671 1.00 0.00 O ATOM 562 CB TYR A 42 2.984 6.072 -2.606 1.00 0.00 C ATOM 563 CG TYR A 42 3.568 4.979 -3.503 1.00 0.00 C ATOM 564 CD1 TYR A 42 3.245 4.942 -4.844 1.00 0.00 C ATOM 565 CD2 TYR A 42 4.417 4.031 -2.971 1.00 0.00 C ATOM 566 CE1 TYR A 42 3.796 3.914 -5.690 1.00 0.00 C ATOM 567 CE2 TYR A 42 4.967 3.003 -3.816 1.00 0.00 C ATOM 568 CZ TYR A 42 4.629 2.995 -5.132 1.00 0.00 C ATOM 569 OH TYR A 42 5.149 2.023 -5.931 1.00 0.00 O ATOM 0 H TYR A 42 2.440 8.904 -2.682 1.00 0.00 H new ATOM 0 HA TYR A 42 4.724 7.219 -1.924 1.00 0.00 H new ATOM 0 HB2 TYR A 42 2.864 5.675 -1.598 1.00 0.00 H new ATOM 0 HB3 TYR A 42 1.989 6.331 -2.967 1.00 0.00 H new ATOM 0 HD1 TYR A 42 2.579 5.684 -5.260 1.00 0.00 H new ATOM 0 HD2 TYR A 42 4.669 4.060 -1.921 1.00 0.00 H new ATOM 0 HE1 TYR A 42 3.553 3.874 -6.742 1.00 0.00 H new ATOM 0 HE2 TYR A 42 5.633 2.255 -3.413 1.00 0.00 H new ATOM 0 HH TYR A 42 5.503 2.428 -6.750 1.00 0.00 H new ATOM 579 N ASN A 43 4.056 8.965 -4.310 1.00 0.00 N ATOM 580 CA ASN A 43 4.437 9.453 -5.624 1.00 0.00 C ATOM 581 C ASN A 43 5.226 8.366 -6.358 1.00 0.00 C ATOM 582 O ASN A 43 6.452 8.320 -6.274 1.00 0.00 O ATOM 583 CB ASN A 43 5.330 10.691 -5.513 1.00 0.00 C ATOM 584 CG ASN A 43 4.515 11.972 -5.702 1.00 0.00 C ATOM 585 OD1 ASN A 43 4.634 12.675 -6.692 1.00 0.00 O ATOM 586 ND2 ASN A 43 3.682 12.235 -4.699 1.00 0.00 N ATOM 0 H ASN A 43 3.606 9.658 -3.712 1.00 0.00 H new ATOM 0 HA ASN A 43 3.527 9.711 -6.165 1.00 0.00 H new ATOM 0 HB2 ASN A 43 5.818 10.706 -4.538 1.00 0.00 H new ATOM 0 HB3 ASN A 43 6.119 10.643 -6.263 1.00 0.00 H new ATOM 0 HD21 ASN A 43 3.093 13.068 -4.730 1.00 0.00 H new ATOM 0 HD22 ASN A 43 3.632 11.604 -3.899 1.00 0.00 H new ATOM 593 N ASN A 44 4.490 7.517 -7.060 1.00 0.00 N ATOM 594 CA ASN A 44 5.104 6.434 -7.808 1.00 0.00 C ATOM 595 C ASN A 44 6.064 7.018 -8.847 1.00 0.00 C ATOM 596 O ASN A 44 6.165 8.235 -8.989 1.00 0.00 O ATOM 597 CB ASN A 44 4.051 5.608 -8.549 1.00 0.00 C ATOM 598 CG ASN A 44 3.591 6.321 -9.822 1.00 0.00 C ATOM 599 OD1 ASN A 44 4.339 6.054 -10.890 1.00 0.00 O flip ATOM 600 ND2 ASN A 44 2.624 7.063 -9.834 1.00 0.00 N flip ATOM 0 H ASN A 44 3.473 7.558 -7.126 1.00 0.00 H new ATOM 0 HA ASN A 44 5.632 5.794 -7.101 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.463 4.631 -8.803 1.00 0.00 H new ATOM 0 HB3 ASN A 44 3.196 5.433 -7.897 1.00 0.00 H new ATOM 0 HD21 ASN A 44 2.094 7.224 -8.978 1.00 0.00 H new ATOM 0 HD22 ASN A 44 2.345 7.523 -10.701 1.00 0.00 H new ATOM 607 N TYR A 45 6.745 6.121 -9.545 1.00 0.00 N ATOM 608 CA TYR A 45 7.693 6.532 -10.568 1.00 0.00 C ATOM 609 C TYR A 45 8.436 5.324 -11.143 1.00 0.00 C ATOM 610 O TYR A 45 8.623 5.227 -12.356 1.00 0.00 O ATOM 611 CB TYR A 45 8.699 7.447 -9.865 1.00 0.00 C ATOM 612 CG TYR A 45 8.427 8.939 -10.065 1.00 0.00 C ATOM 613 CD1 TYR A 45 7.285 9.351 -10.721 1.00 0.00 C ATOM 614 CD2 TYR A 45 9.324 9.873 -9.589 1.00 0.00 C ATOM 615 CE1 TYR A 45 7.029 10.756 -10.907 1.00 0.00 C ATOM 616 CE2 TYR A 45 9.068 11.278 -9.776 1.00 0.00 C ATOM 617 CZ TYR A 45 7.933 11.650 -10.426 1.00 0.00 C ATOM 618 OH TYR A 45 7.692 12.976 -10.602 1.00 0.00 O ATOM 0 H TYR A 45 6.660 5.112 -9.423 1.00 0.00 H new ATOM 0 HA TYR A 45 7.180 7.028 -11.392 1.00 0.00 H new ATOM 0 HB2 TYR A 45 8.691 7.226 -8.798 1.00 0.00 H new ATOM 0 HB3 TYR A 45 9.700 7.218 -10.231 1.00 0.00 H new ATOM 0 HD1 TYR A 45 6.583 8.620 -11.095 1.00 0.00 H new ATOM 0 HD2 TYR A 45 10.218 9.551 -9.076 1.00 0.00 H new ATOM 0 HE1 TYR A 45 6.138 11.092 -11.417 1.00 0.00 H new ATOM 0 HE2 TYR A 45 9.762 12.019 -9.408 1.00 0.00 H new ATOM 0 HH TYR A 45 8.422 13.497 -10.206 1.00 0.00 H new ATOM 628 N GLU A 46 8.838 4.434 -10.248 1.00 0.00 N ATOM 629 CA GLU A 46 9.556 3.238 -10.653 1.00 0.00 C ATOM 630 C GLU A 46 8.919 2.635 -11.907 1.00 0.00 C ATOM 631 O GLU A 46 9.564 1.882 -12.634 1.00 0.00 O ATOM 632 CB GLU A 46 9.601 2.215 -9.515 1.00 0.00 C ATOM 633 CG GLU A 46 10.338 2.779 -8.300 1.00 0.00 C ATOM 634 CD GLU A 46 11.357 3.840 -8.721 1.00 0.00 C ATOM 635 OE1 GLU A 46 12.484 3.435 -9.080 1.00 0.00 O ATOM 636 OE2 GLU A 46 10.986 5.033 -8.673 1.00 0.00 O ATOM 0 H GLU A 46 8.680 4.517 -9.244 1.00 0.00 H new ATOM 0 HA GLU A 46 10.583 3.516 -10.889 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.586 1.936 -9.232 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.098 1.307 -9.857 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.620 3.214 -7.605 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.845 1.972 -7.771 1.00 0.00 H new ATOM 643 N GLY A 47 7.660 2.990 -12.121 1.00 0.00 N ATOM 644 CA GLY A 47 6.929 2.495 -13.275 1.00 0.00 C ATOM 645 C GLY A 47 5.711 1.676 -12.842 1.00 0.00 C ATOM 646 O GLY A 47 5.566 0.518 -13.231 1.00 0.00 O ATOM 0 H GLY A 47 7.128 3.614 -11.515 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.607 3.333 -13.893 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.586 1.879 -13.890 1.00 0.00 H new ATOM 650 N PHE A 48 4.866 2.309 -12.042 1.00 0.00 N ATOM 651 CA PHE A 48 3.665 1.655 -11.552 1.00 0.00 C ATOM 652 C PHE A 48 2.439 2.086 -12.357 1.00 0.00 C ATOM 653 O PHE A 48 2.229 3.276 -12.586 1.00 0.00 O ATOM 654 CB PHE A 48 3.483 2.087 -10.095 1.00 0.00 C ATOM 655 CG PHE A 48 4.520 1.498 -9.137 1.00 0.00 C ATOM 656 CD1 PHE A 48 4.330 0.260 -8.607 1.00 0.00 C ATOM 657 CD2 PHE A 48 5.632 2.213 -8.815 1.00 0.00 C ATOM 658 CE1 PHE A 48 5.292 -0.287 -7.718 1.00 0.00 C ATOM 659 CE2 PHE A 48 6.594 1.665 -7.926 1.00 0.00 C ATOM 660 CZ PHE A 48 6.405 0.428 -7.396 1.00 0.00 C ATOM 0 H PHE A 48 4.990 3.269 -11.721 1.00 0.00 H new ATOM 0 HA PHE A 48 3.765 0.574 -11.646 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.530 3.175 -10.041 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.488 1.794 -9.762 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.447 -0.307 -8.863 1.00 0.00 H new ATOM 0 HD2 PHE A 48 5.783 3.196 -9.235 1.00 0.00 H new ATOM 0 HE1 PHE A 48 5.141 -1.270 -7.297 1.00 0.00 H new ATOM 0 HE2 PHE A 48 7.477 2.232 -7.671 1.00 0.00 H new ATOM 0 HZ PHE A 48 7.137 0.012 -6.720 1.00 0.00 H new ATOM 670 N ASP A 49 1.658 1.095 -12.764 1.00 0.00 N ATOM 671 CA ASP A 49 0.459 1.357 -13.538 1.00 0.00 C ATOM 672 C ASP A 49 -0.761 1.307 -12.615 1.00 0.00 C ATOM 673 O ASP A 49 -1.575 0.389 -12.704 1.00 0.00 O ATOM 674 CB ASP A 49 0.266 0.304 -14.631 1.00 0.00 C ATOM 675 CG ASP A 49 1.559 -0.315 -15.167 1.00 0.00 C ATOM 676 OD1 ASP A 49 2.270 -0.940 -14.350 1.00 0.00 O ATOM 677 OD2 ASP A 49 1.807 -0.150 -16.381 1.00 0.00 O ATOM 0 H ASP A 49 1.834 0.109 -12.571 1.00 0.00 H new ATOM 0 HA ASP A 49 0.565 2.340 -13.998 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.366 -0.493 -14.239 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.273 0.759 -15.462 1.00 0.00 H new ATOM 682 N PHE A 50 -0.848 2.306 -11.749 1.00 0.00 N ATOM 683 CA PHE A 50 -1.954 2.389 -10.810 1.00 0.00 C ATOM 684 C PHE A 50 -3.250 2.779 -11.522 1.00 0.00 C ATOM 685 O PHE A 50 -3.342 3.858 -12.105 1.00 0.00 O ATOM 686 CB PHE A 50 -1.597 3.474 -9.793 1.00 0.00 C ATOM 687 CG PHE A 50 -0.412 3.119 -8.892 1.00 0.00 C ATOM 688 CD1 PHE A 50 0.023 1.833 -8.818 1.00 0.00 C ATOM 689 CD2 PHE A 50 0.205 4.089 -8.166 1.00 0.00 C ATOM 690 CE1 PHE A 50 1.123 1.503 -7.982 1.00 0.00 C ATOM 691 CE2 PHE A 50 1.304 3.758 -7.330 1.00 0.00 C ATOM 692 CZ PHE A 50 1.740 2.472 -7.256 1.00 0.00 C ATOM 0 H PHE A 50 -0.170 3.065 -11.678 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.111 1.421 -10.334 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.370 4.397 -10.327 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -2.468 3.673 -9.168 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.468 1.063 -9.395 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.141 5.111 -8.225 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.469 0.482 -7.923 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.794 4.528 -6.753 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.576 2.221 -6.620 1.00 0.00 H new ATOM 702 N SER A 51 -4.220 1.880 -11.451 1.00 0.00 N ATOM 703 CA SER A 51 -5.508 2.116 -12.082 1.00 0.00 C ATOM 704 C SER A 51 -6.328 3.100 -11.245 1.00 0.00 C ATOM 705 O SER A 51 -7.557 3.095 -11.300 1.00 0.00 O ATOM 706 CB SER A 51 -6.279 0.808 -12.270 1.00 0.00 C ATOM 707 OG SER A 51 -6.621 0.207 -11.025 1.00 0.00 O ATOM 0 H SER A 51 -4.140 0.986 -10.966 1.00 0.00 H new ATOM 0 HA SER A 51 -5.331 2.546 -13.068 1.00 0.00 H new ATOM 0 HB2 SER A 51 -7.187 1.001 -12.841 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.677 0.113 -12.855 1.00 0.00 H new ATOM 0 HG SER A 51 -7.114 -0.624 -11.187 1.00 0.00 H new ATOM 713 N VAL A 52 -5.615 3.920 -10.487 1.00 0.00 N ATOM 714 CA VAL A 52 -6.261 4.907 -9.638 1.00 0.00 C ATOM 715 C VAL A 52 -5.588 6.266 -9.840 1.00 0.00 C ATOM 716 O VAL A 52 -4.387 6.336 -10.093 1.00 0.00 O ATOM 717 CB VAL A 52 -6.239 4.439 -8.181 1.00 0.00 C ATOM 718 CG1 VAL A 52 -6.764 3.007 -8.057 1.00 0.00 C ATOM 719 CG2 VAL A 52 -4.835 4.563 -7.587 1.00 0.00 C ATOM 0 H VAL A 52 -4.596 3.921 -10.443 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.310 5.020 -9.913 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.902 5.089 -7.610 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.738 2.699 -7.012 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -7.790 2.963 -8.423 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.139 2.338 -8.648 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.847 4.224 -6.551 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.141 3.949 -8.162 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.515 5.604 -7.624 1.00 0.00 H new ATOM 729 N SER A 53 -6.392 7.313 -9.720 1.00 0.00 N ATOM 730 CA SER A 53 -5.889 8.665 -9.886 1.00 0.00 C ATOM 731 C SER A 53 -5.321 9.178 -8.562 1.00 0.00 C ATOM 732 O SER A 53 -5.931 8.998 -7.508 1.00 0.00 O ATOM 733 CB SER A 53 -6.988 9.603 -10.391 1.00 0.00 C ATOM 734 OG SER A 53 -7.459 9.226 -11.682 1.00 0.00 O ATOM 0 H SER A 53 -7.388 7.251 -9.510 1.00 0.00 H new ATOM 0 HA SER A 53 -5.094 8.645 -10.632 1.00 0.00 H new ATOM 0 HB2 SER A 53 -7.820 9.600 -9.686 1.00 0.00 H new ATOM 0 HB3 SER A 53 -6.606 10.623 -10.428 1.00 0.00 H new ATOM 0 HG SER A 53 -8.160 9.847 -11.969 1.00 0.00 H new ATOM 740 N SER A 54 -4.160 9.809 -8.658 1.00 0.00 N ATOM 741 CA SER A 54 -3.503 10.350 -7.480 1.00 0.00 C ATOM 742 C SER A 54 -4.538 10.979 -6.545 1.00 0.00 C ATOM 743 O SER A 54 -5.682 11.202 -6.940 1.00 0.00 O ATOM 744 CB SER A 54 -2.441 11.381 -7.866 1.00 0.00 C ATOM 745 OG SER A 54 -2.906 12.275 -8.875 1.00 0.00 O ATOM 0 H SER A 54 -3.657 9.958 -9.533 1.00 0.00 H new ATOM 0 HA SER A 54 -3.004 9.531 -6.961 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.151 11.950 -6.983 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.548 10.866 -8.221 1.00 0.00 H new ATOM 0 HG SER A 54 -2.200 12.919 -9.092 1.00 0.00 H new ATOM 751 N PRO A 55 -4.088 11.256 -5.292 1.00 0.00 N ATOM 752 CA PRO A 55 -2.719 10.960 -4.907 1.00 0.00 C ATOM 753 C PRO A 55 -2.523 9.460 -4.683 1.00 0.00 C ATOM 754 O PRO A 55 -3.469 8.683 -4.799 1.00 0.00 O ATOM 755 CB PRO A 55 -2.477 11.784 -3.652 1.00 0.00 C ATOM 756 CG PRO A 55 -3.853 12.146 -3.120 1.00 0.00 C ATOM 757 CD PRO A 55 -4.868 11.854 -4.213 1.00 0.00 C ATOM 0 HA PRO A 55 -1.999 11.218 -5.684 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -1.910 11.215 -2.915 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -1.898 12.679 -3.878 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -4.080 11.568 -2.224 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.888 13.198 -2.838 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -5.644 11.174 -3.861 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -5.368 12.765 -4.543 1.00 0.00 H new ATOM 765 N TYR A 56 -1.289 9.097 -4.366 1.00 0.00 N ATOM 766 CA TYR A 56 -0.957 7.703 -4.125 1.00 0.00 C ATOM 767 C TYR A 56 -0.468 7.496 -2.691 1.00 0.00 C ATOM 768 O TYR A 56 0.641 7.902 -2.344 1.00 0.00 O ATOM 769 CB TYR A 56 0.179 7.367 -5.093 1.00 0.00 C ATOM 770 CG TYR A 56 -0.211 7.461 -6.569 1.00 0.00 C ATOM 771 CD1 TYR A 56 -1.453 7.025 -6.984 1.00 0.00 C ATOM 772 CD2 TYR A 56 0.679 7.982 -7.486 1.00 0.00 C ATOM 773 CE1 TYR A 56 -1.821 7.115 -8.373 1.00 0.00 C ATOM 774 CE2 TYR A 56 0.311 8.071 -8.876 1.00 0.00 C ATOM 775 CZ TYR A 56 -0.921 7.633 -9.251 1.00 0.00 C ATOM 776 OH TYR A 56 -1.268 7.717 -10.563 1.00 0.00 O ATOM 0 H TYR A 56 -0.507 9.744 -4.270 1.00 0.00 H new ATOM 0 HA TYR A 56 -1.832 7.069 -4.271 1.00 0.00 H new ATOM 0 HB2 TYR A 56 1.014 8.042 -4.905 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.533 6.357 -4.885 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -2.149 6.616 -6.267 1.00 0.00 H new ATOM 0 HD2 TYR A 56 1.651 8.323 -7.162 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -2.790 6.779 -8.710 1.00 0.00 H new ATOM 0 HE2 TYR A 56 0.998 8.476 -9.604 1.00 0.00 H new ATOM 0 HH TYR A 56 -0.528 8.108 -11.073 1.00 0.00 H new ATOM 786 N TYR A 57 -1.319 6.864 -1.895 1.00 0.00 N ATOM 787 CA TYR A 57 -0.986 6.598 -0.506 1.00 0.00 C ATOM 788 C TYR A 57 -0.397 5.195 -0.342 1.00 0.00 C ATOM 789 O TYR A 57 -1.026 4.206 -0.714 1.00 0.00 O ATOM 790 CB TYR A 57 -2.306 6.677 0.266 1.00 0.00 C ATOM 791 CG TYR A 57 -3.059 7.995 0.075 1.00 0.00 C ATOM 792 CD1 TYR A 57 -2.384 9.121 -0.349 1.00 0.00 C ATOM 793 CD2 TYR A 57 -4.415 8.056 0.325 1.00 0.00 C ATOM 794 CE1 TYR A 57 -3.094 10.361 -0.528 1.00 0.00 C ATOM 795 CE2 TYR A 57 -5.125 9.296 0.146 1.00 0.00 C ATOM 796 CZ TYR A 57 -4.429 10.388 -0.273 1.00 0.00 C ATOM 797 OH TYR A 57 -5.100 11.558 -0.442 1.00 0.00 O ATOM 0 H TYR A 57 -2.238 6.529 -2.186 1.00 0.00 H new ATOM 0 HA TYR A 57 -0.246 7.312 -0.145 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.949 5.854 -0.048 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -2.103 6.536 1.328 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -1.323 9.073 -0.547 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -4.944 7.174 0.655 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -2.577 11.250 -0.858 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.186 9.358 0.340 1.00 0.00 H new ATOM 0 HH TYR A 57 -5.619 11.757 0.365 1.00 0.00 H new ATOM 807 N GLU A 58 0.804 5.154 0.216 1.00 0.00 N ATOM 808 CA GLU A 58 1.485 3.889 0.434 1.00 0.00 C ATOM 809 C GLU A 58 1.196 3.366 1.843 1.00 0.00 C ATOM 810 O GLU A 58 1.410 4.072 2.827 1.00 0.00 O ATOM 811 CB GLU A 58 2.991 4.030 0.200 1.00 0.00 C ATOM 812 CG GLU A 58 3.591 5.097 1.118 1.00 0.00 C ATOM 813 CD GLU A 58 5.066 5.336 0.789 1.00 0.00 C ATOM 814 OE1 GLU A 58 5.887 4.495 1.216 1.00 0.00 O ATOM 815 OE2 GLU A 58 5.339 6.356 0.118 1.00 0.00 O ATOM 0 H GLU A 58 1.323 5.976 0.524 1.00 0.00 H new ATOM 0 HA GLU A 58 1.104 3.165 -0.286 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.482 3.073 0.379 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.178 4.294 -0.841 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.035 6.028 1.011 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.492 4.785 2.158 1.00 0.00 H new ATOM 822 N TRP A 59 0.714 2.133 1.893 1.00 0.00 N ATOM 823 CA TRP A 59 0.392 1.507 3.165 1.00 0.00 C ATOM 824 C TRP A 59 0.772 0.028 3.073 1.00 0.00 C ATOM 825 O TRP A 59 0.744 -0.558 1.992 1.00 0.00 O ATOM 826 CB TRP A 59 -1.078 1.726 3.528 1.00 0.00 C ATOM 827 CG TRP A 59 -1.577 0.834 4.665 1.00 0.00 C ATOM 828 CD1 TRP A 59 -2.218 -0.339 4.575 1.00 0.00 C ATOM 829 CD2 TRP A 59 -1.448 1.093 6.080 1.00 0.00 C ATOM 830 NE1 TRP A 59 -2.511 -0.853 5.822 1.00 0.00 N ATOM 831 CE2 TRP A 59 -2.028 0.045 6.766 1.00 0.00 C ATOM 832 CE3 TRP A 59 -0.861 2.176 6.757 1.00 0.00 C ATOM 833 CZ2 TRP A 59 -2.077 -0.022 8.164 1.00 0.00 C ATOM 834 CZ3 TRP A 59 -0.919 2.094 8.154 1.00 0.00 C ATOM 835 CH2 TRP A 59 -1.499 1.047 8.860 1.00 0.00 C ATOM 0 H TRP A 59 0.539 1.551 1.074 1.00 0.00 H new ATOM 0 HA TRP A 59 0.962 1.963 3.975 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -1.221 2.769 3.809 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.690 1.547 2.644 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -2.473 -0.822 3.643 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -2.993 -1.731 6.015 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -0.402 3.006 6.241 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -2.536 -0.854 8.678 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -0.482 2.902 8.723 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -1.504 1.058 9.940 1.00 0.00 H new ATOM 846 N PRO A 60 1.129 -0.548 4.252 1.00 0.00 N ATOM 847 CA PRO A 60 1.514 -1.947 4.315 1.00 0.00 C ATOM 848 C PRO A 60 0.290 -2.859 4.200 1.00 0.00 C ATOM 849 O PRO A 60 -0.814 -2.472 4.580 1.00 0.00 O ATOM 850 CB PRO A 60 2.243 -2.095 5.641 1.00 0.00 C ATOM 851 CG PRO A 60 1.835 -0.893 6.477 1.00 0.00 C ATOM 852 CD PRO A 60 1.174 0.115 5.551 1.00 0.00 C ATOM 0 HA PRO A 60 2.157 -2.244 3.487 1.00 0.00 H new ATOM 0 HB2 PRO A 60 1.968 -3.026 6.136 1.00 0.00 H new ATOM 0 HB3 PRO A 60 3.323 -2.119 5.493 1.00 0.00 H new ATOM 0 HG2 PRO A 60 1.147 -1.193 7.268 1.00 0.00 H new ATOM 0 HG3 PRO A 60 2.706 -0.452 6.962 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.174 0.375 5.898 1.00 0.00 H new ATOM 0 HD3 PRO A 60 1.745 1.042 5.503 1.00 0.00 H new ATOM 860 N ILE A 61 0.529 -4.052 3.674 1.00 0.00 N ATOM 861 CA ILE A 61 -0.541 -5.021 3.504 1.00 0.00 C ATOM 862 C ILE A 61 -0.219 -6.276 4.317 1.00 0.00 C ATOM 863 O ILE A 61 0.741 -6.985 4.018 1.00 0.00 O ATOM 864 CB ILE A 61 -0.784 -5.295 2.019 1.00 0.00 C ATOM 865 CG1 ILE A 61 -2.063 -6.110 1.814 1.00 0.00 C ATOM 866 CG2 ILE A 61 0.432 -5.968 1.380 1.00 0.00 C ATOM 867 CD1 ILE A 61 -2.475 -6.123 0.340 1.00 0.00 C ATOM 0 H ILE A 61 1.446 -4.369 3.360 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.480 -4.624 3.889 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.926 -4.340 1.514 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.907 -7.132 2.161 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.868 -5.688 2.416 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.233 -6.152 0.324 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.301 -5.317 1.478 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.630 -6.915 1.882 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.387 -6.709 0.222 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.654 -5.102 0.003 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.678 -6.568 -0.257 1.00 0.00 H new ATOM 879 N LEU A 62 -1.040 -6.513 5.330 1.00 0.00 N ATOM 880 CA LEU A 62 -0.854 -7.671 6.188 1.00 0.00 C ATOM 881 C LEU A 62 -1.517 -8.890 5.543 1.00 0.00 C ATOM 882 O LEU A 62 -2.728 -8.900 5.325 1.00 0.00 O ATOM 883 CB LEU A 62 -1.357 -7.375 7.603 1.00 0.00 C ATOM 884 CG LEU A 62 -0.575 -6.317 8.384 1.00 0.00 C ATOM 885 CD1 LEU A 62 -1.265 -5.995 9.711 1.00 0.00 C ATOM 886 CD2 LEU A 62 0.880 -6.746 8.584 1.00 0.00 C ATOM 0 H LEU A 62 -1.835 -5.923 5.576 1.00 0.00 H new ATOM 0 HA LEU A 62 0.206 -7.902 6.292 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.397 -7.056 7.538 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.344 -8.303 8.174 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.562 -5.399 7.796 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.689 -5.240 10.247 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.268 -5.616 9.517 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.330 -6.899 10.316 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.413 -5.976 9.142 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.910 -7.683 9.140 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.355 -6.885 7.613 1.00 0.00 H new ATOM 898 N SER A 63 -0.694 -9.888 5.255 1.00 0.00 N ATOM 899 CA SER A 63 -1.185 -11.110 4.640 1.00 0.00 C ATOM 900 C SER A 63 -2.319 -11.699 5.480 1.00 0.00 C ATOM 901 O SER A 63 -3.046 -12.579 5.018 1.00 0.00 O ATOM 902 CB SER A 63 -0.060 -12.133 4.473 1.00 0.00 C ATOM 903 OG SER A 63 -0.521 -13.340 3.874 1.00 0.00 O ATOM 0 H SER A 63 0.310 -9.875 5.436 1.00 0.00 H new ATOM 0 HA SER A 63 -1.566 -10.865 3.649 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.732 -11.704 3.860 1.00 0.00 H new ATOM 0 HB3 SER A 63 0.376 -12.355 5.447 1.00 0.00 H new ATOM 0 HG SER A 63 -1.499 -13.379 3.927 1.00 0.00 H new ATOM 909 N SER A 64 -2.435 -11.193 6.698 1.00 0.00 N ATOM 910 CA SER A 64 -3.470 -11.659 7.607 1.00 0.00 C ATOM 911 C SER A 64 -4.756 -10.860 7.391 1.00 0.00 C ATOM 912 O SER A 64 -5.817 -11.238 7.886 1.00 0.00 O ATOM 913 CB SER A 64 -3.014 -11.547 9.063 1.00 0.00 C ATOM 914 OG SER A 64 -2.361 -12.733 9.510 1.00 0.00 O ATOM 0 H SER A 64 -1.830 -10.465 7.078 1.00 0.00 H new ATOM 0 HA SER A 64 -3.664 -12.710 7.394 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.337 -10.699 9.167 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.876 -11.346 9.699 1.00 0.00 H new ATOM 0 HG SER A 64 -2.083 -12.622 10.443 1.00 0.00 H new ATOM 920 N GLY A 65 -4.619 -9.768 6.651 1.00 0.00 N ATOM 921 CA GLY A 65 -5.757 -8.912 6.364 1.00 0.00 C ATOM 922 C GLY A 65 -6.075 -8.005 7.554 1.00 0.00 C ATOM 923 O GLY A 65 -7.238 -7.696 7.810 1.00 0.00 O ATOM 0 H GLY A 65 -3.738 -9.457 6.242 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -5.546 -8.303 5.485 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -6.627 -9.525 6.127 1.00 0.00 H new ATOM 927 N ASP A 66 -5.021 -7.602 8.249 1.00 0.00 N ATOM 928 CA ASP A 66 -5.174 -6.737 9.407 1.00 0.00 C ATOM 929 C ASP A 66 -4.656 -5.338 9.063 1.00 0.00 C ATOM 930 O ASP A 66 -4.361 -5.049 7.905 1.00 0.00 O ATOM 931 CB ASP A 66 -4.368 -7.261 10.596 1.00 0.00 C ATOM 932 CG ASP A 66 -4.882 -8.568 11.201 1.00 0.00 C ATOM 933 OD1 ASP A 66 -6.012 -8.540 11.737 1.00 0.00 O ATOM 934 OD2 ASP A 66 -4.136 -9.567 11.114 1.00 0.00 O ATOM 0 H ASP A 66 -4.058 -7.858 8.032 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.231 -6.711 9.672 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.335 -7.406 10.279 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.358 -6.497 11.374 1.00 0.00 H new ATOM 939 N VAL A 67 -4.562 -4.509 10.091 1.00 0.00 N ATOM 940 CA VAL A 67 -4.084 -3.147 9.913 1.00 0.00 C ATOM 941 C VAL A 67 -2.751 -2.980 10.644 1.00 0.00 C ATOM 942 O VAL A 67 -2.703 -3.016 11.872 1.00 0.00 O ATOM 943 CB VAL A 67 -5.151 -2.154 10.379 1.00 0.00 C ATOM 944 CG1 VAL A 67 -4.564 -0.749 10.523 1.00 0.00 C ATOM 945 CG2 VAL A 67 -6.352 -2.154 9.432 1.00 0.00 C ATOM 0 H VAL A 67 -4.808 -4.753 11.050 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.904 -2.939 8.858 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.501 -2.473 11.361 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.342 -0.062 10.855 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.757 -0.765 11.256 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.174 -0.417 9.561 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.095 -1.440 9.787 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.026 -1.872 8.431 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.792 -3.151 9.403 1.00 0.00 H new ATOM 955 N TYR A 68 -1.701 -2.800 9.856 1.00 0.00 N ATOM 956 CA TYR A 68 -0.369 -2.626 10.413 1.00 0.00 C ATOM 957 C TYR A 68 -0.403 -1.711 11.639 1.00 0.00 C ATOM 958 O TYR A 68 -1.334 -0.926 11.807 1.00 0.00 O ATOM 959 CB TYR A 68 0.463 -1.958 9.316 1.00 0.00 C ATOM 960 CG TYR A 68 1.967 -1.948 9.595 1.00 0.00 C ATOM 961 CD1 TYR A 68 2.592 -3.091 10.049 1.00 0.00 C ATOM 962 CD2 TYR A 68 2.698 -0.795 9.391 1.00 0.00 C ATOM 963 CE1 TYR A 68 4.008 -3.081 10.312 1.00 0.00 C ATOM 964 CE2 TYR A 68 4.114 -0.786 9.654 1.00 0.00 C ATOM 965 CZ TYR A 68 4.699 -1.929 10.101 1.00 0.00 C ATOM 966 OH TYR A 68 6.037 -1.920 10.349 1.00 0.00 O ATOM 0 H TYR A 68 -1.745 -2.771 8.837 1.00 0.00 H new ATOM 0 HA TYR A 68 0.044 -3.585 10.726 1.00 0.00 H new ATOM 0 HB2 TYR A 68 0.282 -2.473 8.373 1.00 0.00 H new ATOM 0 HB3 TYR A 68 0.121 -0.931 9.189 1.00 0.00 H new ATOM 0 HD1 TYR A 68 2.020 -3.993 10.207 1.00 0.00 H new ATOM 0 HD2 TYR A 68 2.209 0.099 9.035 1.00 0.00 H new ATOM 0 HE1 TYR A 68 4.510 -3.968 10.669 1.00 0.00 H new ATOM 0 HE2 TYR A 68 4.698 0.109 9.500 1.00 0.00 H new ATOM 0 HH TYR A 68 6.245 -2.580 11.043 1.00 0.00 H new ATOM 976 N SER A 69 0.626 -1.844 12.464 1.00 0.00 N ATOM 977 CA SER A 69 0.725 -1.040 13.670 1.00 0.00 C ATOM 978 C SER A 69 1.651 0.154 13.427 1.00 0.00 C ATOM 979 O SER A 69 1.543 1.175 14.105 1.00 0.00 O ATOM 980 CB SER A 69 1.233 -1.874 14.848 1.00 0.00 C ATOM 981 OG SER A 69 2.388 -2.635 14.505 1.00 0.00 O ATOM 0 H SER A 69 1.397 -2.496 12.321 1.00 0.00 H new ATOM 0 HA SER A 69 -0.271 -0.675 13.921 1.00 0.00 H new ATOM 0 HB2 SER A 69 1.468 -1.215 15.684 1.00 0.00 H new ATOM 0 HB3 SER A 69 0.443 -2.546 15.184 1.00 0.00 H new ATOM 0 HG SER A 69 2.682 -3.152 15.284 1.00 0.00 H new ATOM 987 N GLY A 70 2.540 -0.014 12.460 1.00 0.00 N ATOM 988 CA GLY A 70 3.483 1.038 12.120 1.00 0.00 C ATOM 989 C GLY A 70 4.918 0.505 12.113 1.00 0.00 C ATOM 990 O GLY A 70 5.236 -0.442 12.831 1.00 0.00 O ATOM 0 H GLY A 70 2.628 -0.863 11.901 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.239 1.448 11.140 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.398 1.854 12.837 1.00 0.00 H new ATOM 994 N GLY A 71 5.746 1.139 11.295 1.00 0.00 N ATOM 995 CA GLY A 71 7.139 0.740 11.185 1.00 0.00 C ATOM 996 C GLY A 71 7.376 -0.083 9.918 1.00 0.00 C ATOM 997 O GLY A 71 6.842 0.236 8.857 1.00 0.00 O ATOM 0 H GLY A 71 5.479 1.925 10.703 1.00 0.00 H new ATOM 0 HA2 GLY A 71 7.774 1.626 11.172 1.00 0.00 H new ATOM 0 HA3 GLY A 71 7.424 0.156 12.060 1.00 0.00 H new ATOM 1001 N SER A 72 8.179 -1.127 10.070 1.00 0.00 N ATOM 1002 CA SER A 72 8.494 -1.998 8.951 1.00 0.00 C ATOM 1003 C SER A 72 7.478 -3.140 8.875 1.00 0.00 C ATOM 1004 O SER A 72 7.588 -4.123 9.605 1.00 0.00 O ATOM 1005 CB SER A 72 9.913 -2.558 9.070 1.00 0.00 C ATOM 1006 OG SER A 72 10.902 -1.554 8.862 1.00 0.00 O ATOM 0 H SER A 72 8.621 -1.389 10.951 1.00 0.00 H new ATOM 0 HA SER A 72 8.440 -1.410 8.035 1.00 0.00 H new ATOM 0 HB2 SER A 72 10.047 -3.000 10.057 1.00 0.00 H new ATOM 0 HB3 SER A 72 10.049 -3.358 8.342 1.00 0.00 H new ATOM 0 HG SER A 72 11.794 -1.951 8.948 1.00 0.00 H new ATOM 1012 N PRO A 73 6.486 -2.966 7.962 1.00 0.00 N ATOM 1013 CA PRO A 73 5.451 -3.969 7.780 1.00 0.00 C ATOM 1014 C PRO A 73 5.990 -5.181 7.017 1.00 0.00 C ATOM 1015 O PRO A 73 5.238 -6.100 6.693 1.00 0.00 O ATOM 1016 CB PRO A 73 4.332 -3.253 7.043 1.00 0.00 C ATOM 1017 CG PRO A 73 4.963 -2.013 6.430 1.00 0.00 C ATOM 1018 CD PRO A 73 6.323 -1.814 7.079 1.00 0.00 C ATOM 0 HA PRO A 73 5.090 -4.376 8.725 1.00 0.00 H new ATOM 0 HB2 PRO A 73 3.900 -3.892 6.273 1.00 0.00 H new ATOM 0 HB3 PRO A 73 3.525 -2.984 7.724 1.00 0.00 H new ATOM 0 HG2 PRO A 73 5.068 -2.131 5.352 1.00 0.00 H new ATOM 0 HG3 PRO A 73 4.330 -1.141 6.595 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.116 -1.773 6.332 1.00 0.00 H new ATOM 0 HD3 PRO A 73 6.362 -0.879 7.637 1.00 0.00 H new ATOM 1026 N GLY A 74 7.287 -5.144 6.750 1.00 0.00 N ATOM 1027 CA GLY A 74 7.935 -6.227 6.031 1.00 0.00 C ATOM 1028 C GLY A 74 8.366 -5.777 4.634 1.00 0.00 C ATOM 1029 O GLY A 74 9.377 -5.092 4.482 1.00 0.00 O ATOM 0 H GLY A 74 7.907 -4.380 7.019 1.00 0.00 H new ATOM 0 HA2 GLY A 74 8.805 -6.571 6.591 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.253 -7.074 5.950 1.00 0.00 H new ATOM 1033 N ALA A 75 7.578 -6.178 3.648 1.00 0.00 N ATOM 1034 CA ALA A 75 7.866 -5.824 2.268 1.00 0.00 C ATOM 1035 C ALA A 75 6.554 -5.525 1.539 1.00 0.00 C ATOM 1036 O ALA A 75 6.479 -4.585 0.749 1.00 0.00 O ATOM 1037 CB ALA A 75 8.656 -6.953 1.605 1.00 0.00 C ATOM 0 H ALA A 75 6.740 -6.745 3.777 1.00 0.00 H new ATOM 0 HA ALA A 75 8.481 -4.926 2.223 1.00 0.00 H new ATOM 0 HB1 ALA A 75 8.872 -6.687 0.570 1.00 0.00 H new ATOM 0 HB2 ALA A 75 9.592 -7.107 2.143 1.00 0.00 H new ATOM 0 HB3 ALA A 75 8.069 -7.871 1.629 1.00 0.00 H new ATOM 1043 N ASP A 76 5.552 -6.341 1.831 1.00 0.00 N ATOM 1044 CA ASP A 76 4.248 -6.176 1.212 1.00 0.00 C ATOM 1045 C ASP A 76 3.670 -4.816 1.607 1.00 0.00 C ATOM 1046 O ASP A 76 3.675 -4.452 2.782 1.00 0.00 O ATOM 1047 CB ASP A 76 3.273 -7.258 1.683 1.00 0.00 C ATOM 1048 CG ASP A 76 3.874 -8.660 1.806 1.00 0.00 C ATOM 1049 OD1 ASP A 76 4.726 -8.990 0.954 1.00 0.00 O ATOM 1050 OD2 ASP A 76 3.468 -9.370 2.751 1.00 0.00 O ATOM 0 H ASP A 76 5.617 -7.118 2.488 1.00 0.00 H new ATOM 0 HA ASP A 76 4.376 -6.251 0.132 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.870 -6.965 2.652 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.434 -7.298 0.988 1.00 0.00 H new ATOM 1055 N ARG A 77 3.186 -4.100 0.602 1.00 0.00 N ATOM 1056 CA ARG A 77 2.605 -2.788 0.829 1.00 0.00 C ATOM 1057 C ARG A 77 1.532 -2.492 -0.220 1.00 0.00 C ATOM 1058 O ARG A 77 1.645 -2.925 -1.367 1.00 0.00 O ATOM 1059 CB ARG A 77 3.675 -1.696 0.776 1.00 0.00 C ATOM 1060 CG ARG A 77 4.953 -2.144 1.489 1.00 0.00 C ATOM 1061 CD ARG A 77 4.979 -1.642 2.935 1.00 0.00 C ATOM 1062 NE ARG A 77 6.360 -1.696 3.463 1.00 0.00 N ATOM 1063 CZ ARG A 77 6.873 -2.747 4.118 1.00 0.00 C ATOM 1064 NH1 ARG A 77 6.123 -3.837 4.326 1.00 0.00 N ATOM 1065 NH2 ARG A 77 8.136 -2.708 4.563 1.00 0.00 N ATOM 0 H ARG A 77 3.185 -4.404 -0.372 1.00 0.00 H new ATOM 0 HA ARG A 77 2.155 -2.793 1.822 1.00 0.00 H new ATOM 0 HB2 ARG A 77 3.900 -1.453 -0.262 1.00 0.00 H new ATOM 0 HB3 ARG A 77 3.295 -0.787 1.241 1.00 0.00 H new ATOM 0 HG2 ARG A 77 5.018 -3.232 1.477 1.00 0.00 H new ATOM 0 HG3 ARG A 77 5.824 -1.766 0.953 1.00 0.00 H new ATOM 0 HD2 ARG A 77 4.603 -0.620 2.981 1.00 0.00 H new ATOM 0 HD3 ARG A 77 4.320 -2.252 3.553 1.00 0.00 H new ATOM 0 HE ARG A 77 6.959 -0.883 3.320 1.00 0.00 H new ATOM 0 HH11 ARG A 77 5.162 -3.867 3.986 1.00 0.00 H new ATOM 0 HH12 ARG A 77 6.513 -4.637 4.824 1.00 0.00 H new ATOM 0 HH21 ARG A 77 8.708 -1.878 4.403 1.00 0.00 H new ATOM 0 HH22 ARG A 77 8.526 -3.508 5.061 1.00 0.00 H new ATOM 1079 N VAL A 78 0.516 -1.759 0.208 1.00 0.00 N ATOM 1080 CA VAL A 78 -0.576 -1.401 -0.681 1.00 0.00 C ATOM 1081 C VAL A 78 -0.566 0.112 -0.909 1.00 0.00 C ATOM 1082 O VAL A 78 -0.418 0.886 0.036 1.00 0.00 O ATOM 1083 CB VAL A 78 -1.901 -1.911 -0.113 1.00 0.00 C ATOM 1084 CG1 VAL A 78 -1.892 -1.876 1.417 1.00 0.00 C ATOM 1085 CG2 VAL A 78 -3.082 -1.114 -0.672 1.00 0.00 C ATOM 0 H VAL A 78 0.425 -1.403 1.159 1.00 0.00 H new ATOM 0 HA VAL A 78 -0.450 -1.877 -1.653 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.020 -2.949 -0.424 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -2.846 -2.244 1.795 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.086 -2.507 1.791 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.738 -0.852 1.757 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.012 -1.498 -0.251 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -2.970 -0.063 -0.406 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.107 -1.213 -1.757 1.00 0.00 H new ATOM 1095 N VAL A 79 -0.728 0.489 -2.169 1.00 0.00 N ATOM 1096 CA VAL A 79 -0.740 1.896 -2.534 1.00 0.00 C ATOM 1097 C VAL A 79 -2.147 2.288 -2.989 1.00 0.00 C ATOM 1098 O VAL A 79 -2.777 1.568 -3.760 1.00 0.00 O ATOM 1099 CB VAL A 79 0.329 2.171 -3.594 1.00 0.00 C ATOM 1100 CG1 VAL A 79 0.238 3.610 -4.104 1.00 0.00 C ATOM 1101 CG2 VAL A 79 1.728 1.869 -3.053 1.00 0.00 C ATOM 0 H VAL A 79 -0.852 -0.155 -2.950 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.492 2.516 -1.673 1.00 0.00 H new ATOM 0 HB VAL A 79 0.144 1.505 -4.437 1.00 0.00 H new ATOM 0 HG11 VAL A 79 1.009 3.779 -4.856 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.744 3.778 -4.547 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.384 4.300 -3.273 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.469 2.073 -3.826 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.926 2.498 -2.185 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.787 0.820 -2.762 1.00 0.00 H new ATOM 1111 N PHE A 80 -2.598 3.430 -2.489 1.00 0.00 N ATOM 1112 CA PHE A 80 -3.919 3.927 -2.834 1.00 0.00 C ATOM 1113 C PHE A 80 -3.971 5.454 -2.743 1.00 0.00 C ATOM 1114 O PHE A 80 -3.108 6.072 -2.124 1.00 0.00 O ATOM 1115 CB PHE A 80 -4.899 3.334 -1.819 1.00 0.00 C ATOM 1116 CG PHE A 80 -4.884 4.032 -0.458 1.00 0.00 C ATOM 1117 CD1 PHE A 80 -3.793 3.930 0.347 1.00 0.00 C ATOM 1118 CD2 PHE A 80 -5.962 4.757 -0.054 1.00 0.00 C ATOM 1119 CE1 PHE A 80 -3.780 4.579 1.610 1.00 0.00 C ATOM 1120 CE2 PHE A 80 -5.949 5.405 1.209 1.00 0.00 C ATOM 1121 CZ PHE A 80 -4.858 5.303 2.015 1.00 0.00 C ATOM 0 H PHE A 80 -2.072 4.024 -1.848 1.00 0.00 H new ATOM 0 HA PHE A 80 -4.169 3.642 -3.856 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -5.907 3.384 -2.231 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -4.665 2.279 -1.677 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -2.937 3.356 0.026 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -6.828 4.840 -0.694 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -2.914 4.498 2.250 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -6.806 5.979 1.530 1.00 0.00 H new ATOM 0 HZ PHE A 80 -4.848 5.796 2.976 1.00 0.00 H new ATOM 1131 N ASN A 81 -4.994 6.017 -3.371 1.00 0.00 N ATOM 1132 CA ASN A 81 -5.170 7.459 -3.369 1.00 0.00 C ATOM 1133 C ASN A 81 -6.351 7.823 -2.466 1.00 0.00 C ATOM 1134 O ASN A 81 -6.249 7.744 -1.243 1.00 0.00 O ATOM 1135 CB ASN A 81 -5.472 7.979 -4.776 1.00 0.00 C ATOM 1136 CG ASN A 81 -6.965 8.267 -4.944 1.00 0.00 C ATOM 1137 OD1 ASN A 81 -7.394 9.403 -5.073 1.00 0.00 O ATOM 1138 ND2 ASN A 81 -7.730 7.180 -4.937 1.00 0.00 N ATOM 0 H ASN A 81 -5.708 5.500 -3.884 1.00 0.00 H new ATOM 0 HA ASN A 81 -4.246 7.911 -3.008 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -4.899 8.887 -4.963 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -5.154 7.244 -5.515 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -8.741 7.267 -5.044 1.00 0.00 H new ATOM 1145 N GLU A 82 -7.444 8.213 -3.105 1.00 0.00 N ATOM 1146 CA GLU A 82 -8.642 8.590 -2.375 1.00 0.00 C ATOM 1147 C GLU A 82 -8.834 7.676 -1.163 1.00 0.00 C ATOM 1148 O GLU A 82 -8.788 8.135 -0.022 1.00 0.00 O ATOM 1149 CB GLU A 82 -9.871 8.558 -3.286 1.00 0.00 C ATOM 1150 CG GLU A 82 -11.143 8.893 -2.503 1.00 0.00 C ATOM 1151 CD GLU A 82 -12.225 9.453 -3.428 1.00 0.00 C ATOM 1152 OE1 GLU A 82 -12.267 9.002 -4.592 1.00 0.00 O ATOM 1153 OE2 GLU A 82 -12.987 10.322 -2.950 1.00 0.00 O ATOM 0 H GLU A 82 -7.525 8.276 -4.120 1.00 0.00 H new ATOM 0 HA GLU A 82 -8.521 9.613 -2.019 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -9.743 9.271 -4.101 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -9.967 7.571 -3.738 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -11.514 7.997 -2.004 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -10.914 9.620 -1.724 1.00 0.00 H new ATOM 1160 N ASN A 83 -9.046 6.401 -1.451 1.00 0.00 N ATOM 1161 CA ASN A 83 -9.246 5.418 -0.399 1.00 0.00 C ATOM 1162 C ASN A 83 -9.073 4.013 -0.979 1.00 0.00 C ATOM 1163 O ASN A 83 -8.033 3.383 -0.788 1.00 0.00 O ATOM 1164 CB ASN A 83 -10.656 5.518 0.187 1.00 0.00 C ATOM 1165 CG ASN A 83 -11.665 5.943 -0.883 1.00 0.00 C ATOM 1166 OD1 ASN A 83 -11.270 5.696 -2.128 1.00 0.00 O flip ATOM 1167 ND2 ASN A 83 -12.731 6.461 -0.595 1.00 0.00 N flip ATOM 0 H ASN A 83 -9.084 6.025 -2.398 1.00 0.00 H new ATOM 0 HA ASN A 83 -8.515 5.611 0.386 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -10.949 4.555 0.606 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -10.663 6.238 1.006 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -12.972 6.622 0.383 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -13.382 6.733 -1.332 1.00 0.00 H new ATOM 1174 N ASN A 84 -10.106 3.564 -1.676 1.00 0.00 N ATOM 1175 CA ASN A 84 -10.081 2.244 -2.285 1.00 0.00 C ATOM 1176 C ASN A 84 -9.431 2.338 -3.666 1.00 0.00 C ATOM 1177 O ASN A 84 -9.672 1.494 -4.528 1.00 0.00 O ATOM 1178 CB ASN A 84 -11.497 1.694 -2.464 1.00 0.00 C ATOM 1179 CG ASN A 84 -12.145 2.251 -3.734 1.00 0.00 C ATOM 1180 OD1 ASN A 84 -12.153 1.627 -4.782 1.00 0.00 O ATOM 1181 ND2 ASN A 84 -12.685 3.456 -3.581 1.00 0.00 N ATOM 0 H ASN A 84 -10.966 4.090 -1.833 1.00 0.00 H new ATOM 0 HA ASN A 84 -9.517 1.580 -1.630 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -11.465 0.606 -2.515 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -12.104 1.954 -1.597 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -13.142 3.914 -4.370 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -12.643 3.923 -2.675 1.00 0.00 H new ATOM 1188 N GLN A 85 -8.620 3.372 -3.835 1.00 0.00 N ATOM 1189 CA GLN A 85 -7.933 3.587 -5.098 1.00 0.00 C ATOM 1190 C GLN A 85 -6.655 2.748 -5.156 1.00 0.00 C ATOM 1191 O GLN A 85 -5.687 3.131 -5.811 1.00 0.00 O ATOM 1192 CB GLN A 85 -7.626 5.071 -5.308 1.00 0.00 C ATOM 1193 CG GLN A 85 -7.903 5.875 -4.038 1.00 0.00 C ATOM 1194 CD GLN A 85 -7.270 5.206 -2.816 1.00 0.00 C ATOM 1195 OE1 GLN A 85 -6.366 5.731 -2.187 1.00 0.00 O ATOM 1196 NE2 GLN A 85 -7.793 4.020 -2.517 1.00 0.00 N ATOM 0 H GLN A 85 -8.423 4.070 -3.118 1.00 0.00 H new ATOM 0 HA GLN A 85 -8.590 3.268 -5.907 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -6.582 5.192 -5.598 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.232 5.459 -6.127 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -7.508 6.885 -4.149 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.979 5.968 -3.890 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -8.549 3.638 -3.086 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -7.438 3.493 -1.719 1.00 0.00 H new ATOM 1205 N LEU A 86 -6.693 1.620 -4.462 1.00 0.00 N ATOM 1206 CA LEU A 86 -5.549 0.725 -4.426 1.00 0.00 C ATOM 1207 C LEU A 86 -4.737 0.890 -5.713 1.00 0.00 C ATOM 1208 O LEU A 86 -5.219 0.579 -6.800 1.00 0.00 O ATOM 1209 CB LEU A 86 -6.003 -0.713 -4.168 1.00 0.00 C ATOM 1210 CG LEU A 86 -5.460 -1.772 -5.130 1.00 0.00 C ATOM 1211 CD1 LEU A 86 -4.327 -2.571 -4.483 1.00 0.00 C ATOM 1212 CD2 LEU A 86 -6.582 -2.678 -5.638 1.00 0.00 C ATOM 0 H LEU A 86 -7.498 1.305 -3.920 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.890 0.982 -3.597 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.712 -0.988 -3.154 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -7.092 -0.741 -4.206 1.00 0.00 H new ATOM 0 HG LEU A 86 -5.040 -1.262 -5.997 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.959 -3.317 -5.188 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.515 -1.896 -4.212 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.699 -3.070 -3.588 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -6.169 -3.421 -6.320 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -7.053 -3.182 -4.794 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -7.325 -2.078 -6.163 1.00 0.00 H new ATOM 1224 N ALA A 87 -3.518 1.382 -5.545 1.00 0.00 N ATOM 1225 CA ALA A 87 -2.634 1.593 -6.678 1.00 0.00 C ATOM 1226 C ALA A 87 -2.176 0.238 -7.221 1.00 0.00 C ATOM 1227 O ALA A 87 -2.058 0.059 -8.433 1.00 0.00 O ATOM 1228 CB ALA A 87 -1.460 2.477 -6.253 1.00 0.00 C ATOM 0 H ALA A 87 -3.122 1.640 -4.641 1.00 0.00 H new ATOM 0 HA ALA A 87 -3.158 2.111 -7.481 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.797 2.635 -7.104 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -1.836 3.438 -5.903 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -0.909 1.989 -5.449 1.00 0.00 H new ATOM 1234 N GLY A 88 -1.929 -0.680 -6.300 1.00 0.00 N ATOM 1235 CA GLY A 88 -1.487 -2.014 -6.672 1.00 0.00 C ATOM 1236 C GLY A 88 -1.010 -2.795 -5.446 1.00 0.00 C ATOM 1237 O GLY A 88 -1.651 -2.763 -4.397 1.00 0.00 O ATOM 0 H GLY A 88 -2.026 -0.527 -5.296 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -2.304 -2.551 -7.154 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -0.679 -1.943 -7.400 1.00 0.00 H new ATOM 1241 N VAL A 89 0.113 -3.477 -5.619 1.00 0.00 N ATOM 1242 CA VAL A 89 0.683 -4.266 -4.539 1.00 0.00 C ATOM 1243 C VAL A 89 2.208 -4.257 -4.657 1.00 0.00 C ATOM 1244 O VAL A 89 2.787 -5.111 -5.326 1.00 0.00 O ATOM 1245 CB VAL A 89 0.090 -5.676 -4.551 1.00 0.00 C ATOM 1246 CG1 VAL A 89 0.759 -6.561 -3.498 1.00 0.00 C ATOM 1247 CG2 VAL A 89 -1.427 -5.636 -4.351 1.00 0.00 C ATOM 0 H VAL A 89 0.643 -3.500 -6.490 1.00 0.00 H new ATOM 0 HA VAL A 89 0.429 -3.830 -3.573 1.00 0.00 H new ATOM 0 HB VAL A 89 0.287 -6.113 -5.530 1.00 0.00 H new ATOM 0 HG11 VAL A 89 0.319 -7.558 -3.528 1.00 0.00 H new ATOM 0 HG12 VAL A 89 1.827 -6.629 -3.705 1.00 0.00 H new ATOM 0 HG13 VAL A 89 0.609 -6.127 -2.509 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.823 -6.652 -4.364 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.655 -5.170 -3.393 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -1.885 -5.058 -5.154 1.00 0.00 H new ATOM 1257 N ILE A 90 2.815 -3.282 -3.997 1.00 0.00 N ATOM 1258 CA ILE A 90 4.262 -3.151 -4.021 1.00 0.00 C ATOM 1259 C ILE A 90 4.867 -4.033 -2.927 1.00 0.00 C ATOM 1260 O ILE A 90 4.159 -4.493 -2.032 1.00 0.00 O ATOM 1261 CB ILE A 90 4.669 -1.679 -3.919 1.00 0.00 C ATOM 1262 CG1 ILE A 90 4.340 -1.114 -2.534 1.00 0.00 C ATOM 1263 CG2 ILE A 90 4.032 -0.856 -5.039 1.00 0.00 C ATOM 1264 CD1 ILE A 90 4.243 0.412 -2.574 1.00 0.00 C ATOM 0 H ILE A 90 2.332 -2.575 -3.443 1.00 0.00 H new ATOM 0 HA ILE A 90 4.661 -3.503 -4.973 1.00 0.00 H new ATOM 0 HB ILE A 90 5.750 -1.613 -4.046 1.00 0.00 H new ATOM 0 HG12 ILE A 90 3.398 -1.533 -2.181 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.109 -1.415 -1.822 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.337 0.186 -4.944 1.00 0.00 H new ATOM 0 HG22 ILE A 90 4.358 -1.242 -6.005 1.00 0.00 H new ATOM 0 HG23 ILE A 90 2.946 -0.924 -4.968 1.00 0.00 H new ATOM 0 HD11 ILE A 90 4.008 0.788 -1.578 1.00 0.00 H new ATOM 0 HD12 ILE A 90 5.195 0.829 -2.904 1.00 0.00 H new ATOM 0 HD13 ILE A 90 3.457 0.709 -3.268 1.00 0.00 H new ATOM 1276 N THR A 91 6.171 -4.242 -3.033 1.00 0.00 N ATOM 1277 CA THR A 91 6.880 -5.062 -2.065 1.00 0.00 C ATOM 1278 C THR A 91 8.360 -4.678 -2.024 1.00 0.00 C ATOM 1279 O THR A 91 8.933 -4.286 -3.040 1.00 0.00 O ATOM 1280 CB THR A 91 6.642 -6.529 -2.423 1.00 0.00 C ATOM 1281 OG1 THR A 91 7.824 -7.190 -1.980 1.00 0.00 O ATOM 1282 CG2 THR A 91 6.626 -6.768 -3.934 1.00 0.00 C ATOM 0 H THR A 91 6.756 -3.857 -3.775 1.00 0.00 H new ATOM 0 HA THR A 91 6.505 -4.895 -1.055 1.00 0.00 H new ATOM 0 HB THR A 91 5.696 -6.859 -1.993 1.00 0.00 H new ATOM 0 HG1 THR A 91 7.754 -8.148 -2.172 1.00 0.00 H new ATOM 0 HG21 THR A 91 6.454 -7.826 -4.133 1.00 0.00 H new ATOM 0 HG22 THR A 91 5.829 -6.179 -4.387 1.00 0.00 H new ATOM 0 HG23 THR A 91 7.584 -6.470 -4.360 1.00 0.00 H new ATOM 1290 N HIS A 92 8.939 -4.803 -0.838 1.00 0.00 N ATOM 1291 CA HIS A 92 10.341 -4.475 -0.650 1.00 0.00 C ATOM 1292 C HIS A 92 11.211 -5.514 -1.361 1.00 0.00 C ATOM 1293 O HIS A 92 12.430 -5.525 -1.198 1.00 0.00 O ATOM 1294 CB HIS A 92 10.675 -4.340 0.836 1.00 0.00 C ATOM 1295 CG HIS A 92 10.189 -3.052 1.459 1.00 0.00 C ATOM 1296 ND1 HIS A 92 10.906 -2.372 2.429 1.00 0.00 N ATOM 1297 CD2 HIS A 92 9.054 -2.328 1.240 1.00 0.00 C ATOM 1298 CE1 HIS A 92 10.222 -1.290 2.772 1.00 0.00 C ATOM 1299 NE2 HIS A 92 9.075 -1.265 2.034 1.00 0.00 N ATOM 0 H HIS A 92 8.461 -5.127 0.003 1.00 0.00 H new ATOM 0 HA HIS A 92 10.553 -3.505 -1.099 1.00 0.00 H new ATOM 0 HB2 HIS A 92 10.237 -5.180 1.374 1.00 0.00 H new ATOM 0 HB3 HIS A 92 11.755 -4.408 0.963 1.00 0.00 H new ATOM 0 HD2 HIS A 92 8.271 -2.578 0.539 1.00 0.00 H new ATOM 0 HE1 HIS A 92 10.520 -0.557 3.507 1.00 0.00 H new ATOM 0 HE2 HIS A 92 8.352 -0.547 2.084 1.00 0.00 H new ATOM 1308 N THR A 93 10.550 -6.364 -2.133 1.00 0.00 N ATOM 1309 CA THR A 93 11.247 -7.405 -2.869 1.00 0.00 C ATOM 1310 C THR A 93 12.478 -6.829 -3.571 1.00 0.00 C ATOM 1311 O THR A 93 12.486 -6.673 -4.791 1.00 0.00 O ATOM 1312 CB THR A 93 10.249 -8.055 -3.828 1.00 0.00 C ATOM 1313 OG1 THR A 93 9.696 -9.132 -3.077 1.00 0.00 O ATOM 1314 CG2 THR A 93 10.936 -8.741 -5.012 1.00 0.00 C ATOM 0 H THR A 93 9.539 -6.353 -2.265 1.00 0.00 H new ATOM 0 HA THR A 93 11.626 -8.177 -2.199 1.00 0.00 H new ATOM 0 HB THR A 93 9.557 -7.299 -4.198 1.00 0.00 H new ATOM 0 HG1 THR A 93 9.036 -9.607 -3.624 1.00 0.00 H new ATOM 0 HG21 THR A 93 10.183 -9.186 -5.662 1.00 0.00 H new ATOM 0 HG22 THR A 93 11.512 -8.006 -5.574 1.00 0.00 H new ATOM 0 HG23 THR A 93 11.604 -9.520 -4.644 1.00 0.00 H new ATOM 1322 N GLY A 94 13.490 -6.529 -2.770 1.00 0.00 N ATOM 1323 CA GLY A 94 14.724 -5.973 -3.299 1.00 0.00 C ATOM 1324 C GLY A 94 14.495 -4.572 -3.870 1.00 0.00 C ATOM 1325 O GLY A 94 15.159 -3.618 -3.469 1.00 0.00 O ATOM 0 H GLY A 94 13.481 -6.660 -1.759 1.00 0.00 H new ATOM 0 HA2 GLY A 94 15.475 -5.930 -2.510 1.00 0.00 H new ATOM 0 HA3 GLY A 94 15.117 -6.627 -4.077 1.00 0.00 H new ATOM 1329 N ALA A 95 13.552 -4.493 -4.798 1.00 0.00 N ATOM 1330 CA ALA A 95 13.226 -3.225 -5.428 1.00 0.00 C ATOM 1331 C ALA A 95 14.516 -2.446 -5.691 1.00 0.00 C ATOM 1332 O ALA A 95 14.492 -1.221 -5.811 1.00 0.00 O ATOM 1333 CB ALA A 95 12.247 -2.452 -4.542 1.00 0.00 C ATOM 0 H ALA A 95 13.003 -5.287 -5.129 1.00 0.00 H new ATOM 0 HA ALA A 95 12.737 -3.387 -6.389 1.00 0.00 H new ATOM 0 HB1 ALA A 95 12.002 -1.501 -5.014 1.00 0.00 H new ATOM 0 HB2 ALA A 95 11.336 -3.036 -4.410 1.00 0.00 H new ATOM 0 HB3 ALA A 95 12.704 -2.267 -3.570 1.00 0.00 H new ATOM 1339 N SER A 96 15.611 -3.187 -5.773 1.00 0.00 N ATOM 1340 CA SER A 96 16.908 -2.580 -6.019 1.00 0.00 C ATOM 1341 C SER A 96 17.359 -1.789 -4.790 1.00 0.00 C ATOM 1342 O SER A 96 18.239 -0.936 -4.884 1.00 0.00 O ATOM 1343 CB SER A 96 16.866 -1.670 -7.249 1.00 0.00 C ATOM 1344 OG SER A 96 18.170 -1.375 -7.740 1.00 0.00 O ATOM 0 H SER A 96 15.627 -4.202 -5.673 1.00 0.00 H new ATOM 0 HA SER A 96 17.626 -3.377 -6.213 1.00 0.00 H new ATOM 0 HB2 SER A 96 16.283 -2.150 -8.035 1.00 0.00 H new ATOM 0 HB3 SER A 96 16.356 -0.741 -6.995 1.00 0.00 H new ATOM 0 HG SER A 96 18.737 -1.071 -7.001 1.00 0.00 H new ATOM 1350 N GLY A 97 16.734 -2.100 -3.664 1.00 0.00 N ATOM 1351 CA GLY A 97 17.059 -1.429 -2.417 1.00 0.00 C ATOM 1352 C GLY A 97 15.829 -1.326 -1.513 1.00 0.00 C ATOM 1353 O GLY A 97 15.156 -2.323 -1.257 1.00 0.00 O ATOM 0 H GLY A 97 16.004 -2.808 -3.589 1.00 0.00 H new ATOM 0 HA2 GLY A 97 17.849 -1.975 -1.901 1.00 0.00 H new ATOM 0 HA3 GLY A 97 17.445 -0.432 -2.627 1.00 0.00 H new ATOM 1357 N ASN A 98 15.572 -0.110 -1.054 1.00 0.00 N ATOM 1358 CA ASN A 98 14.435 0.137 -0.184 1.00 0.00 C ATOM 1359 C ASN A 98 13.252 0.623 -1.023 1.00 0.00 C ATOM 1360 O ASN A 98 12.227 1.031 -0.480 1.00 0.00 O ATOM 1361 CB ASN A 98 14.756 1.218 0.850 1.00 0.00 C ATOM 1362 CG ASN A 98 13.502 1.626 1.625 1.00 0.00 C ATOM 1363 OD1 ASN A 98 12.637 0.635 1.814 1.00 0.00 O flip ATOM 1364 ND2 ASN A 98 13.333 2.766 2.025 1.00 0.00 N flip ATOM 0 H ASN A 98 16.132 0.715 -1.268 1.00 0.00 H new ATOM 0 HA ASN A 98 14.196 -0.794 0.330 1.00 0.00 H new ATOM 0 HB2 ASN A 98 15.512 0.850 1.543 1.00 0.00 H new ATOM 0 HB3 ASN A 98 15.179 2.090 0.351 1.00 0.00 H new ATOM 0 HD21 ASN A 98 14.039 3.480 1.845 1.00 0.00 H new ATOM 0 HD22 ASN A 98 12.486 3.006 2.540 1.00 0.00 H new ATOM 1371 N ASN A 99 13.433 0.564 -2.335 1.00 0.00 N ATOM 1372 CA ASN A 99 12.394 0.993 -3.255 1.00 0.00 C ATOM 1373 C ASN A 99 11.193 0.053 -3.135 1.00 0.00 C ATOM 1374 O ASN A 99 11.039 -0.639 -2.129 1.00 0.00 O ATOM 1375 CB ASN A 99 12.888 0.948 -4.702 1.00 0.00 C ATOM 1376 CG ASN A 99 14.348 1.392 -4.798 1.00 0.00 C ATOM 1377 OD1 ASN A 99 15.225 0.413 -4.597 1.00 0.00 O flip ATOM 1378 ND2 ASN A 99 14.659 2.547 -5.039 1.00 0.00 N flip ATOM 0 H ASN A 99 14.285 0.225 -2.782 1.00 0.00 H new ATOM 0 HA ASN A 99 12.118 2.016 -3.000 1.00 0.00 H new ATOM 0 HB2 ASN A 99 12.786 -0.064 -5.093 1.00 0.00 H new ATOM 0 HB3 ASN A 99 12.266 1.594 -5.322 1.00 0.00 H new ATOM 0 HD21 ASN A 99 13.935 3.251 -5.183 1.00 0.00 H new ATOM 0 HD22 ASN A 99 15.643 2.809 -5.096 1.00 0.00 H new ATOM 1385 N PHE A 100 10.372 0.058 -4.175 1.00 0.00 N ATOM 1386 CA PHE A 100 9.189 -0.786 -4.198 1.00 0.00 C ATOM 1387 C PHE A 100 8.948 -1.352 -5.600 1.00 0.00 C ATOM 1388 O PHE A 100 9.536 -0.883 -6.572 1.00 0.00 O ATOM 1389 CB PHE A 100 8.003 0.096 -3.805 1.00 0.00 C ATOM 1390 CG PHE A 100 7.913 0.387 -2.306 1.00 0.00 C ATOM 1391 CD1 PHE A 100 7.570 -0.605 -1.440 1.00 0.00 C ATOM 1392 CD2 PHE A 100 8.176 1.637 -1.839 1.00 0.00 C ATOM 1393 CE1 PHE A 100 7.487 -0.334 -0.048 1.00 0.00 C ATOM 1394 CE2 PHE A 100 8.092 1.907 -0.448 1.00 0.00 C ATOM 1395 CZ PHE A 100 7.750 0.916 0.418 1.00 0.00 C ATOM 0 H PHE A 100 10.502 0.633 -5.007 1.00 0.00 H new ATOM 0 HA PHE A 100 9.316 -1.625 -3.513 1.00 0.00 H new ATOM 0 HB2 PHE A 100 8.072 1.041 -4.344 1.00 0.00 H new ATOM 0 HB3 PHE A 100 7.081 -0.388 -4.127 1.00 0.00 H new ATOM 0 HD1 PHE A 100 7.361 -1.598 -1.811 1.00 0.00 H new ATOM 0 HD2 PHE A 100 8.449 2.424 -2.526 1.00 0.00 H new ATOM 0 HE1 PHE A 100 7.215 -1.121 0.640 1.00 0.00 H new ATOM 0 HE2 PHE A 100 8.300 2.900 -0.077 1.00 0.00 H new ATOM 0 HZ PHE A 100 7.687 1.122 1.476 1.00 0.00 H new ATOM 1405 N VAL A 101 8.081 -2.353 -5.657 1.00 0.00 N ATOM 1406 CA VAL A 101 7.755 -2.988 -6.923 1.00 0.00 C ATOM 1407 C VAL A 101 6.469 -3.802 -6.763 1.00 0.00 C ATOM 1408 O VAL A 101 6.300 -4.514 -5.774 1.00 0.00 O ATOM 1409 CB VAL A 101 8.938 -3.827 -7.408 1.00 0.00 C ATOM 1410 CG1 VAL A 101 10.127 -2.937 -7.777 1.00 0.00 C ATOM 1411 CG2 VAL A 101 9.337 -4.869 -6.361 1.00 0.00 C ATOM 0 H VAL A 101 7.595 -2.739 -4.848 1.00 0.00 H new ATOM 0 HA VAL A 101 7.571 -2.237 -7.691 1.00 0.00 H new ATOM 0 HB VAL A 101 8.626 -4.358 -8.307 1.00 0.00 H new ATOM 0 HG11 VAL A 101 10.955 -3.559 -8.119 1.00 0.00 H new ATOM 0 HG12 VAL A 101 9.835 -2.252 -8.573 1.00 0.00 H new ATOM 0 HG13 VAL A 101 10.439 -2.366 -6.903 1.00 0.00 H new ATOM 0 HG21 VAL A 101 10.180 -5.452 -6.731 1.00 0.00 H new ATOM 0 HG22 VAL A 101 9.621 -4.366 -5.437 1.00 0.00 H new ATOM 0 HG23 VAL A 101 8.494 -5.533 -6.168 1.00 0.00 H new ATOM 1421 N GLU A 102 5.596 -3.669 -7.751 1.00 0.00 N ATOM 1422 CA GLU A 102 4.332 -4.384 -7.733 1.00 0.00 C ATOM 1423 C GLU A 102 4.574 -5.889 -7.595 1.00 0.00 C ATOM 1424 O GLU A 102 5.316 -6.476 -8.381 1.00 0.00 O ATOM 1425 CB GLU A 102 3.508 -4.074 -8.983 1.00 0.00 C ATOM 1426 CG GLU A 102 3.932 -2.740 -9.602 1.00 0.00 C ATOM 1427 CD GLU A 102 2.809 -2.150 -10.456 1.00 0.00 C ATOM 1428 OE1 GLU A 102 1.762 -1.811 -9.862 1.00 0.00 O ATOM 1429 OE2 GLU A 102 3.022 -2.049 -11.684 1.00 0.00 O ATOM 0 H GLU A 102 5.740 -3.077 -8.569 1.00 0.00 H new ATOM 0 HA GLU A 102 3.760 -4.047 -6.868 1.00 0.00 H new ATOM 0 HB2 GLU A 102 3.633 -4.874 -9.713 1.00 0.00 H new ATOM 0 HB3 GLU A 102 2.449 -4.040 -8.726 1.00 0.00 H new ATOM 0 HG2 GLU A 102 4.201 -2.038 -8.813 1.00 0.00 H new ATOM 0 HG3 GLU A 102 4.821 -2.886 -10.215 1.00 0.00 H new ATOM 1436 N CYS A 103 3.934 -6.469 -6.591 1.00 0.00 N ATOM 1437 CA CYS A 103 4.070 -7.895 -6.341 1.00 0.00 C ATOM 1438 C CYS A 103 3.692 -8.646 -7.619 1.00 0.00 C ATOM 1439 O CYS A 103 3.617 -8.051 -8.693 1.00 0.00 O ATOM 1440 CB CYS A 103 3.228 -8.343 -5.145 1.00 0.00 C ATOM 1441 SG CYS A 103 3.604 -7.481 -3.575 1.00 0.00 S ATOM 0 H CYS A 103 3.320 -5.978 -5.941 1.00 0.00 H new ATOM 0 HA CYS A 103 5.103 -8.123 -6.079 1.00 0.00 H new ATOM 0 HB2 CYS A 103 2.175 -8.192 -5.383 1.00 0.00 H new ATOM 0 HB3 CYS A 103 3.371 -9.414 -4.999 1.00 0.00 H new ATOM 0 HG CYS A 103 2.787 -7.889 -2.650 1.00 0.00 H new ATOM 1446 N THR A 104 3.462 -9.941 -7.460 1.00 0.00 N ATOM 1447 CA THR A 104 3.092 -10.779 -8.588 1.00 0.00 C ATOM 1448 C THR A 104 1.624 -11.195 -8.485 1.00 0.00 C ATOM 1449 O THR A 104 0.749 -10.547 -9.057 1.00 0.00 O ATOM 1450 CB THR A 104 4.058 -11.964 -8.633 1.00 0.00 C ATOM 1451 OG1 THR A 104 3.792 -12.675 -7.427 1.00 0.00 O ATOM 1452 CG2 THR A 104 5.520 -11.534 -8.497 1.00 0.00 C ATOM 0 H THR A 104 3.525 -10.430 -6.567 1.00 0.00 H new ATOM 0 HA THR A 104 3.177 -10.236 -9.529 1.00 0.00 H new ATOM 0 HB THR A 104 3.925 -12.505 -9.570 1.00 0.00 H new ATOM 0 HG1 THR A 104 4.112 -12.153 -6.662 1.00 0.00 H new ATOM 0 HG21 THR A 104 6.163 -12.413 -8.535 1.00 0.00 H new ATOM 0 HG22 THR A 104 5.778 -10.860 -9.314 1.00 0.00 H new ATOM 0 HG23 THR A 104 5.662 -11.022 -7.545 1.00 0.00 H new