USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 757 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 50 ASN : amide:sc= 0.843 K(o=-1.3,f=2.1) USER MOD Set 1.2: A 110 TYR OH : rot 180:sc= 0.744 USER MOD Set 1.3: A 112 HIS : no HD1:sc= -2.84 K(o=-1.3,f=2.2) USER MOD Set 2.1: A 76 ASN : amide:sc= 0.559 K(o=1.1,f=-0.44) USER MOD Set 2.2: A 82 THR OG1 : rot 116:sc= 0.491 USER MOD Set 3.1: A 60 GLN : amide:sc= -1.32! K(o=-1.1!,f=-0.21) USER MOD Set 3.2: A 62 SER OG : rot -17:sc= 0.235 USER MOD Set 4.1: A 21 TYR OH : rot -65:sc= 0.0367 USER MOD Set 4.2: A 30 SER OG : rot 79:sc= 1.69 USER MOD Set 5.1: A 12 THR OG1 : rot 110:sc= 0.0812 USER MOD Set 5.2: A 15 GLN : amide:sc= -0.474 X(o=-0.39,f=-0.52) USER MOD Single : A 1 GLY N :NH3+ 130:sc= 0.0336 (180deg=0) USER MOD Single : A 2 SER OG : rot -74:sc= 0.001 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -5! C(o=-5!,f=-16!) USER MOD Single : A 11 TYR OH : rot 53:sc= 1.76 USER MOD Single : A 16 CYS SG : rot -84:sc= -0.679! USER MOD Single : A 17 THR OG1 : rot 129:sc= 1.81 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 139:sc= 1.3 (180deg=0.976) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.0242 USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 ASN : amide:sc= -0.0191 K(o=-0.019,f=-0.88) USER MOD Single : A 37 ASN : amide:sc= -1.14 K(o=-1.1,f=-0.52) USER MOD Single : A 43 GLN : amide:sc= -1.57! X(o=-1.6!,f=-1.1) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -0.6 X(o=-0.6,f=-0.21) USER MOD Single : A 52 THR OG1 : rot -21:sc= 0.716 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -168:sc= -0.0313 (180deg=-0.231) USER MOD Single : A 61 SER OG : rot -75:sc= 0.939 USER MOD Single : A 68 HIS : no HE2:sc= 0.0756 C(o=1.1!,f=-11!) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 145:sc= 1.23 USER MOD Single : A 86 MET CE :methyl 148:sc= -0.312 (180deg=-1.12) USER MOD Single : A 87 ASN : amide:sc= 0.536 K(o=0.54,f=-5.7!) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 87:sc= 0.435 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 89:sc= 0.276 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= -0.0588 X(o=-0.059,f=0) USER MOD Single : A 108 TYR OH : rot 130:sc= 0.183 USER MOD Single : A 109 ASN : amide:sc= -0.187 X(o=-0.19,f=-0.029) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -30.981 -4.671 14.514 1.00 0.00 N ATOM 2 CA GLY A 1 -30.593 -3.289 14.154 1.00 0.00 C ATOM 3 C GLY A 1 -29.297 -3.256 13.383 1.00 0.00 C ATOM 4 O GLY A 1 -28.430 -4.105 13.582 1.00 0.00 O ATOM 0 H1 GLY A 1 -31.207 -4.715 15.528 1.00 0.00 H new ATOM 0 H2 GLY A 1 -31.815 -4.953 13.960 1.00 0.00 H new ATOM 0 H3 GLY A 1 -30.193 -5.318 14.307 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -31.383 -2.833 13.557 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -30.493 -2.691 15.060 1.00 0.00 H new ATOM 10 N SER A 2 -29.163 -2.285 12.494 1.00 0.00 N ATOM 11 CA SER A 2 -27.953 -2.142 11.712 1.00 0.00 C ATOM 12 C SER A 2 -26.943 -1.299 12.483 1.00 0.00 C ATOM 13 O SER A 2 -27.094 -0.082 12.600 1.00 0.00 O ATOM 14 CB SER A 2 -28.262 -1.505 10.355 1.00 0.00 C ATOM 15 OG SER A 2 -27.142 -1.568 9.488 1.00 0.00 O ATOM 0 H SER A 2 -29.879 -1.586 12.298 1.00 0.00 H new ATOM 0 HA SER A 2 -27.527 -3.129 11.531 1.00 0.00 H new ATOM 0 HB2 SER A 2 -29.109 -2.015 9.896 1.00 0.00 H new ATOM 0 HB3 SER A 2 -28.556 -0.465 10.498 1.00 0.00 H new ATOM 0 HG SER A 2 -26.472 -0.912 9.771 1.00 0.00 H new ATOM 21 N SER A 3 -25.935 -1.960 13.029 1.00 0.00 N ATOM 22 CA SER A 3 -24.920 -1.292 13.823 1.00 0.00 C ATOM 23 C SER A 3 -23.891 -0.607 12.933 1.00 0.00 C ATOM 24 O SER A 3 -23.325 0.419 13.305 1.00 0.00 O ATOM 25 CB SER A 3 -24.236 -2.304 14.738 1.00 0.00 C ATOM 26 OG SER A 3 -25.193 -3.014 15.510 1.00 0.00 O ATOM 0 H SER A 3 -25.799 -2.966 12.935 1.00 0.00 H new ATOM 0 HA SER A 3 -25.403 -0.525 14.428 1.00 0.00 H new ATOM 0 HB2 SER A 3 -23.652 -3.004 14.141 1.00 0.00 H new ATOM 0 HB3 SER A 3 -23.538 -1.790 15.399 1.00 0.00 H new ATOM 0 HG SER A 3 -24.734 -3.658 16.088 1.00 0.00 H new ATOM 32 N ILE A 4 -23.656 -1.168 11.754 1.00 0.00 N ATOM 33 CA ILE A 4 -22.675 -0.601 10.843 1.00 0.00 C ATOM 34 C ILE A 4 -23.348 0.199 9.734 1.00 0.00 C ATOM 35 O ILE A 4 -24.276 -0.275 9.074 1.00 0.00 O ATOM 36 CB ILE A 4 -21.750 -1.680 10.231 1.00 0.00 C ATOM 37 CG1 ILE A 4 -22.564 -2.771 9.525 1.00 0.00 C ATOM 38 CG2 ILE A 4 -20.866 -2.286 11.314 1.00 0.00 C ATOM 39 CD1 ILE A 4 -21.716 -3.801 8.809 1.00 0.00 C ATOM 0 H ILE A 4 -24.126 -2.005 11.410 1.00 0.00 H new ATOM 0 HA ILE A 4 -22.055 0.071 11.436 1.00 0.00 H new ATOM 0 HB ILE A 4 -21.115 -1.203 9.484 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -23.190 -3.277 10.260 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -23.234 -2.302 8.805 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -20.219 -3.044 10.873 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -20.255 -1.504 11.764 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -21.492 -2.744 12.080 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -22.363 -4.539 8.335 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -21.109 -3.308 8.049 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -21.064 -4.298 9.527 1.00 0.00 H new ATOM 51 N SER A 5 -22.882 1.418 9.548 1.00 0.00 N ATOM 52 CA SER A 5 -23.410 2.292 8.515 1.00 0.00 C ATOM 53 C SER A 5 -22.276 2.726 7.595 1.00 0.00 C ATOM 54 O SER A 5 -22.394 2.671 6.373 1.00 0.00 O ATOM 55 CB SER A 5 -24.094 3.506 9.142 1.00 0.00 C ATOM 56 OG SER A 5 -25.086 3.107 10.076 1.00 0.00 O ATOM 0 H SER A 5 -22.132 1.830 10.103 1.00 0.00 H new ATOM 0 HA SER A 5 -24.155 1.753 7.931 1.00 0.00 H new ATOM 0 HB2 SER A 5 -23.351 4.129 9.640 1.00 0.00 H new ATOM 0 HB3 SER A 5 -24.549 4.115 8.361 1.00 0.00 H new ATOM 0 HG SER A 5 -25.508 3.902 10.465 1.00 0.00 H new ATOM 62 N HIS A 6 -21.175 3.156 8.198 1.00 0.00 N ATOM 63 CA HIS A 6 -19.953 3.427 7.455 1.00 0.00 C ATOM 64 C HIS A 6 -19.023 2.229 7.562 1.00 0.00 C ATOM 65 O HIS A 6 -18.548 1.904 8.650 1.00 0.00 O ATOM 66 CB HIS A 6 -19.244 4.681 7.981 1.00 0.00 C ATOM 67 CG HIS A 6 -19.960 5.959 7.678 1.00 0.00 C ATOM 68 ND1 HIS A 6 -19.597 6.796 6.651 1.00 0.00 N ATOM 69 CD2 HIS A 6 -21.013 6.547 8.284 1.00 0.00 C ATOM 70 CE1 HIS A 6 -20.393 7.847 6.640 1.00 0.00 C ATOM 71 NE2 HIS A 6 -21.266 7.722 7.623 1.00 0.00 N ATOM 0 H HIS A 6 -21.104 3.325 9.201 1.00 0.00 H new ATOM 0 HA HIS A 6 -20.218 3.604 6.412 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -19.124 4.591 9.061 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -18.243 4.727 7.551 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -21.557 6.163 9.134 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -20.340 8.671 5.944 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -22.004 8.387 7.852 1.00 0.00 H new ATOM 80 N SER A 7 -18.791 1.557 6.443 1.00 0.00 N ATOM 81 CA SER A 7 -17.916 0.396 6.425 1.00 0.00 C ATOM 82 C SER A 7 -16.492 0.805 6.802 1.00 0.00 C ATOM 83 O SER A 7 -15.778 0.068 7.488 1.00 0.00 O ATOM 84 CB SER A 7 -17.938 -0.261 5.041 1.00 0.00 C ATOM 85 OG SER A 7 -17.380 -1.562 5.076 1.00 0.00 O ATOM 0 H SER A 7 -19.196 1.796 5.538 1.00 0.00 H new ATOM 0 HA SER A 7 -18.274 -0.328 7.157 1.00 0.00 H new ATOM 0 HB2 SER A 7 -18.965 -0.314 4.678 1.00 0.00 H new ATOM 0 HB3 SER A 7 -17.382 0.356 4.335 1.00 0.00 H new ATOM 0 HG SER A 7 -17.410 -1.955 4.179 1.00 0.00 H new ATOM 91 N GLY A 8 -16.092 1.991 6.358 1.00 0.00 N ATOM 92 CA GLY A 8 -14.797 2.520 6.730 1.00 0.00 C ATOM 93 C GLY A 8 -13.995 2.982 5.534 1.00 0.00 C ATOM 94 O GLY A 8 -13.294 3.994 5.599 1.00 0.00 O ATOM 0 H GLY A 8 -16.643 2.594 5.747 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -14.933 3.355 7.417 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -14.236 1.755 7.266 1.00 0.00 H new ATOM 98 N ASN A 9 -14.110 2.255 4.435 1.00 0.00 N ATOM 99 CA ASN A 9 -13.335 2.555 3.237 1.00 0.00 C ATOM 100 C ASN A 9 -14.248 3.089 2.136 1.00 0.00 C ATOM 101 O ASN A 9 -15.411 2.699 2.040 1.00 0.00 O ATOM 102 CB ASN A 9 -12.606 1.292 2.760 1.00 0.00 C ATOM 103 CG ASN A 9 -11.479 1.580 1.784 1.00 0.00 C ATOM 104 OD1 ASN A 9 -11.503 2.554 1.039 1.00 0.00 O ATOM 105 ND2 ASN A 9 -10.477 0.727 1.784 1.00 0.00 N ATOM 0 H ASN A 9 -14.732 1.452 4.345 1.00 0.00 H new ATOM 0 HA ASN A 9 -12.597 3.321 3.474 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -12.202 0.766 3.625 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -13.325 0.623 2.287 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -9.689 0.866 1.151 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -10.488 -0.073 2.417 1.00 0.00 H new ATOM 112 N LEU A 10 -13.718 3.994 1.323 1.00 0.00 N ATOM 113 CA LEU A 10 -14.464 4.577 0.213 1.00 0.00 C ATOM 114 C LEU A 10 -14.319 3.726 -1.043 1.00 0.00 C ATOM 115 O LEU A 10 -15.110 3.841 -1.980 1.00 0.00 O ATOM 116 CB LEU A 10 -13.946 5.980 -0.082 1.00 0.00 C ATOM 117 CG LEU A 10 -14.010 6.964 1.090 1.00 0.00 C ATOM 118 CD1 LEU A 10 -13.472 8.323 0.672 1.00 0.00 C ATOM 119 CD2 LEU A 10 -15.434 7.090 1.616 1.00 0.00 C ATOM 0 H LEU A 10 -12.764 4.344 1.413 1.00 0.00 H new ATOM 0 HA LEU A 10 -15.515 4.619 0.498 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -12.911 5.904 -0.415 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -14.518 6.393 -0.913 1.00 0.00 H new ATOM 0 HG LEU A 10 -13.385 6.577 1.895 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -13.525 9.010 1.516 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -12.435 8.221 0.351 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -14.070 8.713 -0.152 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -15.454 7.794 2.448 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -16.085 7.451 0.820 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -15.783 6.116 1.957 1.00 0.00 H new ATOM 131 N TYR A 11 -13.289 2.887 -1.060 1.00 0.00 N ATOM 132 CA TYR A 11 -12.984 2.062 -2.215 1.00 0.00 C ATOM 133 C TYR A 11 -13.995 0.932 -2.392 1.00 0.00 C ATOM 134 O TYR A 11 -14.942 0.796 -1.619 1.00 0.00 O ATOM 135 CB TYR A 11 -11.580 1.485 -2.084 1.00 0.00 C ATOM 136 CG TYR A 11 -10.485 2.408 -2.554 1.00 0.00 C ATOM 137 CD1 TYR A 11 -10.245 2.585 -3.908 1.00 0.00 C ATOM 138 CD2 TYR A 11 -9.681 3.083 -1.648 1.00 0.00 C ATOM 139 CE1 TYR A 11 -9.231 3.408 -4.350 1.00 0.00 C ATOM 140 CE2 TYR A 11 -8.668 3.914 -2.079 1.00 0.00 C ATOM 141 CZ TYR A 11 -8.445 4.072 -3.430 1.00 0.00 C ATOM 142 OH TYR A 11 -7.420 4.878 -3.858 1.00 0.00 O ATOM 0 H TYR A 11 -12.648 2.763 -0.277 1.00 0.00 H new ATOM 0 HA TYR A 11 -13.041 2.698 -3.099 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -11.401 1.229 -1.040 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -11.526 0.557 -2.653 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -10.863 2.070 -4.629 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -9.851 2.956 -0.589 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -9.053 3.532 -5.408 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -8.053 4.438 -1.362 1.00 0.00 H new ATOM 0 HH TYR A 11 -7.763 5.525 -4.510 1.00 0.00 H new ATOM 152 N THR A 12 -13.764 0.120 -3.413 1.00 0.00 N ATOM 153 CA THR A 12 -14.677 -0.951 -3.777 1.00 0.00 C ATOM 154 C THR A 12 -14.659 -2.091 -2.749 1.00 0.00 C ATOM 155 O THR A 12 -15.419 -2.070 -1.778 1.00 0.00 O ATOM 156 CB THR A 12 -14.329 -1.478 -5.186 1.00 0.00 C ATOM 157 OG1 THR A 12 -14.355 -0.388 -6.116 1.00 0.00 O ATOM 158 CG2 THR A 12 -15.291 -2.559 -5.650 1.00 0.00 C ATOM 0 H THR A 12 -12.940 0.185 -4.011 1.00 0.00 H new ATOM 0 HA THR A 12 -15.689 -0.545 -3.786 1.00 0.00 H new ATOM 0 HB THR A 12 -13.334 -1.921 -5.139 1.00 0.00 H new ATOM 0 HG1 THR A 12 -13.442 -0.185 -6.408 1.00 0.00 H new ATOM 0 HG21 THR A 12 -15.005 -2.898 -6.646 1.00 0.00 H new ATOM 0 HG22 THR A 12 -15.256 -3.399 -4.957 1.00 0.00 H new ATOM 0 HG23 THR A 12 -16.303 -2.156 -5.681 1.00 0.00 H new ATOM 166 N ALA A 13 -13.775 -3.065 -2.947 1.00 0.00 N ATOM 167 CA ALA A 13 -13.695 -4.225 -2.075 1.00 0.00 C ATOM 168 C ALA A 13 -12.555 -5.133 -2.502 1.00 0.00 C ATOM 169 O ALA A 13 -12.476 -5.531 -3.662 1.00 0.00 O ATOM 170 CB ALA A 13 -15.006 -5.005 -2.083 1.00 0.00 C ATOM 0 H ALA A 13 -13.100 -3.070 -3.712 1.00 0.00 H new ATOM 0 HA ALA A 13 -13.508 -3.869 -1.062 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -14.920 -5.868 -1.423 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -15.814 -4.362 -1.736 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -15.222 -5.344 -3.096 1.00 0.00 H new ATOM 176 N GLY A 14 -11.659 -5.426 -1.570 1.00 0.00 N ATOM 177 CA GLY A 14 -10.575 -6.352 -1.837 1.00 0.00 C ATOM 178 C GLY A 14 -9.589 -5.823 -2.857 1.00 0.00 C ATOM 179 O GLY A 14 -8.931 -6.596 -3.550 1.00 0.00 O ATOM 0 H GLY A 14 -11.663 -5.036 -0.627 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.049 -6.566 -0.907 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -10.989 -7.295 -2.194 1.00 0.00 H new ATOM 183 N GLN A 15 -9.484 -4.506 -2.954 1.00 0.00 N ATOM 184 CA GLN A 15 -8.548 -3.894 -3.885 1.00 0.00 C ATOM 185 C GLN A 15 -7.257 -3.532 -3.167 1.00 0.00 C ATOM 186 O GLN A 15 -7.247 -3.397 -1.954 1.00 0.00 O ATOM 187 CB GLN A 15 -9.155 -2.648 -4.541 1.00 0.00 C ATOM 188 CG GLN A 15 -10.476 -2.910 -5.245 1.00 0.00 C ATOM 189 CD GLN A 15 -10.749 -1.914 -6.350 1.00 0.00 C ATOM 190 OE1 GLN A 15 -11.316 -0.849 -6.120 1.00 0.00 O ATOM 191 NE2 GLN A 15 -10.363 -2.275 -7.565 1.00 0.00 N ATOM 0 H GLN A 15 -10.031 -3.844 -2.403 1.00 0.00 H new ATOM 0 HA GLN A 15 -8.330 -4.617 -4.671 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -9.305 -1.884 -3.779 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -8.443 -2.244 -5.261 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -10.469 -3.917 -5.661 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -11.286 -2.872 -4.517 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -9.895 -3.170 -7.707 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -10.534 -1.658 -8.359 1.00 0.00 H new ATOM 200 N CYS A 16 -6.176 -3.403 -3.924 1.00 0.00 N ATOM 201 CA CYS A 16 -4.870 -3.050 -3.372 1.00 0.00 C ATOM 202 C CYS A 16 -4.955 -1.789 -2.514 1.00 0.00 C ATOM 203 O CYS A 16 -4.610 -1.810 -1.334 1.00 0.00 O ATOM 204 CB CYS A 16 -3.868 -2.851 -4.512 1.00 0.00 C ATOM 205 SG CYS A 16 -3.773 -4.249 -5.655 1.00 0.00 S ATOM 0 H CYS A 16 -6.177 -3.539 -4.935 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.533 -3.865 -2.732 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -4.141 -1.955 -5.070 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.880 -2.673 -4.087 1.00 0.00 H new ATOM 0 HG CYS A 16 -2.962 -5.146 -5.177 1.00 0.00 H new ATOM 211 N THR A 17 -5.469 -0.711 -3.095 1.00 0.00 N ATOM 212 CA THR A 17 -5.555 0.562 -2.397 1.00 0.00 C ATOM 213 C THR A 17 -6.679 0.517 -1.361 1.00 0.00 C ATOM 214 O THR A 17 -6.696 1.287 -0.399 1.00 0.00 O ATOM 215 CB THR A 17 -5.781 1.716 -3.399 1.00 0.00 C ATOM 216 OG1 THR A 17 -6.905 1.410 -4.232 1.00 0.00 O ATOM 217 CG2 THR A 17 -4.556 1.924 -4.276 1.00 0.00 C ATOM 0 H THR A 17 -5.832 -0.695 -4.048 1.00 0.00 H new ATOM 0 HA THR A 17 -4.613 0.743 -1.880 1.00 0.00 H new ATOM 0 HB THR A 17 -5.966 2.629 -2.834 1.00 0.00 H new ATOM 0 HG1 THR A 17 -7.528 2.166 -4.231 1.00 0.00 H new ATOM 0 HG21 THR A 17 -4.742 2.742 -4.972 1.00 0.00 H new ATOM 0 HG22 THR A 17 -3.698 2.168 -3.650 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.350 1.011 -4.835 1.00 0.00 H new ATOM 225 N TRP A 18 -7.605 -0.418 -1.557 1.00 0.00 N ATOM 226 CA TRP A 18 -8.679 -0.649 -0.609 1.00 0.00 C ATOM 227 C TRP A 18 -8.124 -1.331 0.638 1.00 0.00 C ATOM 228 O TRP A 18 -8.324 -0.859 1.754 1.00 0.00 O ATOM 229 CB TRP A 18 -9.770 -1.514 -1.249 1.00 0.00 C ATOM 230 CG TRP A 18 -10.933 -1.816 -0.346 1.00 0.00 C ATOM 231 CD1 TRP A 18 -12.093 -1.108 -0.241 1.00 0.00 C ATOM 232 CD2 TRP A 18 -11.047 -2.908 0.577 1.00 0.00 C ATOM 233 NE1 TRP A 18 -12.921 -1.693 0.682 1.00 0.00 N ATOM 234 CE2 TRP A 18 -12.304 -2.796 1.199 1.00 0.00 C ATOM 235 CE3 TRP A 18 -10.213 -3.969 0.935 1.00 0.00 C ATOM 236 CZ2 TRP A 18 -12.745 -3.703 2.156 1.00 0.00 C ATOM 237 CZ3 TRP A 18 -10.651 -4.865 1.887 1.00 0.00 C ATOM 238 CH2 TRP A 18 -11.906 -4.729 2.488 1.00 0.00 C ATOM 0 H TRP A 18 -7.628 -1.030 -2.373 1.00 0.00 H new ATOM 0 HA TRP A 18 -9.119 0.307 -0.324 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -10.140 -1.009 -2.141 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -9.326 -2.454 -1.576 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -12.326 -0.216 -0.803 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -13.849 -1.358 0.941 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -9.243 -4.086 0.475 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -13.715 -3.600 2.620 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -10.013 -5.687 2.174 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -12.219 -5.449 3.230 1.00 0.00 H new ATOM 249 N TYR A 19 -7.410 -2.433 0.430 1.00 0.00 N ATOM 250 CA TYR A 19 -6.856 -3.212 1.530 1.00 0.00 C ATOM 251 C TYR A 19 -5.948 -2.343 2.391 1.00 0.00 C ATOM 252 O TYR A 19 -6.025 -2.377 3.616 1.00 0.00 O ATOM 253 CB TYR A 19 -6.086 -4.421 0.982 1.00 0.00 C ATOM 254 CG TYR A 19 -5.698 -5.435 2.037 1.00 0.00 C ATOM 255 CD1 TYR A 19 -6.623 -6.357 2.513 1.00 0.00 C ATOM 256 CD2 TYR A 19 -4.412 -5.470 2.561 1.00 0.00 C ATOM 257 CE1 TYR A 19 -6.277 -7.283 3.478 1.00 0.00 C ATOM 258 CE2 TYR A 19 -4.059 -6.393 3.526 1.00 0.00 C ATOM 259 CZ TYR A 19 -4.994 -7.296 3.982 1.00 0.00 C ATOM 260 OH TYR A 19 -4.646 -8.209 4.950 1.00 0.00 O ATOM 0 H TYR A 19 -7.201 -2.807 -0.496 1.00 0.00 H new ATOM 0 HA TYR A 19 -7.674 -3.573 2.153 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -6.696 -4.915 0.226 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -5.184 -4.068 0.483 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -7.630 -6.349 2.122 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -3.676 -4.763 2.208 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -7.008 -7.993 3.836 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -3.054 -6.407 3.921 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.705 -8.084 5.195 1.00 0.00 H new ATOM 270 N VAL A 20 -5.109 -1.548 1.740 1.00 0.00 N ATOM 271 CA VAL A 20 -4.204 -0.647 2.448 1.00 0.00 C ATOM 272 C VAL A 20 -4.974 0.331 3.337 1.00 0.00 C ATOM 273 O VAL A 20 -4.660 0.490 4.520 1.00 0.00 O ATOM 274 CB VAL A 20 -3.318 0.149 1.466 1.00 0.00 C ATOM 275 CG1 VAL A 20 -2.443 1.143 2.213 1.00 0.00 C ATOM 276 CG2 VAL A 20 -2.457 -0.792 0.637 1.00 0.00 C ATOM 0 H VAL A 20 -5.035 -1.507 0.724 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.567 -1.271 3.074 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.973 0.703 0.794 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.827 1.693 1.501 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -3.074 1.842 2.762 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.800 0.608 2.912 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.840 -0.211 -0.049 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.815 -1.375 1.298 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.098 -1.465 0.067 1.00 0.00 H new ATOM 286 N TYR A 21 -5.997 0.964 2.770 1.00 0.00 N ATOM 287 CA TYR A 21 -6.778 1.963 3.491 1.00 0.00 C ATOM 288 C TYR A 21 -7.525 1.329 4.662 1.00 0.00 C ATOM 289 O TYR A 21 -7.693 1.948 5.714 1.00 0.00 O ATOM 290 CB TYR A 21 -7.764 2.654 2.544 1.00 0.00 C ATOM 291 CG TYR A 21 -8.410 3.881 3.135 1.00 0.00 C ATOM 292 CD1 TYR A 21 -7.670 5.028 3.368 1.00 0.00 C ATOM 293 CD2 TYR A 21 -9.760 3.897 3.455 1.00 0.00 C ATOM 294 CE1 TYR A 21 -8.252 6.157 3.901 1.00 0.00 C ATOM 295 CE2 TYR A 21 -10.353 5.023 3.988 1.00 0.00 C ATOM 296 CZ TYR A 21 -9.595 6.151 4.213 1.00 0.00 C ATOM 297 OH TYR A 21 -10.183 7.280 4.734 1.00 0.00 O ATOM 0 H TYR A 21 -6.305 0.802 1.811 1.00 0.00 H new ATOM 0 HA TYR A 21 -6.091 2.710 3.889 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -7.241 2.934 1.630 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -8.542 1.944 2.262 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -6.617 5.038 3.127 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -10.357 3.013 3.284 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -7.659 7.043 4.074 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -11.406 5.020 4.228 1.00 0.00 H new ATOM 0 HH TYR A 21 -9.804 7.468 5.618 1.00 0.00 H new ATOM 307 N ASP A 22 -7.961 0.089 4.480 1.00 0.00 N ATOM 308 CA ASP A 22 -8.658 -0.635 5.536 1.00 0.00 C ATOM 309 C ASP A 22 -7.695 -0.999 6.660 1.00 0.00 C ATOM 310 O ASP A 22 -8.008 -0.829 7.838 1.00 0.00 O ATOM 311 CB ASP A 22 -9.318 -1.900 4.985 1.00 0.00 C ATOM 312 CG ASP A 22 -10.064 -2.671 6.056 1.00 0.00 C ATOM 313 OD1 ASP A 22 -9.446 -3.532 6.720 1.00 0.00 O ATOM 314 OD2 ASP A 22 -11.271 -2.423 6.243 1.00 0.00 O ATOM 0 H ASP A 22 -7.845 -0.436 3.613 1.00 0.00 H new ATOM 0 HA ASP A 22 -9.435 0.017 5.934 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -10.009 -1.629 4.187 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.556 -2.542 4.542 1.00 0.00 H new ATOM 319 N LYS A 23 -6.512 -1.477 6.283 1.00 0.00 N ATOM 320 CA LYS A 23 -5.503 -1.909 7.249 1.00 0.00 C ATOM 321 C LYS A 23 -5.034 -0.756 8.135 1.00 0.00 C ATOM 322 O LYS A 23 -4.760 -0.951 9.318 1.00 0.00 O ATOM 323 CB LYS A 23 -4.305 -2.530 6.529 1.00 0.00 C ATOM 324 CG LYS A 23 -4.628 -3.841 5.830 1.00 0.00 C ATOM 325 CD LYS A 23 -4.846 -4.978 6.816 1.00 0.00 C ATOM 326 CE LYS A 23 -3.530 -5.488 7.385 1.00 0.00 C ATOM 327 NZ LYS A 23 -3.729 -6.611 8.336 1.00 0.00 N ATOM 0 H LYS A 23 -6.226 -1.576 5.309 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.968 -2.658 7.890 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.925 -1.820 5.794 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.506 -2.700 7.251 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.522 -3.715 5.220 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.814 -4.100 5.153 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.487 -4.637 7.629 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.369 -5.795 6.320 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -2.885 -5.815 6.569 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.014 -4.672 7.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.997 -7.333 8.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -3.662 -6.256 9.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.668 -7.032 8.185 1.00 0.00 H new ATOM 341 N VAL A 24 -4.942 0.441 7.569 1.00 0.00 N ATOM 342 CA VAL A 24 -4.512 1.604 8.339 1.00 0.00 C ATOM 343 C VAL A 24 -5.673 2.199 9.135 1.00 0.00 C ATOM 344 O VAL A 24 -5.491 3.140 9.910 1.00 0.00 O ATOM 345 CB VAL A 24 -3.883 2.697 7.445 1.00 0.00 C ATOM 346 CG1 VAL A 24 -2.656 2.164 6.726 1.00 0.00 C ATOM 347 CG2 VAL A 24 -4.892 3.238 6.447 1.00 0.00 C ATOM 0 H VAL A 24 -5.156 0.632 6.590 1.00 0.00 H new ATOM 0 HA VAL A 24 -3.747 1.250 9.030 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.575 3.519 8.091 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.230 2.950 6.103 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.917 1.841 7.459 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -2.940 1.318 6.100 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.421 4.005 5.832 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -5.243 2.427 5.809 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -5.737 3.671 6.982 1.00 0.00 H new ATOM 357 N GLY A 25 -6.865 1.647 8.934 1.00 0.00 N ATOM 358 CA GLY A 25 -8.028 2.076 9.690 1.00 0.00 C ATOM 359 C GLY A 25 -8.617 3.377 9.179 1.00 0.00 C ATOM 360 O GLY A 25 -9.265 4.108 9.927 1.00 0.00 O ATOM 0 H GLY A 25 -7.047 0.906 8.257 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -8.790 1.297 9.649 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.751 2.195 10.737 1.00 0.00 H new ATOM 364 N GLY A 26 -8.381 3.673 7.905 1.00 0.00 N ATOM 365 CA GLY A 26 -8.889 4.902 7.319 1.00 0.00 C ATOM 366 C GLY A 26 -8.173 6.135 7.836 1.00 0.00 C ATOM 367 O GLY A 26 -8.566 7.262 7.541 1.00 0.00 O ATOM 0 H GLY A 26 -7.847 3.084 7.267 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -8.784 4.854 6.235 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -9.954 4.989 7.533 1.00 0.00 H new ATOM 371 N GLU A 27 -7.123 5.914 8.613 1.00 0.00 N ATOM 372 CA GLU A 27 -6.352 6.997 9.204 1.00 0.00 C ATOM 373 C GLU A 27 -5.579 7.758 8.133 1.00 0.00 C ATOM 374 O GLU A 27 -5.337 8.958 8.250 1.00 0.00 O ATOM 375 CB GLU A 27 -5.400 6.415 10.252 1.00 0.00 C ATOM 376 CG GLU A 27 -4.523 7.439 10.948 1.00 0.00 C ATOM 377 CD GLU A 27 -3.854 6.863 12.174 1.00 0.00 C ATOM 378 OE1 GLU A 27 -2.868 6.114 12.027 1.00 0.00 O ATOM 379 OE2 GLU A 27 -4.339 7.129 13.292 1.00 0.00 O ATOM 0 H GLU A 27 -6.783 4.982 8.851 1.00 0.00 H new ATOM 0 HA GLU A 27 -7.029 7.704 9.683 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.987 5.888 11.004 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.760 5.675 9.771 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.763 7.799 10.254 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.127 8.300 11.234 1.00 0.00 H new ATOM 386 N ILE A 28 -5.214 7.047 7.082 1.00 0.00 N ATOM 387 CA ILE A 28 -4.455 7.619 5.986 1.00 0.00 C ATOM 388 C ILE A 28 -4.967 7.083 4.658 1.00 0.00 C ATOM 389 O ILE A 28 -5.148 5.875 4.507 1.00 0.00 O ATOM 390 CB ILE A 28 -2.925 7.337 6.139 1.00 0.00 C ATOM 391 CG1 ILE A 28 -2.269 6.953 4.797 1.00 0.00 C ATOM 392 CG2 ILE A 28 -2.675 6.255 7.182 1.00 0.00 C ATOM 393 CD1 ILE A 28 -2.216 5.455 4.525 1.00 0.00 C ATOM 0 H ILE A 28 -5.435 6.058 6.964 1.00 0.00 H new ATOM 0 HA ILE A 28 -4.594 8.700 6.009 1.00 0.00 H new ATOM 0 HB ILE A 28 -2.462 8.264 6.476 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.816 7.437 3.988 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.254 7.349 4.777 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.603 6.076 7.271 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.070 6.580 8.145 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.173 5.334 6.878 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.739 5.277 3.561 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -1.642 4.963 5.310 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.229 5.052 4.509 1.00 0.00 H new ATOM 405 N GLY A 29 -5.248 7.978 3.719 1.00 0.00 N ATOM 406 CA GLY A 29 -5.528 7.544 2.370 1.00 0.00 C ATOM 407 C GLY A 29 -6.708 8.240 1.722 1.00 0.00 C ATOM 408 O GLY A 29 -7.059 9.356 2.099 1.00 0.00 O ATOM 0 H GLY A 29 -5.286 8.986 3.868 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -4.642 7.709 1.757 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.714 6.470 2.378 1.00 0.00 H new ATOM 412 N SER A 30 -7.305 7.557 0.733 1.00 0.00 N ATOM 413 CA SER A 30 -8.437 8.069 -0.049 1.00 0.00 C ATOM 414 C SER A 30 -8.021 9.219 -0.969 1.00 0.00 C ATOM 415 O SER A 30 -8.166 9.129 -2.190 1.00 0.00 O ATOM 416 CB SER A 30 -9.601 8.487 0.858 1.00 0.00 C ATOM 417 OG SER A 30 -10.122 7.372 1.561 1.00 0.00 O ATOM 0 H SER A 30 -7.010 6.622 0.452 1.00 0.00 H new ATOM 0 HA SER A 30 -8.781 7.251 -0.682 1.00 0.00 H new ATOM 0 HB2 SER A 30 -9.261 9.242 1.567 1.00 0.00 H new ATOM 0 HB3 SER A 30 -10.388 8.944 0.258 1.00 0.00 H new ATOM 0 HG SER A 30 -9.537 7.160 2.318 1.00 0.00 H new ATOM 423 N THR A 31 -7.474 10.279 -0.391 1.00 0.00 N ATOM 424 CA THR A 31 -7.075 11.451 -1.156 1.00 0.00 C ATOM 425 C THR A 31 -5.750 11.220 -1.882 1.00 0.00 C ATOM 426 O THR A 31 -5.276 12.085 -2.619 1.00 0.00 O ATOM 427 CB THR A 31 -6.955 12.683 -0.243 1.00 0.00 C ATOM 428 OG1 THR A 31 -6.192 12.349 0.926 1.00 0.00 O ATOM 429 CG2 THR A 31 -8.331 13.190 0.164 1.00 0.00 C ATOM 0 H THR A 31 -7.296 10.351 0.611 1.00 0.00 H new ATOM 0 HA THR A 31 -7.850 11.631 -1.901 1.00 0.00 H new ATOM 0 HB THR A 31 -6.446 13.474 -0.794 1.00 0.00 H new ATOM 0 HG1 THR A 31 -6.117 13.137 1.504 1.00 0.00 H new ATOM 0 HG21 THR A 31 -8.221 14.062 0.809 1.00 0.00 H new ATOM 0 HG22 THR A 31 -8.895 13.467 -0.727 1.00 0.00 H new ATOM 0 HG23 THR A 31 -8.864 12.405 0.701 1.00 0.00 H new ATOM 437 N TRP A 32 -5.167 10.039 -1.685 1.00 0.00 N ATOM 438 CA TRP A 32 -3.908 9.687 -2.334 1.00 0.00 C ATOM 439 C TRP A 32 -4.122 9.352 -3.814 1.00 0.00 C ATOM 440 O TRP A 32 -3.163 9.143 -4.560 1.00 0.00 O ATOM 441 CB TRP A 32 -3.229 8.514 -1.612 1.00 0.00 C ATOM 442 CG TRP A 32 -4.056 7.267 -1.565 1.00 0.00 C ATOM 443 CD1 TRP A 32 -4.943 6.848 -2.503 1.00 0.00 C ATOM 444 CD2 TRP A 32 -4.060 6.269 -0.539 1.00 0.00 C ATOM 445 NE1 TRP A 32 -5.512 5.675 -2.131 1.00 0.00 N ATOM 446 CE2 TRP A 32 -4.990 5.286 -0.926 1.00 0.00 C ATOM 447 CE3 TRP A 32 -3.373 6.110 0.666 1.00 0.00 C ATOM 448 CZ2 TRP A 32 -5.251 4.160 -0.153 1.00 0.00 C ATOM 449 CZ3 TRP A 32 -3.636 4.989 1.436 1.00 0.00 C ATOM 450 CH2 TRP A 32 -4.566 4.029 1.024 1.00 0.00 C ATOM 0 H TRP A 32 -5.547 9.310 -1.081 1.00 0.00 H new ATOM 0 HA TRP A 32 -3.252 10.555 -2.274 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -2.284 8.293 -2.109 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -2.990 8.818 -0.593 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -5.165 7.376 -3.419 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -6.216 5.164 -2.663 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -2.652 6.845 0.991 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -5.968 3.417 -0.470 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -3.113 4.854 2.371 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -4.747 3.166 1.648 1.00 0.00 H new ATOM 461 N GLY A 33 -5.381 9.290 -4.235 1.00 0.00 N ATOM 462 CA GLY A 33 -5.673 8.973 -5.614 1.00 0.00 C ATOM 463 C GLY A 33 -5.808 7.490 -5.840 1.00 0.00 C ATOM 464 O GLY A 33 -6.806 6.879 -5.465 1.00 0.00 O ATOM 0 H GLY A 33 -6.198 9.453 -3.647 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.596 9.470 -5.912 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -4.880 9.365 -6.251 1.00 0.00 H new ATOM 468 N ASN A 34 -4.793 6.928 -6.466 1.00 0.00 N ATOM 469 CA ASN A 34 -4.669 5.496 -6.644 1.00 0.00 C ATOM 470 C ASN A 34 -3.205 5.128 -6.519 1.00 0.00 C ATOM 471 O ASN A 34 -2.391 5.982 -6.179 1.00 0.00 O ATOM 472 CB ASN A 34 -5.227 5.040 -7.995 1.00 0.00 C ATOM 473 CG ASN A 34 -6.634 4.481 -7.878 1.00 0.00 C ATOM 474 OD1 ASN A 34 -6.821 3.279 -7.691 1.00 0.00 O ATOM 475 ND2 ASN A 34 -7.633 5.340 -7.991 1.00 0.00 N ATOM 0 H ASN A 34 -4.022 7.460 -6.870 1.00 0.00 H new ATOM 0 HA ASN A 34 -5.254 4.988 -5.877 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -5.229 5.882 -8.688 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -4.571 4.280 -8.419 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -8.597 5.013 -7.923 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -7.440 6.330 -8.146 1.00 0.00 H new ATOM 482 N ALA A 35 -2.876 3.884 -6.823 1.00 0.00 N ATOM 483 CA ALA A 35 -1.545 3.347 -6.563 1.00 0.00 C ATOM 484 C ALA A 35 -0.419 4.240 -7.104 1.00 0.00 C ATOM 485 O ALA A 35 0.427 4.694 -6.344 1.00 0.00 O ATOM 486 CB ALA A 35 -1.441 1.942 -7.134 1.00 0.00 C ATOM 0 H ALA A 35 -3.518 3.219 -7.255 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.413 3.317 -5.481 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.446 1.543 -6.939 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -2.188 1.302 -6.664 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.615 1.973 -8.210 1.00 0.00 H new ATOM 492 N ASN A 36 -0.421 4.510 -8.402 1.00 0.00 N ATOM 493 CA ASN A 36 0.680 5.244 -9.041 1.00 0.00 C ATOM 494 C ASN A 36 0.591 6.745 -8.761 1.00 0.00 C ATOM 495 O ASN A 36 1.486 7.514 -9.112 1.00 0.00 O ATOM 496 CB ASN A 36 0.652 4.995 -10.548 1.00 0.00 C ATOM 497 CG ASN A 36 1.942 5.363 -11.248 1.00 0.00 C ATOM 498 OD1 ASN A 36 3.028 5.266 -10.680 1.00 0.00 O ATOM 499 ND2 ASN A 36 1.826 5.771 -12.502 1.00 0.00 N ATOM 0 H ASN A 36 -1.169 4.235 -9.039 1.00 0.00 H new ATOM 0 HA ASN A 36 1.619 4.882 -8.622 1.00 0.00 H new ATOM 0 HB2 ASN A 36 0.438 3.942 -10.730 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -0.166 5.567 -10.987 1.00 0.00 H new ATOM 0 HD21 ASN A 36 2.658 6.020 -13.036 1.00 0.00 H new ATOM 0 HD22 ASN A 36 0.904 5.837 -12.934 1.00 0.00 H new ATOM 506 N ASN A 37 -0.489 7.160 -8.124 1.00 0.00 N ATOM 507 CA ASN A 37 -0.699 8.569 -7.821 1.00 0.00 C ATOM 508 C ASN A 37 -0.311 8.849 -6.375 1.00 0.00 C ATOM 509 O ASN A 37 -0.319 9.993 -5.919 1.00 0.00 O ATOM 510 CB ASN A 37 -2.165 8.945 -8.069 1.00 0.00 C ATOM 511 CG ASN A 37 -2.402 10.445 -8.103 1.00 0.00 C ATOM 512 OD1 ASN A 37 -2.270 11.077 -9.150 1.00 0.00 O ATOM 513 ND2 ASN A 37 -2.770 11.022 -6.970 1.00 0.00 N ATOM 0 H ASN A 37 -1.236 6.543 -7.805 1.00 0.00 H new ATOM 0 HA ASN A 37 -0.072 9.176 -8.474 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -2.489 8.511 -9.015 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -2.783 8.504 -7.287 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -2.955 12.025 -6.945 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -2.869 10.464 -6.122 1.00 0.00 H new ATOM 520 N TRP A 38 0.059 7.783 -5.675 1.00 0.00 N ATOM 521 CA TRP A 38 0.338 7.831 -4.245 1.00 0.00 C ATOM 522 C TRP A 38 1.329 8.911 -3.858 1.00 0.00 C ATOM 523 O TRP A 38 0.958 9.883 -3.213 1.00 0.00 O ATOM 524 CB TRP A 38 0.865 6.490 -3.769 1.00 0.00 C ATOM 525 CG TRP A 38 -0.153 5.701 -3.036 1.00 0.00 C ATOM 526 CD1 TRP A 38 -1.457 5.503 -3.377 1.00 0.00 C ATOM 527 CD2 TRP A 38 0.063 5.001 -1.822 1.00 0.00 C ATOM 528 NE1 TRP A 38 -2.072 4.736 -2.435 1.00 0.00 N ATOM 529 CE2 TRP A 38 -1.155 4.412 -1.458 1.00 0.00 C ATOM 530 CE3 TRP A 38 1.178 4.822 -1.004 1.00 0.00 C ATOM 531 CZ2 TRP A 38 -1.285 3.653 -0.297 1.00 0.00 C ATOM 532 CZ3 TRP A 38 1.049 4.072 0.135 1.00 0.00 C ATOM 533 CH2 TRP A 38 -0.176 3.499 0.483 1.00 0.00 C ATOM 0 H TRP A 38 0.174 6.856 -6.086 1.00 0.00 H new ATOM 0 HA TRP A 38 -0.610 8.070 -3.763 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.214 5.916 -4.628 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.727 6.652 -3.122 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -1.933 5.896 -4.263 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -3.050 4.448 -2.450 1.00 0.00 H new ATOM 0 HE3 TRP A 38 2.127 5.267 -1.264 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -2.228 3.203 -0.024 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 1.907 3.922 0.773 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -0.247 2.920 1.392 1.00 0.00 H new ATOM 544 N ALA A 39 2.585 8.737 -4.255 1.00 0.00 N ATOM 545 CA ALA A 39 3.667 9.612 -3.806 1.00 0.00 C ATOM 546 C ALA A 39 3.353 11.090 -4.046 1.00 0.00 C ATOM 547 O ALA A 39 3.831 11.959 -3.323 1.00 0.00 O ATOM 548 CB ALA A 39 4.970 9.223 -4.489 1.00 0.00 C ATOM 0 H ALA A 39 2.882 7.995 -4.889 1.00 0.00 H new ATOM 0 HA ALA A 39 3.772 9.480 -2.729 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.770 9.880 -4.148 1.00 0.00 H new ATOM 0 HB2 ALA A 39 5.217 8.191 -4.240 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.857 9.318 -5.569 1.00 0.00 H new ATOM 554 N ALA A 40 2.544 11.368 -5.058 1.00 0.00 N ATOM 555 CA ALA A 40 2.142 12.734 -5.357 1.00 0.00 C ATOM 556 C ALA A 40 1.057 13.215 -4.387 1.00 0.00 C ATOM 557 O ALA A 40 1.238 14.210 -3.682 1.00 0.00 O ATOM 558 CB ALA A 40 1.656 12.826 -6.797 1.00 0.00 C ATOM 0 H ALA A 40 2.153 10.665 -5.686 1.00 0.00 H new ATOM 0 HA ALA A 40 3.007 13.385 -5.233 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.356 13.851 -7.015 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.460 12.532 -7.472 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.803 12.161 -6.936 1.00 0.00 H new ATOM 564 N ALA A 41 -0.056 12.484 -4.335 1.00 0.00 N ATOM 565 CA ALA A 41 -1.212 12.883 -3.532 1.00 0.00 C ATOM 566 C ALA A 41 -0.936 12.751 -2.041 1.00 0.00 C ATOM 567 O ALA A 41 -1.353 13.590 -1.247 1.00 0.00 O ATOM 568 CB ALA A 41 -2.423 12.054 -3.913 1.00 0.00 C ATOM 0 H ALA A 41 -0.182 11.608 -4.842 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.412 13.934 -3.740 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.278 12.359 -3.309 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.651 12.206 -4.968 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.212 10.999 -3.736 1.00 0.00 H new ATOM 574 N ALA A 42 -0.236 11.692 -1.674 1.00 0.00 N ATOM 575 CA ALA A 42 0.134 11.441 -0.290 1.00 0.00 C ATOM 576 C ALA A 42 0.876 12.634 0.298 1.00 0.00 C ATOM 577 O ALA A 42 0.533 13.127 1.374 1.00 0.00 O ATOM 578 CB ALA A 42 1.012 10.215 -0.227 1.00 0.00 C ATOM 0 H ALA A 42 0.093 10.981 -2.327 1.00 0.00 H new ATOM 0 HA ALA A 42 -0.773 11.281 0.293 1.00 0.00 H new ATOM 0 HB1 ALA A 42 1.293 10.021 0.808 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.468 9.357 -0.622 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.910 10.380 -0.822 1.00 0.00 H new ATOM 584 N GLN A 43 1.894 13.097 -0.418 1.00 0.00 N ATOM 585 CA GLN A 43 2.665 14.254 0.008 1.00 0.00 C ATOM 586 C GLN A 43 1.791 15.501 0.061 1.00 0.00 C ATOM 587 O GLN A 43 1.981 16.362 0.921 1.00 0.00 O ATOM 588 CB GLN A 43 3.842 14.486 -0.934 1.00 0.00 C ATOM 589 CG GLN A 43 4.989 13.514 -0.752 1.00 0.00 C ATOM 590 CD GLN A 43 6.125 13.810 -1.709 1.00 0.00 C ATOM 591 OE1 GLN A 43 5.902 14.297 -2.818 1.00 0.00 O ATOM 592 NE2 GLN A 43 7.344 13.544 -1.287 1.00 0.00 N ATOM 0 H GLN A 43 2.204 12.686 -1.299 1.00 0.00 H new ATOM 0 HA GLN A 43 3.045 14.054 1.010 1.00 0.00 H new ATOM 0 HB2 GLN A 43 3.487 14.422 -1.963 1.00 0.00 H new ATOM 0 HB3 GLN A 43 4.214 15.500 -0.788 1.00 0.00 H new ATOM 0 HG2 GLN A 43 5.353 13.567 0.274 1.00 0.00 H new ATOM 0 HG3 GLN A 43 4.633 12.496 -0.912 1.00 0.00 H new ATOM 0 HE21 GLN A 43 7.486 13.141 -0.361 1.00 0.00 H new ATOM 0 HE22 GLN A 43 8.146 13.742 -1.886 1.00 0.00 H new ATOM 601 N GLY A 44 0.837 15.589 -0.862 1.00 0.00 N ATOM 602 CA GLY A 44 -0.091 16.707 -0.880 1.00 0.00 C ATOM 603 C GLY A 44 -1.022 16.692 0.317 1.00 0.00 C ATOM 604 O GLY A 44 -1.378 17.742 0.851 1.00 0.00 O ATOM 0 H GLY A 44 0.690 14.902 -1.602 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.468 17.642 -0.892 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.679 16.675 -1.797 1.00 0.00 H new ATOM 608 N ALA A 45 -1.417 15.496 0.737 1.00 0.00 N ATOM 609 CA ALA A 45 -2.236 15.330 1.931 1.00 0.00 C ATOM 610 C ALA A 45 -1.427 15.663 3.179 1.00 0.00 C ATOM 611 O ALA A 45 -1.978 16.082 4.197 1.00 0.00 O ATOM 612 CB ALA A 45 -2.781 13.912 2.014 1.00 0.00 C ATOM 0 H ALA A 45 -1.182 14.623 0.265 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.079 16.018 1.869 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.390 13.808 2.912 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.392 13.705 1.135 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.952 13.205 2.054 1.00 0.00 H new ATOM 618 N GLY A 46 -0.117 15.478 3.092 1.00 0.00 N ATOM 619 CA GLY A 46 0.754 15.847 4.188 1.00 0.00 C ATOM 620 C GLY A 46 1.630 14.710 4.669 1.00 0.00 C ATOM 621 O GLY A 46 2.279 14.823 5.707 1.00 0.00 O ATOM 0 H GLY A 46 0.357 15.079 2.282 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.388 16.677 3.875 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.147 16.205 5.020 1.00 0.00 H new ATOM 625 N PHE A 47 1.665 13.614 3.921 1.00 0.00 N ATOM 626 CA PHE A 47 2.481 12.467 4.313 1.00 0.00 C ATOM 627 C PHE A 47 3.936 12.707 3.921 1.00 0.00 C ATOM 628 O PHE A 47 4.229 13.572 3.092 1.00 0.00 O ATOM 629 CB PHE A 47 1.987 11.169 3.656 1.00 0.00 C ATOM 630 CG PHE A 47 0.510 10.890 3.790 1.00 0.00 C ATOM 631 CD1 PHE A 47 -0.278 11.541 4.728 1.00 0.00 C ATOM 632 CD2 PHE A 47 -0.094 9.972 2.946 1.00 0.00 C ATOM 633 CE1 PHE A 47 -1.634 11.283 4.811 1.00 0.00 C ATOM 634 CE2 PHE A 47 -1.443 9.705 3.027 1.00 0.00 C ATOM 635 CZ PHE A 47 -2.216 10.363 3.958 1.00 0.00 C ATOM 0 H PHE A 47 1.146 13.493 3.051 1.00 0.00 H new ATOM 0 HA PHE A 47 2.398 12.356 5.394 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.237 11.202 2.596 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.537 10.333 4.088 1.00 0.00 H new ATOM 0 HD1 PHE A 47 0.172 12.257 5.400 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.505 9.456 2.210 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -2.238 11.800 5.542 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.893 8.982 2.363 1.00 0.00 H new ATOM 0 HZ PHE A 47 -3.275 10.161 4.022 1.00 0.00 H new ATOM 645 N THR A 48 4.838 11.947 4.518 1.00 0.00 N ATOM 646 CA THR A 48 6.254 12.041 4.192 1.00 0.00 C ATOM 647 C THR A 48 6.730 10.741 3.550 1.00 0.00 C ATOM 648 O THR A 48 6.462 9.661 4.071 1.00 0.00 O ATOM 649 CB THR A 48 7.092 12.316 5.456 1.00 0.00 C ATOM 650 OG1 THR A 48 6.481 13.358 6.231 1.00 0.00 O ATOM 651 CG2 THR A 48 8.511 12.720 5.091 1.00 0.00 C ATOM 0 H THR A 48 4.616 11.255 5.234 1.00 0.00 H new ATOM 0 HA THR A 48 6.385 12.868 3.494 1.00 0.00 H new ATOM 0 HB THR A 48 7.132 11.398 6.043 1.00 0.00 H new ATOM 0 HG1 THR A 48 7.018 13.526 7.033 1.00 0.00 H new ATOM 0 HG21 THR A 48 9.081 12.908 6.001 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.984 11.917 4.526 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.487 13.625 4.484 1.00 0.00 H new ATOM 659 N VAL A 49 7.417 10.825 2.424 1.00 0.00 N ATOM 660 CA VAL A 49 7.900 9.623 1.769 1.00 0.00 C ATOM 661 C VAL A 49 9.425 9.512 1.886 1.00 0.00 C ATOM 662 O VAL A 49 10.160 10.446 1.571 1.00 0.00 O ATOM 663 CB VAL A 49 7.450 9.538 0.285 1.00 0.00 C ATOM 664 CG1 VAL A 49 5.956 9.806 0.152 1.00 0.00 C ATOM 665 CG2 VAL A 49 8.233 10.486 -0.601 1.00 0.00 C ATOM 0 H VAL A 49 7.650 11.698 1.951 1.00 0.00 H new ATOM 0 HA VAL A 49 7.450 8.776 2.286 1.00 0.00 H new ATOM 0 HB VAL A 49 7.657 8.522 -0.052 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.667 9.741 -0.897 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.401 9.066 0.729 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.730 10.803 0.529 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.885 10.393 -1.630 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.084 11.510 -0.259 1.00 0.00 H new ATOM 0 HG23 VAL A 49 9.293 10.237 -0.552 1.00 0.00 H new ATOM 675 N ASN A 50 9.891 8.373 2.387 1.00 0.00 N ATOM 676 CA ASN A 50 11.329 8.121 2.533 1.00 0.00 C ATOM 677 C ASN A 50 11.720 6.926 1.674 1.00 0.00 C ATOM 678 O ASN A 50 12.889 6.565 1.577 1.00 0.00 O ATOM 679 CB ASN A 50 11.689 7.808 3.993 1.00 0.00 C ATOM 680 CG ASN A 50 11.151 8.811 4.994 1.00 0.00 C ATOM 681 OD1 ASN A 50 11.106 10.017 4.739 1.00 0.00 O ATOM 682 ND2 ASN A 50 10.722 8.309 6.142 1.00 0.00 N ATOM 0 H ASN A 50 9.297 7.606 2.701 1.00 0.00 H new ATOM 0 HA ASN A 50 11.865 9.016 2.218 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.307 6.819 4.246 1.00 0.00 H new ATOM 0 HB3 ASN A 50 12.774 7.764 4.087 1.00 0.00 H new ATOM 0 HD21 ASN A 50 10.336 8.927 6.856 1.00 0.00 H new ATOM 0 HD22 ASN A 50 10.778 7.305 6.312 1.00 0.00 H new ATOM 689 N HIS A 51 10.700 6.335 1.053 1.00 0.00 N ATOM 690 CA HIS A 51 10.805 5.069 0.316 1.00 0.00 C ATOM 691 C HIS A 51 11.672 4.030 1.037 1.00 0.00 C ATOM 692 O HIS A 51 12.793 3.732 0.631 1.00 0.00 O ATOM 693 CB HIS A 51 11.250 5.273 -1.156 1.00 0.00 C ATOM 694 CG HIS A 51 12.571 5.963 -1.379 1.00 0.00 C ATOM 695 ND1 HIS A 51 12.682 7.313 -1.622 1.00 0.00 N ATOM 696 CD2 HIS A 51 13.831 5.474 -1.441 1.00 0.00 C ATOM 697 CE1 HIS A 51 13.948 7.622 -1.822 1.00 0.00 C ATOM 698 NE2 HIS A 51 14.669 6.523 -1.719 1.00 0.00 N ATOM 0 H HIS A 51 9.758 6.727 1.046 1.00 0.00 H new ATOM 0 HA HIS A 51 9.795 4.660 0.286 1.00 0.00 H new ATOM 0 HB2 HIS A 51 11.292 4.295 -1.636 1.00 0.00 H new ATOM 0 HB3 HIS A 51 10.477 5.846 -1.668 1.00 0.00 H new ATOM 0 HD2 HIS A 51 14.124 4.444 -1.298 1.00 0.00 H new ATOM 0 HE1 HIS A 51 14.330 8.609 -2.035 1.00 0.00 H new ATOM 0 HE2 HIS A 51 15.681 6.463 -1.828 1.00 0.00 H new ATOM 707 N THR A 52 11.131 3.494 2.124 1.00 0.00 N ATOM 708 CA THR A 52 11.791 2.449 2.901 1.00 0.00 C ATOM 709 C THR A 52 10.754 1.712 3.756 1.00 0.00 C ATOM 710 O THR A 52 10.514 2.099 4.895 1.00 0.00 O ATOM 711 CB THR A 52 12.891 3.035 3.824 1.00 0.00 C ATOM 712 OG1 THR A 52 13.816 3.820 3.060 1.00 0.00 O ATOM 713 CG2 THR A 52 13.649 1.930 4.548 1.00 0.00 C ATOM 0 H THR A 52 10.221 3.771 2.493 1.00 0.00 H new ATOM 0 HA THR A 52 12.263 1.759 2.202 1.00 0.00 H new ATOM 0 HB THR A 52 12.399 3.666 4.565 1.00 0.00 H new ATOM 0 HG1 THR A 52 13.769 3.555 2.118 1.00 0.00 H new ATOM 0 HG21 THR A 52 14.413 2.372 5.187 1.00 0.00 H new ATOM 0 HG22 THR A 52 12.955 1.352 5.158 1.00 0.00 H new ATOM 0 HG23 THR A 52 14.122 1.274 3.817 1.00 0.00 H new ATOM 721 N PRO A 53 10.111 0.658 3.208 1.00 0.00 N ATOM 722 CA PRO A 53 9.016 -0.065 3.878 1.00 0.00 C ATOM 723 C PRO A 53 9.337 -0.466 5.317 1.00 0.00 C ATOM 724 O PRO A 53 10.484 -0.765 5.661 1.00 0.00 O ATOM 725 CB PRO A 53 8.815 -1.318 3.014 1.00 0.00 C ATOM 726 CG PRO A 53 9.989 -1.358 2.095 1.00 0.00 C ATOM 727 CD PRO A 53 10.397 0.068 1.897 1.00 0.00 C ATOM 0 HA PRO A 53 8.132 0.567 3.959 1.00 0.00 H new ATOM 0 HB2 PRO A 53 8.767 -2.216 3.630 1.00 0.00 H new ATOM 0 HB3 PRO A 53 7.881 -1.264 2.455 1.00 0.00 H new ATOM 0 HG2 PRO A 53 10.803 -1.942 2.525 1.00 0.00 H new ATOM 0 HG3 PRO A 53 9.728 -1.826 1.146 1.00 0.00 H new ATOM 0 HD2 PRO A 53 11.451 0.157 1.632 1.00 0.00 H new ATOM 0 HD3 PRO A 53 9.827 0.548 1.102 1.00 0.00 H new ATOM 735 N SER A 54 8.306 -0.485 6.143 1.00 0.00 N ATOM 736 CA SER A 54 8.448 -0.778 7.553 1.00 0.00 C ATOM 737 C SER A 54 7.170 -1.408 8.073 1.00 0.00 C ATOM 738 O SER A 54 6.150 -1.407 7.381 1.00 0.00 O ATOM 739 CB SER A 54 8.767 0.504 8.326 1.00 0.00 C ATOM 740 OG SER A 54 7.883 1.555 7.965 1.00 0.00 O ATOM 0 H SER A 54 7.347 -0.297 5.852 1.00 0.00 H new ATOM 0 HA SER A 54 9.270 -1.479 7.695 1.00 0.00 H new ATOM 0 HB2 SER A 54 8.692 0.314 9.397 1.00 0.00 H new ATOM 0 HB3 SER A 54 9.795 0.806 8.127 1.00 0.00 H new ATOM 0 HG SER A 54 8.108 2.361 8.475 1.00 0.00 H new ATOM 746 N LYS A 55 7.225 -1.950 9.277 1.00 0.00 N ATOM 747 CA LYS A 55 6.061 -2.583 9.873 1.00 0.00 C ATOM 748 C LYS A 55 4.966 -1.549 10.133 1.00 0.00 C ATOM 749 O LYS A 55 5.127 -0.662 10.971 1.00 0.00 O ATOM 750 CB LYS A 55 6.451 -3.284 11.180 1.00 0.00 C ATOM 751 CG LYS A 55 5.271 -3.898 11.915 1.00 0.00 C ATOM 752 CD LYS A 55 5.702 -4.612 13.184 1.00 0.00 C ATOM 753 CE LYS A 55 4.514 -5.259 13.879 1.00 0.00 C ATOM 754 NZ LYS A 55 3.473 -4.260 14.243 1.00 0.00 N ATOM 0 H LYS A 55 8.061 -1.965 9.860 1.00 0.00 H new ATOM 0 HA LYS A 55 5.676 -3.328 9.177 1.00 0.00 H new ATOM 0 HB2 LYS A 55 7.179 -4.065 10.961 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.943 -2.565 11.835 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.553 -3.117 12.164 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.761 -4.602 11.258 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.444 -5.373 12.943 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.180 -3.903 13.859 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.079 -6.015 13.226 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.855 -5.772 14.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.783 -4.697 14.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.921 -3.448 14.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.987 -3.936 13.383 1.00 0.00 H new ATOM 768 N GLY A 56 3.870 -1.656 9.394 1.00 0.00 N ATOM 769 CA GLY A 56 2.768 -0.731 9.561 1.00 0.00 C ATOM 770 C GLY A 56 2.725 0.312 8.465 1.00 0.00 C ATOM 771 O GLY A 56 1.889 1.215 8.485 1.00 0.00 O ATOM 0 H GLY A 56 3.725 -2.370 8.680 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.829 -1.285 9.570 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.855 -0.236 10.528 1.00 0.00 H new ATOM 775 N ALA A 57 3.633 0.193 7.508 1.00 0.00 N ATOM 776 CA ALA A 57 3.696 1.131 6.399 1.00 0.00 C ATOM 777 C ALA A 57 3.128 0.509 5.130 1.00 0.00 C ATOM 778 O ALA A 57 2.356 -0.444 5.191 1.00 0.00 O ATOM 779 CB ALA A 57 5.125 1.586 6.173 1.00 0.00 C ATOM 0 H ALA A 57 4.337 -0.545 7.478 1.00 0.00 H new ATOM 0 HA ALA A 57 3.089 2.000 6.652 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.156 2.288 5.340 1.00 0.00 H new ATOM 0 HB2 ALA A 57 5.498 2.075 7.073 1.00 0.00 H new ATOM 0 HB3 ALA A 57 5.750 0.723 5.944 1.00 0.00 H new ATOM 785 N ILE A 58 3.499 1.057 3.977 1.00 0.00 N ATOM 786 CA ILE A 58 2.990 0.573 2.699 1.00 0.00 C ATOM 787 C ILE A 58 4.121 0.540 1.665 1.00 0.00 C ATOM 788 O ILE A 58 5.225 1.001 1.936 1.00 0.00 O ATOM 789 CB ILE A 58 1.826 1.451 2.158 1.00 0.00 C ATOM 790 CG1 ILE A 58 0.868 1.897 3.275 1.00 0.00 C ATOM 791 CG2 ILE A 58 1.038 0.698 1.095 1.00 0.00 C ATOM 792 CD1 ILE A 58 1.304 3.156 4.000 1.00 0.00 C ATOM 0 H ILE A 58 4.151 1.838 3.902 1.00 0.00 H new ATOM 0 HA ILE A 58 2.601 -0.431 2.867 1.00 0.00 H new ATOM 0 HB ILE A 58 2.280 2.341 1.723 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.121 2.061 2.847 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.771 1.089 4.000 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.228 1.328 0.728 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.699 0.439 0.268 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.623 -0.212 1.527 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.575 3.402 4.772 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.278 2.992 4.460 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.373 3.980 3.289 1.00 0.00 H new ATOM 804 N LEU A 59 3.848 -0.029 0.501 1.00 0.00 N ATOM 805 CA LEU A 59 4.820 -0.108 -0.580 1.00 0.00 C ATOM 806 C LEU A 59 4.277 0.597 -1.823 1.00 0.00 C ATOM 807 O LEU A 59 3.079 0.855 -1.913 1.00 0.00 O ATOM 808 CB LEU A 59 5.101 -1.575 -0.912 1.00 0.00 C ATOM 809 CG LEU A 59 6.443 -1.847 -1.572 1.00 0.00 C ATOM 810 CD1 LEU A 59 7.544 -1.849 -0.527 1.00 0.00 C ATOM 811 CD2 LEU A 59 6.403 -3.156 -2.337 1.00 0.00 C ATOM 0 H LEU A 59 2.946 -0.450 0.278 1.00 0.00 H new ATOM 0 HA LEU A 59 5.742 0.379 -0.264 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.043 -2.156 0.008 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.311 -1.939 -1.569 1.00 0.00 H new ATOM 0 HG LEU A 59 6.656 -1.053 -2.288 1.00 0.00 H new ATOM 0 HD11 LEU A 59 8.502 -2.045 -1.008 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.578 -0.878 -0.032 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.344 -2.626 0.211 1.00 0.00 H new ATOM 0 HD21 LEU A 59 7.372 -3.335 -2.803 1.00 0.00 H new ATOM 0 HD22 LEU A 59 6.174 -3.972 -1.651 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.634 -3.104 -3.108 1.00 0.00 H new ATOM 823 N GLN A 60 5.155 0.894 -2.776 1.00 0.00 N ATOM 824 CA GLN A 60 4.757 1.546 -4.021 1.00 0.00 C ATOM 825 C GLN A 60 5.681 1.155 -5.161 1.00 0.00 C ATOM 826 O GLN A 60 6.894 1.306 -5.075 1.00 0.00 O ATOM 827 CB GLN A 60 4.744 3.070 -3.832 1.00 0.00 C ATOM 828 CG GLN A 60 5.137 3.881 -5.065 1.00 0.00 C ATOM 829 CD GLN A 60 4.109 3.833 -6.176 1.00 0.00 C ATOM 830 OE1 GLN A 60 4.449 3.904 -7.355 1.00 0.00 O ATOM 831 NE2 GLN A 60 2.849 3.722 -5.807 1.00 0.00 N ATOM 0 H GLN A 60 6.153 0.692 -2.710 1.00 0.00 H new ATOM 0 HA GLN A 60 3.752 1.214 -4.280 1.00 0.00 H new ATOM 0 HB2 GLN A 60 3.744 3.373 -3.521 1.00 0.00 H new ATOM 0 HB3 GLN A 60 5.422 3.325 -3.018 1.00 0.00 H new ATOM 0 HG2 GLN A 60 5.294 4.919 -4.772 1.00 0.00 H new ATOM 0 HG3 GLN A 60 6.088 3.510 -5.446 1.00 0.00 H new ATOM 0 HE21 GLN A 60 2.611 3.666 -4.817 1.00 0.00 H new ATOM 0 HE22 GLN A 60 2.112 3.692 -6.512 1.00 0.00 H new ATOM 840 N SER A 61 5.086 0.648 -6.222 1.00 0.00 N ATOM 841 CA SER A 61 5.815 0.279 -7.416 1.00 0.00 C ATOM 842 C SER A 61 5.186 0.969 -8.618 1.00 0.00 C ATOM 843 O SER A 61 4.029 0.717 -8.946 1.00 0.00 O ATOM 844 CB SER A 61 5.773 -1.236 -7.596 1.00 0.00 C ATOM 845 OG SER A 61 5.995 -1.890 -6.358 1.00 0.00 O ATOM 0 H SER A 61 4.081 0.480 -6.279 1.00 0.00 H new ATOM 0 HA SER A 61 6.855 0.592 -7.325 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.806 -1.533 -8.003 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.530 -1.543 -8.317 1.00 0.00 H new ATOM 0 HG SER A 61 6.944 -1.830 -6.122 1.00 0.00 H new ATOM 851 N SER A 62 5.928 1.866 -9.246 1.00 0.00 N ATOM 852 CA SER A 62 5.425 2.594 -10.396 1.00 0.00 C ATOM 853 C SER A 62 5.289 1.671 -11.605 1.00 0.00 C ATOM 854 O SER A 62 6.241 1.458 -12.354 1.00 0.00 O ATOM 855 CB SER A 62 6.345 3.771 -10.712 1.00 0.00 C ATOM 856 OG SER A 62 6.533 4.580 -9.560 1.00 0.00 O ATOM 0 H SER A 62 6.882 2.107 -8.977 1.00 0.00 H new ATOM 0 HA SER A 62 4.434 2.980 -10.159 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.308 3.402 -11.066 1.00 0.00 H new ATOM 0 HB3 SER A 62 5.917 4.368 -11.517 1.00 0.00 H new ATOM 0 HG SER A 62 5.834 4.381 -8.903 1.00 0.00 H new ATOM 862 N GLU A 63 4.107 1.092 -11.756 1.00 0.00 N ATOM 863 CA GLU A 63 3.829 0.204 -12.872 1.00 0.00 C ATOM 864 C GLU A 63 3.011 0.921 -13.940 1.00 0.00 C ATOM 865 O GLU A 63 2.279 1.872 -13.646 1.00 0.00 O ATOM 866 CB GLU A 63 3.092 -1.055 -12.404 1.00 0.00 C ATOM 867 CG GLU A 63 3.871 -1.880 -11.391 1.00 0.00 C ATOM 868 CD GLU A 63 3.274 -3.257 -11.178 1.00 0.00 C ATOM 869 OE1 GLU A 63 2.166 -3.356 -10.610 1.00 0.00 O ATOM 870 OE2 GLU A 63 3.910 -4.250 -11.589 1.00 0.00 O ATOM 0 H GLU A 63 3.323 1.223 -11.116 1.00 0.00 H new ATOM 0 HA GLU A 63 4.784 -0.096 -13.303 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.138 -0.764 -11.965 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.868 -1.677 -13.271 1.00 0.00 H new ATOM 0 HG2 GLU A 63 4.902 -1.983 -11.728 1.00 0.00 H new ATOM 0 HG3 GLU A 63 3.899 -1.349 -10.440 1.00 0.00 H new ATOM 877 N GLY A 64 3.143 0.443 -15.171 1.00 0.00 N ATOM 878 CA GLY A 64 2.459 1.033 -16.314 1.00 0.00 C ATOM 879 C GLY A 64 0.953 1.221 -16.143 1.00 0.00 C ATOM 880 O GLY A 64 0.456 2.321 -16.382 1.00 0.00 O ATOM 0 H GLY A 64 3.725 -0.362 -15.404 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.909 2.003 -16.525 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.634 0.404 -17.187 1.00 0.00 H new ATOM 884 N PRO A 65 0.187 0.182 -15.736 1.00 0.00 N ATOM 885 CA PRO A 65 -1.279 0.268 -15.671 1.00 0.00 C ATOM 886 C PRO A 65 -1.772 1.381 -14.745 1.00 0.00 C ATOM 887 O PRO A 65 -2.460 2.302 -15.185 1.00 0.00 O ATOM 888 CB PRO A 65 -1.710 -1.104 -15.139 1.00 0.00 C ATOM 889 CG PRO A 65 -0.486 -1.691 -14.529 1.00 0.00 C ATOM 890 CD PRO A 65 0.671 -1.141 -15.311 1.00 0.00 C ATOM 0 HA PRO A 65 -1.702 0.510 -16.646 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -2.509 -1.007 -14.403 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -2.091 -1.735 -15.942 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.408 -1.422 -13.476 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -0.509 -2.780 -14.579 1.00 0.00 H new ATOM 0 HD2 PRO A 65 1.570 -1.064 -14.700 1.00 0.00 H new ATOM 0 HD3 PRO A 65 0.918 -1.773 -16.164 1.00 0.00 H new ATOM 898 N PHE A 66 -1.416 1.297 -13.468 1.00 0.00 N ATOM 899 CA PHE A 66 -1.853 2.286 -12.489 1.00 0.00 C ATOM 900 C PHE A 66 -0.960 2.247 -11.254 1.00 0.00 C ATOM 901 O PHE A 66 -1.360 2.681 -10.176 1.00 0.00 O ATOM 902 CB PHE A 66 -3.314 2.029 -12.090 1.00 0.00 C ATOM 903 CG PHE A 66 -3.498 0.825 -11.210 1.00 0.00 C ATOM 904 CD1 PHE A 66 -3.207 -0.445 -11.679 1.00 0.00 C ATOM 905 CD2 PHE A 66 -3.952 0.969 -9.910 1.00 0.00 C ATOM 906 CE1 PHE A 66 -3.362 -1.551 -10.869 1.00 0.00 C ATOM 907 CE2 PHE A 66 -4.110 -0.134 -9.092 1.00 0.00 C ATOM 908 CZ PHE A 66 -3.814 -1.395 -9.572 1.00 0.00 C ATOM 0 H PHE A 66 -0.827 0.556 -13.087 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.778 3.275 -12.942 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.700 2.908 -11.573 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.911 1.902 -12.993 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -2.854 -0.571 -12.692 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.185 1.953 -9.531 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.131 -2.536 -11.247 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.464 -0.010 -8.079 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.936 -2.258 -8.935 1.00 0.00 H new ATOM 918 N GLY A 67 0.259 1.756 -11.424 1.00 0.00 N ATOM 919 CA GLY A 67 1.168 1.646 -10.301 1.00 0.00 C ATOM 920 C GLY A 67 0.855 0.458 -9.423 1.00 0.00 C ATOM 921 O GLY A 67 0.207 -0.491 -9.862 1.00 0.00 O ATOM 0 H GLY A 67 0.634 1.433 -12.316 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.190 1.562 -10.671 1.00 0.00 H new ATOM 0 HA3 GLY A 67 1.118 2.558 -9.706 1.00 0.00 H new ATOM 925 N HIS A 68 1.304 0.512 -8.178 1.00 0.00 N ATOM 926 CA HIS A 68 1.127 -0.601 -7.259 1.00 0.00 C ATOM 927 C HIS A 68 1.422 -0.172 -5.836 1.00 0.00 C ATOM 928 O HIS A 68 2.523 0.284 -5.557 1.00 0.00 O ATOM 929 CB HIS A 68 2.102 -1.716 -7.616 1.00 0.00 C ATOM 930 CG HIS A 68 1.620 -3.082 -7.248 1.00 0.00 C ATOM 931 ND1 HIS A 68 1.408 -4.075 -8.177 1.00 0.00 N ATOM 932 CD2 HIS A 68 1.307 -3.619 -6.048 1.00 0.00 C ATOM 933 CE1 HIS A 68 0.979 -5.165 -7.565 1.00 0.00 C ATOM 934 NE2 HIS A 68 0.911 -4.908 -6.272 1.00 0.00 N ATOM 0 H HIS A 68 1.793 1.314 -7.782 1.00 0.00 H new ATOM 0 HA HIS A 68 0.095 -0.943 -7.338 1.00 0.00 H new ATOM 0 HB2 HIS A 68 2.296 -1.686 -8.688 1.00 0.00 H new ATOM 0 HB3 HIS A 68 3.052 -1.529 -7.115 1.00 0.00 H new ATOM 0 HD1 HIS A 68 1.559 -3.984 -9.182 1.00 0.00 H new ATOM 0 HD2 HIS A 68 1.360 -3.122 -5.090 1.00 0.00 H new ATOM 0 HE1 HIS A 68 0.728 -6.102 -8.040 1.00 0.00 H new ATOM 943 N VAL A 69 0.457 -0.301 -4.940 1.00 0.00 N ATOM 944 CA VAL A 69 0.736 -0.110 -3.529 1.00 0.00 C ATOM 945 C VAL A 69 0.272 -1.310 -2.707 1.00 0.00 C ATOM 946 O VAL A 69 -0.833 -1.820 -2.897 1.00 0.00 O ATOM 947 CB VAL A 69 0.103 1.185 -2.995 1.00 0.00 C ATOM 948 CG1 VAL A 69 0.737 2.381 -3.682 1.00 0.00 C ATOM 949 CG2 VAL A 69 -1.401 1.185 -3.198 1.00 0.00 C ATOM 0 H VAL A 69 -0.511 -0.534 -5.161 1.00 0.00 H new ATOM 0 HA VAL A 69 1.817 -0.020 -3.426 1.00 0.00 H new ATOM 0 HB VAL A 69 0.289 1.248 -1.923 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.288 3.299 -3.303 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.808 2.391 -3.480 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.571 2.313 -4.757 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.820 2.113 -2.810 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.625 1.102 -4.262 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.840 0.340 -2.668 1.00 0.00 H new ATOM 959 N ALA A 70 1.140 -1.766 -1.817 1.00 0.00 N ATOM 960 CA ALA A 70 0.864 -2.932 -0.987 1.00 0.00 C ATOM 961 C ALA A 70 1.226 -2.648 0.461 1.00 0.00 C ATOM 962 O ALA A 70 2.324 -2.182 0.746 1.00 0.00 O ATOM 963 CB ALA A 70 1.638 -4.135 -1.500 1.00 0.00 C ATOM 0 H ALA A 70 2.052 -1.342 -1.649 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.202 -3.154 -1.039 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.424 -5.000 -0.872 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.340 -4.349 -2.526 1.00 0.00 H new ATOM 0 HB3 ALA A 70 2.706 -3.920 -1.470 1.00 0.00 H new ATOM 969 N TYR A 71 0.310 -2.934 1.369 1.00 0.00 N ATOM 970 CA TYR A 71 0.487 -2.587 2.773 1.00 0.00 C ATOM 971 C TYR A 71 1.549 -3.471 3.429 1.00 0.00 C ATOM 972 O TYR A 71 1.486 -4.691 3.348 1.00 0.00 O ATOM 973 CB TYR A 71 -0.856 -2.711 3.496 1.00 0.00 C ATOM 974 CG TYR A 71 -0.793 -2.490 4.988 1.00 0.00 C ATOM 975 CD1 TYR A 71 -0.815 -1.208 5.522 1.00 0.00 C ATOM 976 CD2 TYR A 71 -0.728 -3.565 5.864 1.00 0.00 C ATOM 977 CE1 TYR A 71 -0.772 -1.003 6.887 1.00 0.00 C ATOM 978 CE2 TYR A 71 -0.689 -3.369 7.232 1.00 0.00 C ATOM 979 CZ TYR A 71 -0.713 -2.086 7.739 1.00 0.00 C ATOM 980 OH TYR A 71 -0.687 -1.884 9.101 1.00 0.00 O ATOM 0 H TYR A 71 -0.569 -3.408 1.160 1.00 0.00 H new ATOM 0 HA TYR A 71 0.837 -1.557 2.844 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -1.553 -1.992 3.065 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -1.265 -3.704 3.307 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -0.867 -0.357 4.859 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -0.708 -4.571 5.471 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -0.785 0.001 7.286 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -0.640 -4.216 7.900 1.00 0.00 H new ATOM 0 HH TYR A 71 -0.646 -2.749 9.559 1.00 0.00 H new ATOM 990 N VAL A 72 2.517 -2.846 4.077 1.00 0.00 N ATOM 991 CA VAL A 72 3.613 -3.567 4.704 1.00 0.00 C ATOM 992 C VAL A 72 3.281 -3.875 6.155 1.00 0.00 C ATOM 993 O VAL A 72 3.201 -2.970 6.985 1.00 0.00 O ATOM 994 CB VAL A 72 4.922 -2.753 4.666 1.00 0.00 C ATOM 995 CG1 VAL A 72 6.089 -3.584 5.180 1.00 0.00 C ATOM 996 CG2 VAL A 72 5.196 -2.227 3.264 1.00 0.00 C ATOM 0 H VAL A 72 2.566 -1.833 4.183 1.00 0.00 H new ATOM 0 HA VAL A 72 3.752 -4.491 4.143 1.00 0.00 H new ATOM 0 HB VAL A 72 4.807 -1.893 5.326 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.002 -2.990 5.144 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.894 -3.888 6.208 1.00 0.00 H new ATOM 0 HG13 VAL A 72 6.208 -4.470 4.556 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.125 -1.656 3.265 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.285 -3.065 2.572 1.00 0.00 H new ATOM 0 HG23 VAL A 72 4.375 -1.583 2.950 1.00 0.00 H new ATOM 1006 N GLU A 73 3.091 -5.145 6.464 1.00 0.00 N ATOM 1007 CA GLU A 73 2.748 -5.537 7.820 1.00 0.00 C ATOM 1008 C GLU A 73 3.994 -5.689 8.684 1.00 0.00 C ATOM 1009 O GLU A 73 3.901 -5.652 9.908 1.00 0.00 O ATOM 1010 CB GLU A 73 1.939 -6.836 7.829 1.00 0.00 C ATOM 1011 CG GLU A 73 0.583 -6.715 7.150 1.00 0.00 C ATOM 1012 CD GLU A 73 -0.295 -7.925 7.380 1.00 0.00 C ATOM 1013 OE1 GLU A 73 0.023 -9.009 6.841 1.00 0.00 O ATOM 1014 OE2 GLU A 73 -1.317 -7.800 8.091 1.00 0.00 O ATOM 0 H GLU A 73 3.167 -5.917 5.802 1.00 0.00 H new ATOM 0 HA GLU A 73 2.133 -4.742 8.242 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.516 -7.617 7.333 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.792 -7.155 8.861 1.00 0.00 H new ATOM 0 HG2 GLU A 73 0.074 -5.826 7.521 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.729 -6.575 6.079 1.00 0.00 H new ATOM 1021 N SER A 74 5.161 -5.840 8.051 1.00 0.00 N ATOM 1022 CA SER A 74 6.405 -6.034 8.794 1.00 0.00 C ATOM 1023 C SER A 74 7.611 -6.157 7.867 1.00 0.00 C ATOM 1024 O SER A 74 7.469 -6.405 6.670 1.00 0.00 O ATOM 1025 CB SER A 74 6.311 -7.288 9.673 1.00 0.00 C ATOM 1026 OG SER A 74 5.931 -8.424 8.912 1.00 0.00 O ATOM 0 H SER A 74 5.268 -5.832 7.037 1.00 0.00 H new ATOM 0 HA SER A 74 6.545 -5.152 9.419 1.00 0.00 H new ATOM 0 HB2 SER A 74 7.273 -7.473 10.151 1.00 0.00 H new ATOM 0 HB3 SER A 74 5.586 -7.123 10.470 1.00 0.00 H new ATOM 0 HG SER A 74 5.881 -9.208 9.498 1.00 0.00 H new ATOM 1032 N VAL A 75 8.794 -5.965 8.435 1.00 0.00 N ATOM 1033 CA VAL A 75 10.043 -6.252 7.744 1.00 0.00 C ATOM 1034 C VAL A 75 10.726 -7.431 8.430 1.00 0.00 C ATOM 1035 O VAL A 75 10.793 -7.488 9.661 1.00 0.00 O ATOM 1036 CB VAL A 75 10.989 -5.023 7.714 1.00 0.00 C ATOM 1037 CG1 VAL A 75 11.220 -4.474 9.114 1.00 0.00 C ATOM 1038 CG2 VAL A 75 12.319 -5.371 7.048 1.00 0.00 C ATOM 0 H VAL A 75 8.914 -5.608 9.383 1.00 0.00 H new ATOM 0 HA VAL A 75 9.814 -6.500 6.708 1.00 0.00 H new ATOM 0 HB VAL A 75 10.504 -4.247 7.122 1.00 0.00 H new ATOM 0 HG11 VAL A 75 11.887 -3.613 9.062 1.00 0.00 H new ATOM 0 HG12 VAL A 75 10.267 -4.169 9.547 1.00 0.00 H new ATOM 0 HG13 VAL A 75 11.672 -5.246 9.737 1.00 0.00 H new ATOM 0 HG21 VAL A 75 12.963 -4.492 7.040 1.00 0.00 H new ATOM 0 HG22 VAL A 75 12.806 -6.172 7.604 1.00 0.00 H new ATOM 0 HG23 VAL A 75 12.139 -5.698 6.024 1.00 0.00 H new ATOM 1048 N ASN A 76 11.206 -8.380 7.646 1.00 0.00 N ATOM 1049 CA ASN A 76 11.787 -9.594 8.197 1.00 0.00 C ATOM 1050 C ASN A 76 13.251 -9.375 8.549 1.00 0.00 C ATOM 1051 O ASN A 76 13.906 -8.487 7.998 1.00 0.00 O ATOM 1052 CB ASN A 76 11.661 -10.757 7.207 1.00 0.00 C ATOM 1053 CG ASN A 76 10.219 -11.053 6.837 1.00 0.00 C ATOM 1054 OD1 ASN A 76 9.302 -10.860 7.638 1.00 0.00 O ATOM 1055 ND2 ASN A 76 10.007 -11.526 5.620 1.00 0.00 N ATOM 0 H ASN A 76 11.206 -8.335 6.627 1.00 0.00 H new ATOM 0 HA ASN A 76 11.238 -9.845 9.104 1.00 0.00 H new ATOM 0 HB2 ASN A 76 12.224 -10.523 6.303 1.00 0.00 H new ATOM 0 HB3 ASN A 76 12.112 -11.650 7.641 1.00 0.00 H new ATOM 0 HD21 ASN A 76 9.058 -11.744 5.316 1.00 0.00 H new ATOM 0 HD22 ASN A 76 10.792 -11.672 4.986 1.00 0.00 H new ATOM 1062 N SER A 77 13.760 -10.193 9.460 1.00 0.00 N ATOM 1063 CA SER A 77 15.158 -10.119 9.876 1.00 0.00 C ATOM 1064 C SER A 77 16.098 -10.394 8.702 1.00 0.00 C ATOM 1065 O SER A 77 17.265 -10.008 8.724 1.00 0.00 O ATOM 1066 CB SER A 77 15.413 -11.113 11.007 1.00 0.00 C ATOM 1067 OG SER A 77 14.503 -10.903 12.077 1.00 0.00 O ATOM 0 H SER A 77 13.222 -10.922 9.930 1.00 0.00 H new ATOM 0 HA SER A 77 15.359 -9.109 10.234 1.00 0.00 H new ATOM 0 HB2 SER A 77 15.312 -12.131 10.632 1.00 0.00 H new ATOM 0 HB3 SER A 77 16.436 -11.006 11.367 1.00 0.00 H new ATOM 0 HG SER A 77 14.682 -11.551 12.790 1.00 0.00 H new ATOM 1073 N ASP A 78 15.568 -11.057 7.674 1.00 0.00 N ATOM 1074 CA ASP A 78 16.306 -11.316 6.437 1.00 0.00 C ATOM 1075 C ASP A 78 16.711 -10.007 5.760 1.00 0.00 C ATOM 1076 O ASP A 78 17.628 -9.975 4.943 1.00 0.00 O ATOM 1077 CB ASP A 78 15.445 -12.132 5.466 1.00 0.00 C ATOM 1078 CG ASP A 78 15.092 -13.508 5.990 1.00 0.00 C ATOM 1079 OD1 ASP A 78 14.343 -13.599 6.986 1.00 0.00 O ATOM 1080 OD2 ASP A 78 15.553 -14.508 5.404 1.00 0.00 O ATOM 0 H ASP A 78 14.618 -11.429 7.675 1.00 0.00 H new ATOM 0 HA ASP A 78 17.204 -11.878 6.696 1.00 0.00 H new ATOM 0 HB2 ASP A 78 14.526 -11.584 5.257 1.00 0.00 H new ATOM 0 HB3 ASP A 78 15.976 -12.236 4.520 1.00 0.00 H new ATOM 1085 N GLY A 79 16.007 -8.933 6.097 1.00 0.00 N ATOM 1086 CA GLY A 79 16.252 -7.649 5.470 1.00 0.00 C ATOM 1087 C GLY A 79 15.189 -7.326 4.451 1.00 0.00 C ATOM 1088 O GLY A 79 15.037 -6.182 4.031 1.00 0.00 O ATOM 0 H GLY A 79 15.266 -8.930 6.798 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.278 -6.869 6.231 1.00 0.00 H new ATOM 0 HA3 GLY A 79 17.230 -7.658 4.989 1.00 0.00 H new ATOM 1092 N SER A 80 14.460 -8.354 4.055 1.00 0.00 N ATOM 1093 CA SER A 80 13.367 -8.205 3.119 1.00 0.00 C ATOM 1094 C SER A 80 12.066 -7.972 3.878 1.00 0.00 C ATOM 1095 O SER A 80 11.887 -8.487 4.981 1.00 0.00 O ATOM 1096 CB SER A 80 13.269 -9.461 2.254 1.00 0.00 C ATOM 1097 OG SER A 80 14.539 -9.805 1.724 1.00 0.00 O ATOM 0 H SER A 80 14.610 -9.311 4.374 1.00 0.00 H new ATOM 0 HA SER A 80 13.548 -7.345 2.474 1.00 0.00 H new ATOM 0 HB2 SER A 80 12.881 -10.288 2.848 1.00 0.00 H new ATOM 0 HB3 SER A 80 12.563 -9.294 1.441 1.00 0.00 H new ATOM 0 HG SER A 80 14.456 -10.612 1.175 1.00 0.00 H new ATOM 1103 N VAL A 81 11.163 -7.196 3.303 1.00 0.00 N ATOM 1104 CA VAL A 81 9.924 -6.863 3.989 1.00 0.00 C ATOM 1105 C VAL A 81 8.776 -7.751 3.516 1.00 0.00 C ATOM 1106 O VAL A 81 8.812 -8.299 2.409 1.00 0.00 O ATOM 1107 CB VAL A 81 9.537 -5.376 3.807 1.00 0.00 C ATOM 1108 CG1 VAL A 81 10.715 -4.470 4.130 1.00 0.00 C ATOM 1109 CG2 VAL A 81 9.021 -5.103 2.404 1.00 0.00 C ATOM 0 H VAL A 81 11.261 -6.788 2.373 1.00 0.00 H new ATOM 0 HA VAL A 81 10.102 -7.040 5.050 1.00 0.00 H new ATOM 0 HB VAL A 81 8.730 -5.157 4.506 1.00 0.00 H new ATOM 0 HG11 VAL A 81 10.421 -3.429 3.995 1.00 0.00 H new ATOM 0 HG12 VAL A 81 11.024 -4.629 5.163 1.00 0.00 H new ATOM 0 HG13 VAL A 81 11.546 -4.701 3.463 1.00 0.00 H new ATOM 0 HG21 VAL A 81 8.759 -4.049 2.312 1.00 0.00 H new ATOM 0 HG22 VAL A 81 9.795 -5.349 1.677 1.00 0.00 H new ATOM 0 HG23 VAL A 81 8.139 -5.715 2.215 1.00 0.00 H new ATOM 1119 N THR A 82 7.767 -7.890 4.360 1.00 0.00 N ATOM 1120 CA THR A 82 6.596 -8.680 4.036 1.00 0.00 C ATOM 1121 C THR A 82 5.404 -7.766 3.768 1.00 0.00 C ATOM 1122 O THR A 82 4.872 -7.133 4.686 1.00 0.00 O ATOM 1123 CB THR A 82 6.255 -9.656 5.181 1.00 0.00 C ATOM 1124 OG1 THR A 82 7.358 -10.544 5.409 1.00 0.00 O ATOM 1125 CG2 THR A 82 5.005 -10.466 4.862 1.00 0.00 C ATOM 0 H THR A 82 7.738 -7.460 5.284 1.00 0.00 H new ATOM 0 HA THR A 82 6.816 -9.260 3.140 1.00 0.00 H new ATOM 0 HB THR A 82 6.063 -9.069 6.079 1.00 0.00 H new ATOM 0 HG1 THR A 82 7.719 -10.393 6.307 1.00 0.00 H new ATOM 0 HG21 THR A 82 4.791 -11.145 5.688 1.00 0.00 H new ATOM 0 HG22 THR A 82 4.161 -9.791 4.718 1.00 0.00 H new ATOM 0 HG23 THR A 82 5.168 -11.043 3.951 1.00 0.00 H new ATOM 1133 N ILE A 83 5.009 -7.677 2.507 1.00 0.00 N ATOM 1134 CA ILE A 83 3.876 -6.851 2.132 1.00 0.00 C ATOM 1135 C ILE A 83 2.614 -7.694 2.021 1.00 0.00 C ATOM 1136 O ILE A 83 2.664 -8.862 1.627 1.00 0.00 O ATOM 1137 CB ILE A 83 4.128 -6.080 0.810 1.00 0.00 C ATOM 1138 CG1 ILE A 83 4.457 -7.026 -0.353 1.00 0.00 C ATOM 1139 CG2 ILE A 83 5.246 -5.065 0.994 1.00 0.00 C ATOM 1140 CD1 ILE A 83 3.249 -7.444 -1.166 1.00 0.00 C ATOM 0 H ILE A 83 5.455 -8.165 1.730 1.00 0.00 H new ATOM 0 HA ILE A 83 3.741 -6.111 2.921 1.00 0.00 H new ATOM 0 HB ILE A 83 3.206 -5.557 0.557 1.00 0.00 H new ATOM 0 HG12 ILE A 83 5.175 -6.539 -1.012 1.00 0.00 H new ATOM 0 HG13 ILE A 83 4.942 -7.918 0.043 1.00 0.00 H new ATOM 0 HG21 ILE A 83 5.411 -4.532 0.058 1.00 0.00 H new ATOM 0 HG22 ILE A 83 4.968 -4.354 1.772 1.00 0.00 H new ATOM 0 HG23 ILE A 83 6.161 -5.581 1.284 1.00 0.00 H new ATOM 0 HD11 ILE A 83 3.564 -8.111 -1.968 1.00 0.00 H new ATOM 0 HD12 ILE A 83 2.538 -7.961 -0.522 1.00 0.00 H new ATOM 0 HD13 ILE A 83 2.775 -6.561 -1.594 1.00 0.00 H new ATOM 1152 N SER A 84 1.497 -7.099 2.393 1.00 0.00 N ATOM 1153 CA SER A 84 0.212 -7.753 2.323 1.00 0.00 C ATOM 1154 C SER A 84 -0.811 -6.829 1.680 1.00 0.00 C ATOM 1155 O SER A 84 -1.201 -5.810 2.252 1.00 0.00 O ATOM 1156 CB SER A 84 -0.254 -8.158 3.718 1.00 0.00 C ATOM 1157 OG SER A 84 0.683 -9.023 4.338 1.00 0.00 O ATOM 0 H SER A 84 1.459 -6.145 2.753 1.00 0.00 H new ATOM 0 HA SER A 84 0.311 -8.651 1.713 1.00 0.00 H new ATOM 0 HB2 SER A 84 -0.393 -7.268 4.331 1.00 0.00 H new ATOM 0 HB3 SER A 84 -1.223 -8.654 3.652 1.00 0.00 H new ATOM 0 HG SER A 84 0.716 -8.834 5.299 1.00 0.00 H new ATOM 1163 N GLU A 85 -1.215 -7.180 0.482 1.00 0.00 N ATOM 1164 CA GLU A 85 -2.234 -6.446 -0.244 1.00 0.00 C ATOM 1165 C GLU A 85 -3.297 -7.423 -0.699 1.00 0.00 C ATOM 1166 O GLU A 85 -3.072 -8.622 -0.677 1.00 0.00 O ATOM 1167 CB GLU A 85 -1.624 -5.770 -1.475 1.00 0.00 C ATOM 1168 CG GLU A 85 -1.139 -6.773 -2.513 1.00 0.00 C ATOM 1169 CD GLU A 85 -0.614 -6.135 -3.779 1.00 0.00 C ATOM 1170 OE1 GLU A 85 -1.420 -5.580 -4.555 1.00 0.00 O ATOM 1171 OE2 GLU A 85 0.608 -6.216 -4.025 1.00 0.00 O ATOM 0 H GLU A 85 -0.846 -7.986 -0.022 1.00 0.00 H new ATOM 0 HA GLU A 85 -2.663 -5.683 0.405 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -2.366 -5.113 -1.929 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.789 -5.142 -1.164 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -0.352 -7.386 -2.073 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -1.960 -7.443 -2.768 1.00 0.00 H new ATOM 1178 N MET A 86 -4.451 -6.932 -1.081 1.00 0.00 N ATOM 1179 CA MET A 86 -5.387 -7.743 -1.821 1.00 0.00 C ATOM 1180 C MET A 86 -5.450 -7.229 -3.237 1.00 0.00 C ATOM 1181 O MET A 86 -5.860 -6.101 -3.471 1.00 0.00 O ATOM 1182 CB MET A 86 -6.784 -7.702 -1.232 1.00 0.00 C ATOM 1183 CG MET A 86 -7.665 -8.809 -1.787 1.00 0.00 C ATOM 1184 SD MET A 86 -7.586 -10.325 -0.815 1.00 0.00 S ATOM 1185 CE MET A 86 -8.215 -9.754 0.762 1.00 0.00 C ATOM 0 H MET A 86 -4.764 -5.979 -0.893 1.00 0.00 H new ATOM 0 HA MET A 86 -5.038 -8.775 -1.779 1.00 0.00 H new ATOM 0 HB2 MET A 86 -6.724 -7.795 -0.148 1.00 0.00 H new ATOM 0 HB3 MET A 86 -7.239 -6.735 -1.444 1.00 0.00 H new ATOM 0 HG2 MET A 86 -8.697 -8.461 -1.824 1.00 0.00 H new ATOM 0 HG3 MET A 86 -7.365 -9.025 -2.812 1.00 0.00 H new ATOM 0 HE1 MET A 86 -8.750 -10.565 1.255 1.00 0.00 H new ATOM 0 HE2 MET A 86 -7.384 -9.432 1.390 1.00 0.00 H new ATOM 0 HE3 MET A 86 -8.894 -8.916 0.601 1.00 0.00 H new ATOM 1195 N ASN A 87 -5.052 -8.043 -4.176 1.00 0.00 N ATOM 1196 CA ASN A 87 -4.998 -7.610 -5.554 1.00 0.00 C ATOM 1197 C ASN A 87 -6.356 -7.738 -6.197 1.00 0.00 C ATOM 1198 O ASN A 87 -6.766 -8.831 -6.550 1.00 0.00 O ATOM 1199 CB ASN A 87 -4.004 -8.439 -6.359 1.00 0.00 C ATOM 1200 CG ASN A 87 -3.954 -8.027 -7.821 1.00 0.00 C ATOM 1201 OD1 ASN A 87 -3.691 -8.851 -8.698 1.00 0.00 O ATOM 1202 ND2 ASN A 87 -4.194 -6.752 -8.096 1.00 0.00 N ATOM 0 H ASN A 87 -4.760 -9.008 -4.018 1.00 0.00 H new ATOM 0 HA ASN A 87 -4.677 -6.568 -5.553 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -3.011 -8.336 -5.921 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -4.275 -9.493 -6.291 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -4.164 -6.424 -9.061 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -4.408 -6.099 -7.342 1.00 0.00 H new ATOM 1209 N TYR A 88 -7.075 -6.644 -6.313 1.00 0.00 N ATOM 1210 CA TYR A 88 -8.298 -6.669 -7.097 1.00 0.00 C ATOM 1211 C TYR A 88 -8.009 -6.276 -8.543 1.00 0.00 C ATOM 1212 O TYR A 88 -8.469 -6.926 -9.473 1.00 0.00 O ATOM 1213 CB TYR A 88 -9.350 -5.749 -6.496 1.00 0.00 C ATOM 1214 CG TYR A 88 -10.752 -5.984 -7.016 1.00 0.00 C ATOM 1215 CD1 TYR A 88 -11.577 -6.926 -6.420 1.00 0.00 C ATOM 1216 CD2 TYR A 88 -11.254 -5.254 -8.085 1.00 0.00 C ATOM 1217 CE1 TYR A 88 -12.865 -7.136 -6.874 1.00 0.00 C ATOM 1218 CE2 TYR A 88 -12.539 -5.460 -8.547 1.00 0.00 C ATOM 1219 CZ TYR A 88 -13.340 -6.402 -7.939 1.00 0.00 C ATOM 1220 OH TYR A 88 -14.625 -6.602 -8.391 1.00 0.00 O ATOM 0 H TYR A 88 -6.846 -5.745 -5.888 1.00 0.00 H new ATOM 0 HA TYR A 88 -8.691 -7.686 -7.082 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -9.351 -5.875 -5.413 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -9.069 -4.715 -6.696 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -11.207 -7.505 -5.587 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -10.630 -4.513 -8.563 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -13.496 -7.871 -6.397 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -12.914 -4.885 -9.381 1.00 0.00 H new ATOM 0 HH TYR A 88 -14.803 -6.004 -9.147 1.00 0.00 H new ATOM 1230 N SER A 89 -7.245 -5.213 -8.733 1.00 0.00 N ATOM 1231 CA SER A 89 -6.873 -4.788 -10.074 1.00 0.00 C ATOM 1232 C SER A 89 -5.725 -5.649 -10.600 1.00 0.00 C ATOM 1233 O SER A 89 -4.547 -5.316 -10.443 1.00 0.00 O ATOM 1234 CB SER A 89 -6.499 -3.310 -10.065 1.00 0.00 C ATOM 1235 OG SER A 89 -7.541 -2.541 -9.488 1.00 0.00 O ATOM 0 H SER A 89 -6.872 -4.632 -7.982 1.00 0.00 H new ATOM 0 HA SER A 89 -7.723 -4.919 -10.743 1.00 0.00 H new ATOM 0 HB2 SER A 89 -5.577 -3.165 -9.502 1.00 0.00 H new ATOM 0 HB3 SER A 89 -6.308 -2.970 -11.083 1.00 0.00 H new ATOM 0 HG SER A 89 -7.287 -1.594 -9.487 1.00 0.00 H new ATOM 1241 N GLY A 90 -6.091 -6.775 -11.191 1.00 0.00 N ATOM 1242 CA GLY A 90 -5.129 -7.762 -11.635 1.00 0.00 C ATOM 1243 C GLY A 90 -5.729 -9.148 -11.571 1.00 0.00 C ATOM 1244 O GLY A 90 -6.342 -9.605 -12.531 1.00 0.00 O ATOM 0 H GLY A 90 -7.062 -7.027 -11.375 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -4.816 -7.541 -12.655 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -4.237 -7.716 -11.011 1.00 0.00 H new ATOM 1248 N GLY A 91 -5.563 -9.810 -10.437 1.00 0.00 N ATOM 1249 CA GLY A 91 -6.283 -11.039 -10.174 1.00 0.00 C ATOM 1250 C GLY A 91 -7.100 -10.899 -8.909 1.00 0.00 C ATOM 1251 O GLY A 91 -6.639 -11.285 -7.841 1.00 0.00 O ATOM 0 H GLY A 91 -4.937 -9.515 -9.688 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -6.936 -11.275 -11.014 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -5.581 -11.867 -10.074 1.00 0.00 H new ATOM 1255 N PRO A 92 -8.318 -10.334 -9.007 1.00 0.00 N ATOM 1256 CA PRO A 92 -9.108 -9.901 -7.845 1.00 0.00 C ATOM 1257 C PRO A 92 -9.135 -10.893 -6.684 1.00 0.00 C ATOM 1258 O PRO A 92 -9.381 -12.089 -6.858 1.00 0.00 O ATOM 1259 CB PRO A 92 -10.500 -9.682 -8.430 1.00 0.00 C ATOM 1260 CG PRO A 92 -10.229 -9.264 -9.830 1.00 0.00 C ATOM 1261 CD PRO A 92 -9.034 -10.071 -10.271 1.00 0.00 C ATOM 0 HA PRO A 92 -8.672 -9.013 -7.386 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -11.099 -10.592 -8.392 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -11.049 -8.916 -7.882 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -11.090 -9.457 -10.470 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -10.023 -8.195 -9.887 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -9.333 -10.996 -10.764 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -8.414 -9.519 -10.977 1.00 0.00 H new ATOM 1269 N PHE A 93 -8.843 -10.344 -5.502 1.00 0.00 N ATOM 1270 CA PHE A 93 -8.774 -11.073 -4.236 1.00 0.00 C ATOM 1271 C PHE A 93 -7.517 -11.922 -4.122 1.00 0.00 C ATOM 1272 O PHE A 93 -7.399 -12.739 -3.207 1.00 0.00 O ATOM 1273 CB PHE A 93 -10.005 -11.928 -3.977 1.00 0.00 C ATOM 1274 CG PHE A 93 -11.257 -11.127 -3.750 1.00 0.00 C ATOM 1275 CD1 PHE A 93 -11.526 -10.581 -2.506 1.00 0.00 C ATOM 1276 CD2 PHE A 93 -12.163 -10.918 -4.779 1.00 0.00 C ATOM 1277 CE1 PHE A 93 -12.673 -9.841 -2.291 1.00 0.00 C ATOM 1278 CE2 PHE A 93 -13.311 -10.178 -4.569 1.00 0.00 C ATOM 1279 CZ PHE A 93 -13.567 -9.638 -3.325 1.00 0.00 C ATOM 0 H PHE A 93 -8.642 -9.349 -5.398 1.00 0.00 H new ATOM 0 HA PHE A 93 -8.737 -10.302 -3.467 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -10.159 -12.595 -4.825 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -9.823 -12.557 -3.106 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -10.831 -10.735 -1.694 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -11.969 -11.338 -5.755 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -12.871 -9.422 -1.316 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -14.008 -10.022 -5.379 1.00 0.00 H new ATOM 0 HZ PHE A 93 -14.463 -9.059 -3.160 1.00 0.00 H new ATOM 1289 N SER A 94 -6.573 -11.730 -5.027 1.00 0.00 N ATOM 1290 CA SER A 94 -5.246 -12.282 -4.830 1.00 0.00 C ATOM 1291 C SER A 94 -4.554 -11.490 -3.744 1.00 0.00 C ATOM 1292 O SER A 94 -3.873 -10.508 -4.031 1.00 0.00 O ATOM 1293 CB SER A 94 -4.399 -12.230 -6.107 1.00 0.00 C ATOM 1294 OG SER A 94 -4.756 -13.259 -7.017 1.00 0.00 O ATOM 0 H SER A 94 -6.698 -11.204 -5.892 1.00 0.00 H new ATOM 0 HA SER A 94 -5.353 -13.330 -4.550 1.00 0.00 H new ATOM 0 HB2 SER A 94 -4.525 -11.260 -6.588 1.00 0.00 H new ATOM 0 HB3 SER A 94 -3.344 -12.323 -5.848 1.00 0.00 H new ATOM 0 HG SER A 94 -5.492 -12.952 -7.586 1.00 0.00 H new ATOM 1300 N VAL A 95 -4.791 -11.853 -2.493 1.00 0.00 N ATOM 1301 CA VAL A 95 -4.100 -11.199 -1.410 1.00 0.00 C ATOM 1302 C VAL A 95 -2.607 -11.502 -1.524 1.00 0.00 C ATOM 1303 O VAL A 95 -2.127 -12.565 -1.126 1.00 0.00 O ATOM 1304 CB VAL A 95 -4.669 -11.569 -0.018 1.00 0.00 C ATOM 1305 CG1 VAL A 95 -5.006 -13.038 0.054 1.00 0.00 C ATOM 1306 CG2 VAL A 95 -3.713 -11.176 1.102 1.00 0.00 C ATOM 0 H VAL A 95 -5.445 -12.584 -2.213 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.257 -10.124 -1.498 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.589 -11.001 0.121 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -5.404 -13.272 1.042 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.752 -13.278 -0.704 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.106 -13.627 -0.124 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -4.146 -11.451 2.064 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.764 -11.696 0.970 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -3.544 -10.100 1.075 1.00 0.00 H new ATOM 1316 N SER A 96 -1.902 -10.566 -2.137 1.00 0.00 N ATOM 1317 CA SER A 96 -0.526 -10.755 -2.528 1.00 0.00 C ATOM 1318 C SER A 96 0.413 -10.540 -1.356 1.00 0.00 C ATOM 1319 O SER A 96 0.240 -9.618 -0.553 1.00 0.00 O ATOM 1320 CB SER A 96 -0.185 -9.802 -3.682 1.00 0.00 C ATOM 1321 OG SER A 96 1.190 -9.857 -4.027 1.00 0.00 O ATOM 0 H SER A 96 -2.277 -9.648 -2.377 1.00 0.00 H new ATOM 0 HA SER A 96 -0.396 -11.784 -2.864 1.00 0.00 H new ATOM 0 HB2 SER A 96 -0.788 -10.057 -4.553 1.00 0.00 H new ATOM 0 HB3 SER A 96 -0.448 -8.782 -3.400 1.00 0.00 H new ATOM 0 HG SER A 96 1.367 -9.238 -4.766 1.00 0.00 H new ATOM 1327 N SER A 97 1.387 -11.420 -1.257 1.00 0.00 N ATOM 1328 CA SER A 97 2.421 -11.315 -0.245 1.00 0.00 C ATOM 1329 C SER A 97 3.783 -11.604 -0.860 1.00 0.00 C ATOM 1330 O SER A 97 4.220 -12.754 -0.925 1.00 0.00 O ATOM 1331 CB SER A 97 2.142 -12.273 0.913 1.00 0.00 C ATOM 1332 OG SER A 97 0.879 -12.001 1.499 1.00 0.00 O ATOM 0 H SER A 97 1.486 -12.227 -1.873 1.00 0.00 H new ATOM 0 HA SER A 97 2.422 -10.298 0.148 1.00 0.00 H new ATOM 0 HB2 SER A 97 2.167 -13.302 0.554 1.00 0.00 H new ATOM 0 HB3 SER A 97 2.925 -12.179 1.666 1.00 0.00 H new ATOM 0 HG SER A 97 0.719 -12.626 2.237 1.00 0.00 H new ATOM 1338 N ARG A 98 4.432 -10.561 -1.348 1.00 0.00 N ATOM 1339 CA ARG A 98 5.741 -10.700 -1.961 1.00 0.00 C ATOM 1340 C ARG A 98 6.833 -10.355 -0.954 1.00 0.00 C ATOM 1341 O ARG A 98 6.612 -9.561 -0.037 1.00 0.00 O ATOM 1342 CB ARG A 98 5.863 -9.795 -3.193 1.00 0.00 C ATOM 1343 CG ARG A 98 7.167 -9.990 -3.945 1.00 0.00 C ATOM 1344 CD ARG A 98 7.370 -8.955 -5.036 1.00 0.00 C ATOM 1345 NE ARG A 98 8.693 -9.092 -5.636 1.00 0.00 N ATOM 1346 CZ ARG A 98 9.541 -8.084 -5.839 1.00 0.00 C ATOM 1347 NH1 ARG A 98 9.161 -6.828 -5.620 1.00 0.00 N ATOM 1348 NH2 ARG A 98 10.762 -8.332 -6.280 1.00 0.00 N ATOM 0 H ARG A 98 4.073 -9.607 -1.331 1.00 0.00 H new ATOM 0 HA ARG A 98 5.861 -11.736 -2.278 1.00 0.00 H new ATOM 0 HB2 ARG A 98 5.029 -9.992 -3.866 1.00 0.00 H new ATOM 0 HB3 ARG A 98 5.782 -8.754 -2.882 1.00 0.00 H new ATOM 0 HG2 ARG A 98 7.999 -9.940 -3.242 1.00 0.00 H new ATOM 0 HG3 ARG A 98 7.182 -10.986 -4.387 1.00 0.00 H new ATOM 0 HD2 ARG A 98 6.604 -9.072 -5.802 1.00 0.00 H new ATOM 0 HD3 ARG A 98 7.255 -7.954 -4.621 1.00 0.00 H new ATOM 0 HE ARG A 98 8.990 -10.025 -5.920 1.00 0.00 H new ATOM 0 HH11 ARG A 98 8.215 -6.631 -5.294 1.00 0.00 H new ATOM 0 HH12 ARG A 98 9.816 -6.062 -5.778 1.00 0.00 H new ATOM 0 HH21 ARG A 98 11.053 -9.292 -6.464 1.00 0.00 H new ATOM 0 HH22 ARG A 98 11.414 -7.563 -6.437 1.00 0.00 H new ATOM 1362 N THR A 99 8.002 -10.952 -1.124 1.00 0.00 N ATOM 1363 CA THR A 99 9.133 -10.672 -0.266 1.00 0.00 C ATOM 1364 C THR A 99 10.002 -9.597 -0.906 1.00 0.00 C ATOM 1365 O THR A 99 10.738 -9.866 -1.855 1.00 0.00 O ATOM 1366 CB THR A 99 9.956 -11.949 -0.015 1.00 0.00 C ATOM 1367 OG1 THR A 99 9.082 -13.002 0.419 1.00 0.00 O ATOM 1368 CG2 THR A 99 11.025 -11.720 1.038 1.00 0.00 C ATOM 0 H THR A 99 8.189 -11.638 -1.855 1.00 0.00 H new ATOM 0 HA THR A 99 8.767 -10.313 0.696 1.00 0.00 H new ATOM 0 HB THR A 99 10.448 -12.225 -0.948 1.00 0.00 H new ATOM 0 HG1 THR A 99 9.604 -13.816 0.578 1.00 0.00 H new ATOM 0 HG21 THR A 99 11.588 -12.641 1.191 1.00 0.00 H new ATOM 0 HG22 THR A 99 11.701 -10.933 0.705 1.00 0.00 H new ATOM 0 HG23 THR A 99 10.555 -11.422 1.975 1.00 0.00 H new ATOM 1376 N ILE A 100 9.882 -8.375 -0.407 1.00 0.00 N ATOM 1377 CA ILE A 100 10.579 -7.242 -0.996 1.00 0.00 C ATOM 1378 C ILE A 100 12.022 -7.193 -0.523 1.00 0.00 C ATOM 1379 O ILE A 100 12.281 -6.987 0.661 1.00 0.00 O ATOM 1380 CB ILE A 100 9.900 -5.901 -0.641 1.00 0.00 C ATOM 1381 CG1 ILE A 100 8.428 -5.903 -1.062 1.00 0.00 C ATOM 1382 CG2 ILE A 100 10.637 -4.734 -1.286 1.00 0.00 C ATOM 1383 CD1 ILE A 100 8.210 -6.214 -2.526 1.00 0.00 C ATOM 0 H ILE A 100 9.309 -8.143 0.404 1.00 0.00 H new ATOM 0 HA ILE A 100 10.544 -7.381 -2.077 1.00 0.00 H new ATOM 0 HB ILE A 100 9.944 -5.780 0.441 1.00 0.00 H new ATOM 0 HG12 ILE A 100 7.889 -6.635 -0.461 1.00 0.00 H new ATOM 0 HG13 ILE A 100 7.995 -4.928 -0.839 1.00 0.00 H new ATOM 0 HG21 ILE A 100 10.141 -3.800 -1.022 1.00 0.00 H new ATOM 0 HG22 ILE A 100 11.667 -4.712 -0.929 1.00 0.00 H new ATOM 0 HG23 ILE A 100 10.632 -4.854 -2.369 1.00 0.00 H new ATOM 0 HD11 ILE A 100 7.143 -6.197 -2.747 1.00 0.00 H new ATOM 0 HD12 ILE A 100 8.719 -5.468 -3.136 1.00 0.00 H new ATOM 0 HD13 ILE A 100 8.611 -7.202 -2.752 1.00 0.00 H new ATOM 1395 N SER A 101 12.950 -7.386 -1.448 1.00 0.00 N ATOM 1396 CA SER A 101 14.370 -7.311 -1.140 1.00 0.00 C ATOM 1397 C SER A 101 14.736 -5.926 -0.600 1.00 0.00 C ATOM 1398 O SER A 101 14.127 -4.928 -0.985 1.00 0.00 O ATOM 1399 CB SER A 101 15.181 -7.611 -2.398 1.00 0.00 C ATOM 1400 OG SER A 101 14.718 -8.791 -3.030 1.00 0.00 O ATOM 0 H SER A 101 12.743 -7.597 -2.424 1.00 0.00 H new ATOM 0 HA SER A 101 14.601 -8.049 -0.372 1.00 0.00 H new ATOM 0 HB2 SER A 101 15.110 -6.772 -3.090 1.00 0.00 H new ATOM 0 HB3 SER A 101 16.234 -7.722 -2.139 1.00 0.00 H new ATOM 0 HG SER A 101 14.011 -8.564 -3.669 1.00 0.00 H new ATOM 1406 N ALA A 102 15.725 -5.871 0.287 1.00 0.00 N ATOM 1407 CA ALA A 102 16.174 -4.611 0.879 1.00 0.00 C ATOM 1408 C ALA A 102 16.573 -3.589 -0.186 1.00 0.00 C ATOM 1409 O ALA A 102 16.363 -2.386 -0.013 1.00 0.00 O ATOM 1410 CB ALA A 102 17.333 -4.866 1.828 1.00 0.00 C ATOM 0 H ALA A 102 16.236 -6.691 0.615 1.00 0.00 H new ATOM 0 HA ALA A 102 15.337 -4.190 1.436 1.00 0.00 H new ATOM 0 HB1 ALA A 102 17.661 -3.922 2.264 1.00 0.00 H new ATOM 0 HB2 ALA A 102 17.012 -5.540 2.622 1.00 0.00 H new ATOM 0 HB3 ALA A 102 18.159 -5.319 1.280 1.00 0.00 H new ATOM 1416 N SER A 103 17.143 -4.069 -1.285 1.00 0.00 N ATOM 1417 CA SER A 103 17.527 -3.201 -2.393 1.00 0.00 C ATOM 1418 C SER A 103 16.289 -2.543 -3.003 1.00 0.00 C ATOM 1419 O SER A 103 16.297 -1.353 -3.324 1.00 0.00 O ATOM 1420 CB SER A 103 18.290 -4.008 -3.452 1.00 0.00 C ATOM 1421 OG SER A 103 18.752 -3.176 -4.504 1.00 0.00 O ATOM 0 H SER A 103 17.350 -5.057 -1.433 1.00 0.00 H new ATOM 0 HA SER A 103 18.182 -2.415 -2.018 1.00 0.00 H new ATOM 0 HB2 SER A 103 19.137 -4.513 -2.987 1.00 0.00 H new ATOM 0 HB3 SER A 103 17.641 -4.784 -3.858 1.00 0.00 H new ATOM 0 HG SER A 103 19.235 -3.718 -5.162 1.00 0.00 H new ATOM 1427 N GLU A 104 15.220 -3.320 -3.133 1.00 0.00 N ATOM 1428 CA GLU A 104 13.968 -2.825 -3.689 1.00 0.00 C ATOM 1429 C GLU A 104 13.233 -1.992 -2.648 1.00 0.00 C ATOM 1430 O GLU A 104 12.495 -1.060 -2.980 1.00 0.00 O ATOM 1431 CB GLU A 104 13.096 -3.999 -4.133 1.00 0.00 C ATOM 1432 CG GLU A 104 13.791 -4.937 -5.106 1.00 0.00 C ATOM 1433 CD GLU A 104 12.977 -6.177 -5.402 1.00 0.00 C ATOM 1434 OE1 GLU A 104 12.823 -7.019 -4.492 1.00 0.00 O ATOM 1435 OE2 GLU A 104 12.494 -6.322 -6.551 1.00 0.00 O ATOM 0 H GLU A 104 15.197 -4.302 -2.859 1.00 0.00 H new ATOM 0 HA GLU A 104 14.184 -2.199 -4.554 1.00 0.00 H new ATOM 0 HB2 GLU A 104 12.787 -4.564 -3.254 1.00 0.00 H new ATOM 0 HB3 GLU A 104 12.189 -3.612 -4.598 1.00 0.00 H new ATOM 0 HG2 GLU A 104 13.989 -4.406 -6.037 1.00 0.00 H new ATOM 0 HG3 GLU A 104 14.757 -5.231 -4.695 1.00 0.00 H new ATOM 1442 N ALA A 105 13.439 -2.343 -1.384 1.00 0.00 N ATOM 1443 CA ALA A 105 12.867 -1.602 -0.270 1.00 0.00 C ATOM 1444 C ALA A 105 13.332 -0.152 -0.304 1.00 0.00 C ATOM 1445 O ALA A 105 12.536 0.769 -0.139 1.00 0.00 O ATOM 1446 CB ALA A 105 13.243 -2.255 1.053 1.00 0.00 C ATOM 0 H ALA A 105 14.004 -3.145 -1.105 1.00 0.00 H new ATOM 0 HA ALA A 105 11.781 -1.618 -0.363 1.00 0.00 H new ATOM 0 HB1 ALA A 105 12.807 -1.688 1.875 1.00 0.00 H new ATOM 0 HB2 ALA A 105 12.864 -3.277 1.075 1.00 0.00 H new ATOM 0 HB3 ALA A 105 14.328 -2.269 1.157 1.00 0.00 H new ATOM 1452 N GLY A 106 14.621 0.045 -0.554 1.00 0.00 N ATOM 1453 CA GLY A 106 15.160 1.389 -0.690 1.00 0.00 C ATOM 1454 C GLY A 106 14.873 1.979 -2.059 1.00 0.00 C ATOM 1455 O GLY A 106 15.705 2.681 -2.633 1.00 0.00 O ATOM 0 H GLY A 106 15.306 -0.703 -0.666 1.00 0.00 H new ATOM 0 HA2 GLY A 106 14.731 2.031 0.079 1.00 0.00 H new ATOM 0 HA3 GLY A 106 16.237 1.367 -0.523 1.00 0.00 H new ATOM 1459 N ASN A 107 13.689 1.688 -2.578 1.00 0.00 N ATOM 1460 CA ASN A 107 13.268 2.160 -3.891 1.00 0.00 C ATOM 1461 C ASN A 107 11.773 2.452 -3.879 1.00 0.00 C ATOM 1462 O ASN A 107 11.337 3.527 -4.291 1.00 0.00 O ATOM 1463 CB ASN A 107 13.598 1.115 -4.966 1.00 0.00 C ATOM 1464 CG ASN A 107 13.012 1.457 -6.326 1.00 0.00 C ATOM 1465 OD1 ASN A 107 13.631 2.162 -7.125 1.00 0.00 O ATOM 1466 ND2 ASN A 107 11.820 0.942 -6.609 1.00 0.00 N ATOM 0 H ASN A 107 12.991 1.117 -2.101 1.00 0.00 H new ATOM 0 HA ASN A 107 13.807 3.078 -4.126 1.00 0.00 H new ATOM 0 HB2 ASN A 107 14.680 1.023 -5.056 1.00 0.00 H new ATOM 0 HB3 ASN A 107 13.221 0.143 -4.648 1.00 0.00 H new ATOM 0 HD21 ASN A 107 11.387 1.126 -7.514 1.00 0.00 H new ATOM 0 HD22 ASN A 107 11.338 0.363 -5.921 1.00 0.00 H new ATOM 1473 N TYR A 108 10.997 1.490 -3.388 1.00 0.00 N ATOM 1474 CA TYR A 108 9.548 1.636 -3.308 1.00 0.00 C ATOM 1475 C TYR A 108 9.167 2.715 -2.292 1.00 0.00 C ATOM 1476 O TYR A 108 9.569 2.657 -1.129 1.00 0.00 O ATOM 1477 CB TYR A 108 8.897 0.307 -2.924 1.00 0.00 C ATOM 1478 CG TYR A 108 9.174 -0.834 -3.886 1.00 0.00 C ATOM 1479 CD1 TYR A 108 8.986 -0.693 -5.257 1.00 0.00 C ATOM 1480 CD2 TYR A 108 9.598 -2.066 -3.414 1.00 0.00 C ATOM 1481 CE1 TYR A 108 9.214 -1.747 -6.122 1.00 0.00 C ATOM 1482 CE2 TYR A 108 9.832 -3.120 -4.271 1.00 0.00 C ATOM 1483 CZ TYR A 108 9.637 -2.959 -5.624 1.00 0.00 C ATOM 1484 OH TYR A 108 9.862 -4.016 -6.478 1.00 0.00 O ATOM 0 H TYR A 108 11.349 0.599 -3.039 1.00 0.00 H new ATOM 0 HA TYR A 108 9.184 1.938 -4.290 1.00 0.00 H new ATOM 0 HB2 TYR A 108 9.245 0.021 -1.932 1.00 0.00 H new ATOM 0 HB3 TYR A 108 7.819 0.452 -2.854 1.00 0.00 H new ATOM 0 HD1 TYR A 108 8.656 0.256 -5.653 1.00 0.00 H new ATOM 0 HD2 TYR A 108 9.748 -2.203 -2.353 1.00 0.00 H new ATOM 0 HE1 TYR A 108 9.061 -1.620 -7.184 1.00 0.00 H new ATOM 0 HE2 TYR A 108 10.168 -4.070 -3.882 1.00 0.00 H new ATOM 0 HH TYR A 108 10.744 -4.402 -6.295 1.00 0.00 H new ATOM 1494 N ASN A 109 8.373 3.685 -2.731 1.00 0.00 N ATOM 1495 CA ASN A 109 8.059 4.863 -1.916 1.00 0.00 C ATOM 1496 C ASN A 109 6.897 4.578 -0.969 1.00 0.00 C ATOM 1497 O ASN A 109 5.803 4.244 -1.404 1.00 0.00 O ATOM 1498 CB ASN A 109 7.700 6.066 -2.806 1.00 0.00 C ATOM 1499 CG ASN A 109 8.673 6.274 -3.952 1.00 0.00 C ATOM 1500 OD1 ASN A 109 8.517 5.689 -5.022 1.00 0.00 O ATOM 1501 ND2 ASN A 109 9.665 7.128 -3.754 1.00 0.00 N ATOM 0 H ASN A 109 7.931 3.683 -3.650 1.00 0.00 H new ATOM 0 HA ASN A 109 8.948 5.100 -1.331 1.00 0.00 H new ATOM 0 HB2 ASN A 109 6.698 5.924 -3.210 1.00 0.00 H new ATOM 0 HB3 ASN A 109 7.672 6.967 -2.194 1.00 0.00 H new ATOM 0 HD21 ASN A 109 10.331 7.319 -4.503 1.00 0.00 H new ATOM 0 HD22 ASN A 109 9.763 7.595 -2.853 1.00 0.00 H new ATOM 1508 N TYR A 110 7.129 4.717 0.326 1.00 0.00 N ATOM 1509 CA TYR A 110 6.063 4.533 1.296 1.00 0.00 C ATOM 1510 C TYR A 110 5.650 5.887 1.855 1.00 0.00 C ATOM 1511 O TYR A 110 6.449 6.827 1.854 1.00 0.00 O ATOM 1512 CB TYR A 110 6.492 3.567 2.415 1.00 0.00 C ATOM 1513 CG TYR A 110 7.518 4.090 3.406 1.00 0.00 C ATOM 1514 CD1 TYR A 110 8.404 5.107 3.085 1.00 0.00 C ATOM 1515 CD2 TYR A 110 7.591 3.548 4.680 1.00 0.00 C ATOM 1516 CE1 TYR A 110 9.323 5.569 4.001 1.00 0.00 C ATOM 1517 CE2 TYR A 110 8.509 4.005 5.603 1.00 0.00 C ATOM 1518 CZ TYR A 110 9.373 5.017 5.257 1.00 0.00 C ATOM 1519 OH TYR A 110 10.290 5.482 6.172 1.00 0.00 O ATOM 0 H TYR A 110 8.036 4.954 0.727 1.00 0.00 H new ATOM 0 HA TYR A 110 5.203 4.082 0.801 1.00 0.00 H new ATOM 0 HB2 TYR A 110 5.602 3.271 2.970 1.00 0.00 H new ATOM 0 HB3 TYR A 110 6.893 2.666 1.952 1.00 0.00 H new ATOM 0 HD1 TYR A 110 8.373 5.545 2.098 1.00 0.00 H new ATOM 0 HD2 TYR A 110 6.915 2.752 4.956 1.00 0.00 H new ATOM 0 HE1 TYR A 110 10.003 6.364 3.732 1.00 0.00 H new ATOM 0 HE2 TYR A 110 8.549 3.571 6.591 1.00 0.00 H new ATOM 0 HH TYR A 110 10.194 4.987 7.012 1.00 0.00 H new ATOM 1529 N ILE A 111 4.416 6.005 2.314 1.00 0.00 N ATOM 1530 CA ILE A 111 3.924 7.283 2.785 1.00 0.00 C ATOM 1531 C ILE A 111 3.725 7.269 4.297 1.00 0.00 C ATOM 1532 O ILE A 111 2.961 6.472 4.840 1.00 0.00 O ATOM 1533 CB ILE A 111 2.644 7.701 2.030 1.00 0.00 C ATOM 1534 CG1 ILE A 111 1.508 6.693 2.230 1.00 0.00 C ATOM 1535 CG2 ILE A 111 2.972 7.826 0.548 1.00 0.00 C ATOM 1536 CD1 ILE A 111 0.258 7.024 1.441 1.00 0.00 C ATOM 0 H ILE A 111 3.745 5.239 2.370 1.00 0.00 H new ATOM 0 HA ILE A 111 4.679 8.039 2.569 1.00 0.00 H new ATOM 0 HB ILE A 111 2.302 8.656 2.429 1.00 0.00 H new ATOM 0 HG12 ILE A 111 1.858 5.702 1.941 1.00 0.00 H new ATOM 0 HG13 ILE A 111 1.257 6.646 3.290 1.00 0.00 H new ATOM 0 HG21 ILE A 111 2.077 8.121 0.001 1.00 0.00 H new ATOM 0 HG22 ILE A 111 3.747 8.580 0.409 1.00 0.00 H new ATOM 0 HG23 ILE A 111 3.327 6.867 0.172 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -0.503 6.268 1.632 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -0.117 8.001 1.746 1.00 0.00 H new ATOM 0 HD13 ILE A 111 0.493 7.042 0.377 1.00 0.00 H new ATOM 1548 N HIS A 112 4.468 8.136 4.963 1.00 0.00 N ATOM 1549 CA HIS A 112 4.518 8.177 6.417 1.00 0.00 C ATOM 1550 C HIS A 112 3.586 9.233 6.982 1.00 0.00 C ATOM 1551 O HIS A 112 3.425 10.307 6.401 1.00 0.00 O ATOM 1552 CB HIS A 112 5.941 8.497 6.867 1.00 0.00 C ATOM 1553 CG HIS A 112 6.576 7.433 7.701 1.00 0.00 C ATOM 1554 ND1 HIS A 112 6.545 7.433 9.076 1.00 0.00 N ATOM 1555 CD2 HIS A 112 7.291 6.347 7.341 1.00 0.00 C ATOM 1556 CE1 HIS A 112 7.210 6.388 9.526 1.00 0.00 C ATOM 1557 NE2 HIS A 112 7.676 5.711 8.496 1.00 0.00 N ATOM 0 H HIS A 112 5.057 8.835 4.510 1.00 0.00 H new ATOM 0 HA HIS A 112 4.202 7.201 6.786 1.00 0.00 H new ATOM 0 HB2 HIS A 112 6.559 8.668 5.985 1.00 0.00 H new ATOM 0 HB3 HIS A 112 5.930 9.428 7.434 1.00 0.00 H new ATOM 0 HD2 HIS A 112 7.518 6.036 6.332 1.00 0.00 H new ATOM 0 HE1 HIS A 112 7.350 6.130 10.565 1.00 0.00 H new ATOM 0 HE2 HIS A 112 8.231 4.856 8.548 1.00 0.00 H new ATOM 1566 N ILE A 113 2.993 8.925 8.123 1.00 0.00 N ATOM 1567 CA ILE A 113 2.185 9.889 8.851 1.00 0.00 C ATOM 1568 C ILE A 113 3.087 10.719 9.760 1.00 0.00 C ATOM 1569 O ILE A 113 3.631 11.742 9.295 1.00 0.00 O ATOM 1570 CB ILE A 113 1.114 9.189 9.713 1.00 0.00 C ATOM 1571 CG1 ILE A 113 0.389 8.118 8.899 1.00 0.00 C ATOM 1572 CG2 ILE A 113 0.118 10.207 10.249 1.00 0.00 C ATOM 1573 CD1 ILE A 113 -0.538 7.256 9.729 1.00 0.00 C ATOM 1574 OXT ILE A 113 3.284 10.322 10.928 1.00 0.00 O ATOM 0 H ILE A 113 3.057 8.009 8.567 1.00 0.00 H new ATOM 0 HA ILE A 113 1.681 10.526 8.124 1.00 0.00 H new ATOM 0 HB ILE A 113 1.610 8.708 10.556 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -0.186 8.600 8.109 1.00 0.00 H new ATOM 0 HG13 ILE A 113 1.127 7.480 8.412 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -0.632 9.698 10.855 1.00 0.00 H new ATOM 0 HG22 ILE A 113 0.642 10.941 10.861 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -0.371 10.711 9.416 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.019 6.518 9.088 1.00 0.00 H new ATOM 0 HD12 ILE A 113 0.035 6.746 10.503 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -1.298 7.883 10.195 1.00 0.00 H new TER 1586 ILE A 113