USER MOD reduce.3.24.130724 H: found=0, std=0, add=983, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 982 hydrogens (32 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 53 HIS HE2 : A 53 HIS NE2 : A 125 HECFE :(H bumps) USER MOD NoAdj-H: A 95 HIS HE2 : A 95 HIS NE2 : A 125 HECFE :(H bumps) USER MOD NoAdj-H: A 125 HEC HAC : A 125 HEC CAC : A 52 CYS SG :(H bumps) USER MOD NoAdj-H: A 125 HEC HAB : A 125 HEC CAB : A 49 CYS SG :(H bumps) USER MOD Set 1.1: A 105 SER OG : rot -120:sc= -1.45! USER MOD Set 1.2: A 107 SER OG : rot 180:sc= -0.0798 USER MOD Set 2.1: A 56 ASN : amide:sc= -0.491 K(o=-0.49,f=-2.1!) USER MOD Set 2.2: A 123 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 41 THR OG1 : rot -78:sc= 0.385 USER MOD Set 3.2: A 43 SER OG : rot 67:sc= 1.14 USER MOD Set 4.1: A 20 ASN : amide:sc= -6! X(o=-7.1!,f=-7.4) USER MOD Set 4.2: A 22 MET CE :methyl -134:sc= -1.08 (180deg=0) USER MOD Single : A 1 ASP N :NH3+ -166:sc= 0 (180deg=-0.188) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= -1.63! X(o=-1.6!,f=-1.6) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot -15:sc= -1.31 USER MOD Single : A 13 THR OG1 : rot 111:sc= 0.947 USER MOD Single : A 14 ASN : amide:sc=-0.00672 X(o=-0.0067,f=0) USER MOD Single : A 17 HIS : no HD1:sc= -2.73! C(o=-2.7!,f=-5.4!) USER MOD Single : A 18 SER OG : rot -30:sc= 0.0446 USER MOD Single : A 23 TYR OH : rot 180:sc= -0.345 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 76:sc= 1.26 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -2.73! C(o=-2.7!,f=-4.7!) USER MOD Single : A 38 LYS NZ :NH3+ 147:sc= -0.137 (180deg=-0.815) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 43:sc= -1.31! USER MOD Single : A 55 ASN : amide:sc= -0.541 K(o=-0.54,f=-2) USER MOD Single : A 59 ASN : amide:sc= 0.755 K(o=0.75,f=-7!) USER MOD Single : A 62 LYS NZ :NH3+ 142:sc= -0.0344 (180deg=-0.396) USER MOD Single : A 63 ASN : amide:sc= -9.44! C(o=-9.4!,f=-13!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.00434 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -1.39! C(o=-1.4!,f=-7.1!) USER MOD Single : A 79 THR OG1 : rot 51:sc= 0.11 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot -150:sc= -2.07! USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -0.867 K(o=-0.87,f=-2.4!) USER MOD Single : A 109 LYS NZ :NH3+ 159:sc= -0.326 (180deg=-1.4) USER MOD Single : A 111 ASN : amide:sc= -5.01 K(o=-5,f=-4!) USER MOD Single : A 115 TYR OH : rot 165:sc= -1.52 USER MOD Single : A 118 THR OG1 : rot 83:sc= 0.583 USER MOD Single : A 120 THR OG1 : rot 180:sc=-0.00158 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 HEC O2A : rot -168:sc= -5.84! USER MOD Single : A 125 HEC O2D : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -8.465 1.082 15.745 1.00 0.00 N ATOM 2 CA ASP A 1 -7.535 0.897 14.645 1.00 0.00 C ATOM 3 C ASP A 1 -6.347 0.059 15.123 1.00 0.00 C ATOM 4 O ASP A 1 -6.170 -0.146 16.323 1.00 0.00 O ATOM 5 CB ASP A 1 -6.996 2.239 14.147 1.00 0.00 C ATOM 6 CG ASP A 1 -7.973 3.411 14.263 1.00 0.00 C ATOM 7 OD1 ASP A 1 -8.820 3.536 13.352 1.00 0.00 O ATOM 8 OD2 ASP A 1 -7.851 4.155 15.260 1.00 0.00 O ATOM 0 H1 ASP A 1 -9.371 1.438 15.378 1.00 0.00 H new ATOM 0 H2 ASP A 1 -8.619 0.173 16.226 1.00 0.00 H new ATOM 0 H3 ASP A 1 -8.072 1.768 16.420 1.00 0.00 H new ATOM 0 HA ASP A 1 -8.067 0.399 13.834 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -6.093 2.481 14.707 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -6.704 2.131 13.102 1.00 0.00 H new ATOM 15 N VAL A 2 -5.563 -0.402 14.160 1.00 0.00 N ATOM 16 CA VAL A 2 -4.397 -1.213 14.467 1.00 0.00 C ATOM 17 C VAL A 2 -4.813 -2.682 14.563 1.00 0.00 C ATOM 18 O VAL A 2 -4.084 -3.568 14.119 1.00 0.00 O ATOM 19 CB VAL A 2 -3.723 -0.698 15.741 1.00 0.00 C ATOM 20 CG1 VAL A 2 -2.286 -1.212 15.847 1.00 0.00 C ATOM 21 CG2 VAL A 2 -3.765 0.830 15.805 1.00 0.00 C ATOM 0 H VAL A 2 -5.712 -0.229 13.166 1.00 0.00 H new ATOM 0 HA VAL A 2 -3.658 -1.136 13.670 1.00 0.00 H new ATOM 0 HB VAL A 2 -4.281 -1.084 16.594 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -1.830 -0.831 16.761 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -2.290 -2.302 15.870 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.713 -0.870 14.986 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -3.279 1.169 16.720 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.244 1.245 14.942 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.802 1.166 15.798 1.00 0.00 H new ATOM 31 N THR A 3 -5.984 -2.895 15.146 1.00 0.00 N ATOM 32 CA THR A 3 -6.506 -4.242 15.305 1.00 0.00 C ATOM 33 C THR A 3 -6.614 -4.937 13.946 1.00 0.00 C ATOM 34 O THR A 3 -6.741 -6.158 13.878 1.00 0.00 O ATOM 35 CB THR A 3 -7.840 -4.147 16.047 1.00 0.00 C ATOM 36 OG1 THR A 3 -7.468 -3.970 17.411 1.00 0.00 O ATOM 37 CG2 THR A 3 -8.610 -5.469 16.040 1.00 0.00 C ATOM 0 H THR A 3 -6.586 -2.158 15.514 1.00 0.00 H new ATOM 0 HA THR A 3 -5.831 -4.860 15.897 1.00 0.00 H new ATOM 0 HB THR A 3 -8.452 -3.368 15.593 1.00 0.00 H new ATOM 0 HG1 THR A 3 -8.274 -3.897 17.963 1.00 0.00 H new ATOM 0 HG21 THR A 3 -9.549 -5.346 16.580 1.00 0.00 H new ATOM 0 HG22 THR A 3 -8.819 -5.763 15.011 1.00 0.00 H new ATOM 0 HG23 THR A 3 -8.012 -6.241 16.524 1.00 0.00 H new ATOM 45 N ASN A 4 -6.560 -4.128 12.898 1.00 0.00 N ATOM 46 CA ASN A 4 -6.651 -4.649 11.545 1.00 0.00 C ATOM 47 C ASN A 4 -5.268 -4.602 10.892 1.00 0.00 C ATOM 48 O ASN A 4 -4.674 -5.643 10.612 1.00 0.00 O ATOM 49 CB ASN A 4 -7.605 -3.809 10.694 1.00 0.00 C ATOM 50 CG ASN A 4 -7.945 -2.490 11.391 1.00 0.00 C ATOM 51 OD1 ASN A 4 -7.543 -1.416 10.976 1.00 0.00 O ATOM 52 ND2 ASN A 4 -8.707 -2.631 12.472 1.00 0.00 N ATOM 0 H ASN A 4 -6.454 -3.115 12.959 1.00 0.00 H new ATOM 0 HA ASN A 4 -7.024 -5.671 11.601 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -7.150 -3.605 9.725 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -8.520 -4.371 10.505 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -8.989 -1.810 13.008 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -9.009 -3.560 12.765 1.00 0.00 H new ATOM 59 N ALA A 5 -4.796 -3.385 10.667 1.00 0.00 N ATOM 60 CA ALA A 5 -3.494 -3.189 10.052 1.00 0.00 C ATOM 61 C ALA A 5 -2.491 -4.165 10.670 1.00 0.00 C ATOM 62 O ALA A 5 -1.570 -4.624 9.995 1.00 0.00 O ATOM 63 CB ALA A 5 -3.066 -1.730 10.217 1.00 0.00 C ATOM 0 H ALA A 5 -5.292 -2.524 10.899 1.00 0.00 H new ATOM 0 HA ALA A 5 -3.539 -3.396 8.983 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -2.089 -1.583 9.756 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -3.796 -1.080 9.735 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -3.007 -1.486 11.278 1.00 0.00 H new ATOM 69 N GLU A 6 -2.702 -4.452 11.946 1.00 0.00 N ATOM 70 CA GLU A 6 -1.827 -5.365 12.662 1.00 0.00 C ATOM 71 C GLU A 6 -2.023 -6.795 12.155 1.00 0.00 C ATOM 72 O GLU A 6 -1.051 -7.514 11.923 1.00 0.00 O ATOM 73 CB GLU A 6 -2.065 -5.281 14.171 1.00 0.00 C ATOM 74 CG GLU A 6 -1.155 -6.253 14.924 1.00 0.00 C ATOM 75 CD GLU A 6 0.294 -6.129 14.448 1.00 0.00 C ATOM 76 OE1 GLU A 6 0.758 -4.973 14.338 1.00 0.00 O ATOM 77 OE2 GLU A 6 0.905 -7.192 14.204 1.00 0.00 O ATOM 0 H GLU A 6 -3.466 -4.069 12.503 1.00 0.00 H new ATOM 0 HA GLU A 6 -0.794 -5.072 12.473 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -1.881 -4.263 14.516 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -3.108 -5.508 14.392 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -1.208 -6.052 15.994 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -1.505 -7.274 14.774 1.00 0.00 H new ATOM 84 N LYS A 7 -3.285 -7.166 11.997 1.00 0.00 N ATOM 85 CA LYS A 7 -3.620 -8.497 11.521 1.00 0.00 C ATOM 86 C LYS A 7 -2.965 -8.727 10.158 1.00 0.00 C ATOM 87 O LYS A 7 -2.348 -9.766 9.929 1.00 0.00 O ATOM 88 CB LYS A 7 -5.137 -8.699 11.516 1.00 0.00 C ATOM 89 CG LYS A 7 -5.494 -10.172 11.307 1.00 0.00 C ATOM 90 CD LYS A 7 -5.695 -10.883 12.646 1.00 0.00 C ATOM 91 CE LYS A 7 -6.976 -11.721 12.634 1.00 0.00 C ATOM 92 NZ LYS A 7 -6.680 -13.124 13.001 1.00 0.00 N ATOM 0 H LYS A 7 -4.088 -6.568 12.190 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.223 -9.254 12.198 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.557 -8.350 12.459 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.585 -8.097 10.725 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -6.403 -10.248 10.711 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.701 -10.666 10.745 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.838 -11.524 12.854 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.745 -10.147 13.449 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.699 -11.301 13.333 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.431 -11.686 11.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.559 -13.679 12.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -6.006 -13.527 12.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.266 -13.153 13.955 1.00 0.00 H new ATOM 106 N LEU A 8 -3.121 -7.740 9.288 1.00 0.00 N ATOM 107 CA LEU A 8 -2.553 -7.821 7.953 1.00 0.00 C ATOM 108 C LEU A 8 -1.053 -8.106 8.059 1.00 0.00 C ATOM 109 O LEU A 8 -0.554 -9.054 7.455 1.00 0.00 O ATOM 110 CB LEU A 8 -2.884 -6.561 7.152 1.00 0.00 C ATOM 111 CG LEU A 8 -4.351 -6.387 6.751 1.00 0.00 C ATOM 112 CD1 LEU A 8 -4.478 -5.507 5.506 1.00 0.00 C ATOM 113 CD2 LEU A 8 -5.033 -7.744 6.567 1.00 0.00 C ATOM 0 H LEU A 8 -3.633 -6.879 9.482 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.998 -8.648 7.399 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.583 -5.693 7.738 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.278 -6.561 6.246 1.00 0.00 H new ATOM 0 HG LEU A 8 -4.869 -5.874 7.561 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.530 -5.399 5.242 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -4.053 -4.524 5.710 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.942 -5.969 4.677 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.074 -7.592 6.282 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.521 -8.305 5.785 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.990 -8.302 7.502 1.00 0.00 H new ATOM 125 N VAL A 9 -0.377 -7.268 8.830 1.00 0.00 N ATOM 126 CA VAL A 9 1.055 -7.418 9.023 1.00 0.00 C ATOM 127 C VAL A 9 1.354 -8.836 9.512 1.00 0.00 C ATOM 128 O VAL A 9 2.173 -9.561 8.951 1.00 0.00 O ATOM 129 CB VAL A 9 1.571 -6.336 9.975 1.00 0.00 C ATOM 130 CG1 VAL A 9 3.085 -6.451 10.165 1.00 0.00 C ATOM 131 CG2 VAL A 9 1.184 -4.941 9.481 1.00 0.00 C ATOM 0 H VAL A 9 -0.795 -6.482 9.329 1.00 0.00 H new ATOM 0 HA VAL A 9 1.584 -7.281 8.080 1.00 0.00 H new ATOM 0 HB VAL A 9 1.099 -6.490 10.945 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.427 -5.671 10.846 1.00 0.00 H new ATOM 0 HG12 VAL A 9 3.326 -7.428 10.583 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.582 -6.336 9.202 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.563 -4.191 10.175 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.615 -4.772 8.494 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.098 -4.864 9.421 1.00 0.00 H new ATOM 141 N TYR A 10 0.662 -9.220 10.586 1.00 0.00 N ATOM 142 CA TYR A 10 0.831 -10.535 11.173 1.00 0.00 C ATOM 143 C TYR A 10 0.225 -11.590 10.259 1.00 0.00 C ATOM 144 O TYR A 10 0.320 -12.775 10.574 1.00 0.00 O ATOM 145 CB TYR A 10 0.169 -10.565 12.548 1.00 0.00 C ATOM 146 CG TYR A 10 0.616 -11.723 13.407 1.00 0.00 C ATOM 147 CD1 TYR A 10 1.727 -11.584 14.247 1.00 0.00 C ATOM 148 CD2 TYR A 10 -0.080 -12.937 13.363 1.00 0.00 C ATOM 149 CE1 TYR A 10 2.142 -12.658 15.043 1.00 0.00 C ATOM 150 CE2 TYR A 10 0.335 -14.012 14.158 1.00 0.00 C ATOM 151 CZ TYR A 10 1.446 -13.872 14.999 1.00 0.00 C ATOM 152 OH TYR A 10 1.850 -14.919 15.774 1.00 0.00 O ATOM 0 H TYR A 10 -0.021 -8.631 11.063 1.00 0.00 H new ATOM 0 HA TYR A 10 1.893 -10.752 11.290 1.00 0.00 H new ATOM 0 HB2 TYR A 10 0.387 -9.632 13.068 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -0.912 -10.614 12.421 1.00 0.00 H new ATOM 0 HD1 TYR A 10 2.264 -10.648 14.281 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -0.938 -13.044 12.715 1.00 0.00 H new ATOM 0 HE1 TYR A 10 2.999 -12.550 15.691 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.201 -14.949 14.123 1.00 0.00 H new ATOM 0 HH TYR A 10 1.258 -15.685 15.624 1.00 0.00 H new ATOM 162 N LYS A 11 -0.377 -11.151 9.163 1.00 0.00 N ATOM 163 CA LYS A 11 -0.988 -12.076 8.224 1.00 0.00 C ATOM 164 C LYS A 11 -0.057 -12.268 7.025 1.00 0.00 C ATOM 165 O LYS A 11 0.580 -13.305 6.853 1.00 0.00 O ATOM 166 CB LYS A 11 -2.392 -11.602 7.842 1.00 0.00 C ATOM 167 CG LYS A 11 -3.442 -12.171 8.798 1.00 0.00 C ATOM 168 CD LYS A 11 -3.853 -13.585 8.383 1.00 0.00 C ATOM 169 CE LYS A 11 -5.089 -14.047 9.157 1.00 0.00 C ATOM 170 NZ LYS A 11 -5.284 -15.505 9.001 1.00 0.00 N ATOM 0 H LYS A 11 -0.454 -10.167 8.905 1.00 0.00 H new ATOM 0 HA LYS A 11 -1.121 -13.055 8.685 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.430 -10.513 7.861 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.619 -11.911 6.822 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -3.044 -12.187 9.813 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -4.318 -11.522 8.809 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.060 -13.608 7.313 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.028 -14.275 8.563 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.977 -13.800 10.213 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.970 -13.516 8.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.127 -15.801 9.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.412 -15.732 7.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.450 -16.008 9.366 1.00 0.00 H new ATOM 184 N TYR A 12 0.008 -11.230 6.189 1.00 0.00 N ATOM 185 CA TYR A 12 0.843 -11.255 5.005 1.00 0.00 C ATOM 186 C TYR A 12 2.253 -11.690 5.377 1.00 0.00 C ATOM 187 O TYR A 12 2.980 -12.163 4.504 1.00 0.00 O ATOM 188 CB TYR A 12 0.857 -9.869 4.365 1.00 0.00 C ATOM 189 CG TYR A 12 -0.470 -9.471 3.763 1.00 0.00 C ATOM 190 CD1 TYR A 12 -0.812 -9.901 2.476 1.00 0.00 C ATOM 191 CD2 TYR A 12 -1.357 -8.670 4.493 1.00 0.00 C ATOM 192 CE1 TYR A 12 -2.042 -9.532 1.918 1.00 0.00 C ATOM 193 CE2 TYR A 12 -2.587 -8.301 3.935 1.00 0.00 C ATOM 194 CZ TYR A 12 -2.929 -8.732 2.648 1.00 0.00 C ATOM 195 OH TYR A 12 -4.128 -8.373 2.104 1.00 0.00 O ATOM 0 H TYR A 12 -0.513 -10.362 6.318 1.00 0.00 H new ATOM 0 HA TYR A 12 0.441 -11.970 4.287 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.141 -9.133 5.117 1.00 0.00 H new ATOM 0 HB3 TYR A 12 1.622 -9.843 3.589 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -0.127 -10.518 1.913 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -1.092 -8.337 5.486 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -2.306 -9.864 0.925 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -3.272 -7.684 4.498 1.00 0.00 H new ATOM 0 HH TYR A 12 -4.113 -8.543 1.139 1.00 0.00 H new ATOM 205 N THR A 13 2.610 -11.528 6.643 1.00 0.00 N ATOM 206 CA THR A 13 3.934 -11.912 7.103 1.00 0.00 C ATOM 207 C THR A 13 4.026 -13.431 7.254 1.00 0.00 C ATOM 208 O THR A 13 5.000 -14.044 6.820 1.00 0.00 O ATOM 209 CB THR A 13 4.222 -11.153 8.400 1.00 0.00 C ATOM 210 OG1 THR A 13 4.338 -9.794 7.988 1.00 0.00 O ATOM 211 CG2 THR A 13 5.600 -11.485 8.978 1.00 0.00 C ATOM 0 H THR A 13 2.005 -11.136 7.365 1.00 0.00 H new ATOM 0 HA THR A 13 4.700 -11.643 6.375 1.00 0.00 H new ATOM 0 HB THR A 13 3.453 -11.387 9.136 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.572 -9.284 8.324 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.755 -10.920 9.897 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.657 -12.552 9.194 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.371 -11.219 8.255 1.00 0.00 H new ATOM 219 N ASN A 14 2.999 -13.996 7.872 1.00 0.00 N ATOM 220 CA ASN A 14 2.951 -15.432 8.086 1.00 0.00 C ATOM 221 C ASN A 14 2.972 -16.146 6.733 1.00 0.00 C ATOM 222 O ASN A 14 3.778 -17.050 6.517 1.00 0.00 O ATOM 223 CB ASN A 14 1.669 -15.838 8.816 1.00 0.00 C ATOM 224 CG ASN A 14 1.898 -15.911 10.327 1.00 0.00 C ATOM 225 OD1 ASN A 14 2.437 -15.007 10.943 1.00 0.00 O ATOM 226 ND2 ASN A 14 1.458 -17.034 10.887 1.00 0.00 N ATOM 0 H ASN A 14 2.193 -13.484 8.232 1.00 0.00 H new ATOM 0 HA ASN A 14 3.814 -15.712 8.691 1.00 0.00 H new ATOM 0 HB2 ASN A 14 0.879 -15.119 8.599 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.328 -16.806 8.449 1.00 0.00 H new ATOM 0 HD21 ASN A 14 1.563 -17.178 11.891 1.00 0.00 H new ATOM 0 HD22 ASN A 14 1.015 -17.751 10.312 1.00 0.00 H new ATOM 233 N ILE A 15 2.076 -15.714 5.858 1.00 0.00 N ATOM 234 CA ILE A 15 1.982 -16.301 4.532 1.00 0.00 C ATOM 235 C ILE A 15 3.356 -16.256 3.860 1.00 0.00 C ATOM 236 O ILE A 15 3.800 -17.246 3.282 1.00 0.00 O ATOM 237 CB ILE A 15 0.878 -15.618 3.722 1.00 0.00 C ATOM 238 CG1 ILE A 15 -0.499 -16.169 4.097 1.00 0.00 C ATOM 239 CG2 ILE A 15 1.151 -15.731 2.220 1.00 0.00 C ATOM 240 CD1 ILE A 15 -1.546 -15.053 4.128 1.00 0.00 C ATOM 0 H ILE A 15 1.409 -14.965 6.041 1.00 0.00 H new ATOM 0 HA ILE A 15 1.694 -17.350 4.599 1.00 0.00 H new ATOM 0 HB ILE A 15 0.878 -14.557 3.971 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.797 -16.933 3.379 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.448 -16.652 5.073 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.352 -15.238 1.667 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.103 -15.253 1.986 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.193 -16.782 1.936 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.516 -15.471 4.397 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.257 -14.303 4.865 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.612 -14.588 3.144 1.00 0.00 H new ATOM 252 N ALA A 16 3.990 -15.096 3.958 1.00 0.00 N ATOM 253 CA ALA A 16 5.304 -14.910 3.367 1.00 0.00 C ATOM 254 C ALA A 16 6.290 -15.889 4.006 1.00 0.00 C ATOM 255 O ALA A 16 7.126 -16.472 3.318 1.00 0.00 O ATOM 256 CB ALA A 16 5.738 -13.452 3.537 1.00 0.00 C ATOM 0 H ALA A 16 3.618 -14.276 4.438 1.00 0.00 H new ATOM 0 HA ALA A 16 5.277 -15.121 2.298 1.00 0.00 H new ATOM 0 HB1 ALA A 16 6.724 -13.312 3.094 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.021 -12.799 3.040 1.00 0.00 H new ATOM 0 HB3 ALA A 16 5.779 -13.206 4.598 1.00 0.00 H new ATOM 262 N HIS A 17 6.159 -16.041 5.316 1.00 0.00 N ATOM 263 CA HIS A 17 7.027 -16.941 6.056 1.00 0.00 C ATOM 264 C HIS A 17 6.673 -18.390 5.719 1.00 0.00 C ATOM 265 O HIS A 17 7.538 -19.264 5.731 1.00 0.00 O ATOM 266 CB HIS A 17 6.962 -16.647 7.556 1.00 0.00 C ATOM 267 CG HIS A 17 8.182 -17.098 8.324 1.00 0.00 C ATOM 268 ND1 HIS A 17 9.473 -16.820 7.910 1.00 0.00 N ATOM 269 CD2 HIS A 17 8.294 -17.807 9.483 1.00 0.00 C ATOM 270 CE1 HIS A 17 10.316 -17.345 8.787 1.00 0.00 C ATOM 271 NE2 HIS A 17 9.583 -17.956 9.762 1.00 0.00 N ATOM 0 H HIS A 17 5.464 -15.556 5.884 1.00 0.00 H new ATOM 0 HA HIS A 17 8.063 -16.779 5.758 1.00 0.00 H new ATOM 0 HB2 HIS A 17 6.830 -15.575 7.700 1.00 0.00 H new ATOM 0 HB3 HIS A 17 6.081 -17.135 7.974 1.00 0.00 H new ATOM 0 HD2 HIS A 17 7.473 -18.184 10.074 1.00 0.00 H new ATOM 0 HE1 HIS A 17 11.394 -17.298 8.739 1.00 0.00 H new ATOM 0 HE2 HIS A 17 9.963 -18.446 10.572 1.00 0.00 H new ATOM 279 N SER A 18 5.398 -18.601 5.427 1.00 0.00 N ATOM 280 CA SER A 18 4.917 -19.929 5.087 1.00 0.00 C ATOM 281 C SER A 18 5.439 -20.338 3.708 1.00 0.00 C ATOM 282 O SER A 18 5.415 -21.516 3.355 1.00 0.00 O ATOM 283 CB SER A 18 3.388 -19.986 5.114 1.00 0.00 C ATOM 284 OG SER A 18 2.899 -21.305 4.886 1.00 0.00 O ATOM 0 H SER A 18 4.683 -17.874 5.419 1.00 0.00 H new ATOM 0 HA SER A 18 5.293 -20.629 5.833 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.029 -19.628 6.079 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.987 -19.314 4.355 1.00 0.00 H new ATOM 0 HG SER A 18 3.528 -21.793 4.314 1.00 0.00 H new ATOM 290 N ALA A 19 5.899 -19.341 2.966 1.00 0.00 N ATOM 291 CA ALA A 19 6.425 -19.582 1.633 1.00 0.00 C ATOM 292 C ALA A 19 7.955 -19.564 1.683 1.00 0.00 C ATOM 293 O ALA A 19 8.613 -20.257 0.909 1.00 0.00 O ATOM 294 CB ALA A 19 5.861 -18.540 0.665 1.00 0.00 C ATOM 0 H ALA A 19 5.918 -18.365 3.262 1.00 0.00 H new ATOM 0 HA ALA A 19 6.118 -20.563 1.270 1.00 0.00 H new ATOM 0 HB1 ALA A 19 6.256 -18.721 -0.335 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.774 -18.613 0.645 1.00 0.00 H new ATOM 0 HB3 ALA A 19 6.151 -17.542 0.995 1.00 0.00 H new ATOM 300 N ASN A 20 8.475 -18.763 2.601 1.00 0.00 N ATOM 301 CA ASN A 20 9.915 -18.645 2.762 1.00 0.00 C ATOM 302 C ASN A 20 10.249 -18.527 4.250 1.00 0.00 C ATOM 303 O ASN A 20 9.909 -17.554 4.920 1.00 0.00 O ATOM 304 CB ASN A 20 10.448 -17.397 2.056 1.00 0.00 C ATOM 305 CG ASN A 20 11.697 -17.722 1.235 1.00 0.00 C ATOM 306 OD1 ASN A 20 11.797 -17.412 0.060 1.00 0.00 O ATOM 307 ND2 ASN A 20 12.642 -18.361 1.919 1.00 0.00 N ATOM 0 H ASN A 20 7.926 -18.189 3.241 1.00 0.00 H new ATOM 0 HA ASN A 20 10.377 -19.530 2.325 1.00 0.00 H new ATOM 0 HB2 ASN A 20 9.677 -16.986 1.404 1.00 0.00 H new ATOM 0 HB3 ASN A 20 10.683 -16.630 2.794 1.00 0.00 H new ATOM 0 HD21 ASN A 20 13.515 -18.621 1.461 1.00 0.00 H new ATOM 0 HD22 ASN A 20 12.493 -18.591 2.902 1.00 0.00 H new ATOM 314 N PRO A 21 10.934 -19.554 4.758 1.00 0.00 N ATOM 315 CA PRO A 21 11.356 -19.649 6.139 1.00 0.00 C ATOM 316 C PRO A 21 12.571 -18.760 6.364 1.00 0.00 C ATOM 317 O PRO A 21 13.550 -19.228 6.944 1.00 0.00 O ATOM 318 CB PRO A 21 11.711 -21.122 6.339 1.00 0.00 C ATOM 319 CG PRO A 21 12.164 -21.555 4.979 1.00 0.00 C ATOM 320 CD PRO A 21 11.351 -20.713 3.999 1.00 0.00 C ATOM 0 HA PRO A 21 10.588 -19.323 6.841 1.00 0.00 H new ATOM 0 HB2 PRO A 21 12.497 -21.249 7.084 1.00 0.00 H new ATOM 0 HB3 PRO A 21 10.852 -21.700 6.680 1.00 0.00 H new ATOM 0 HG2 PRO A 21 13.233 -21.388 4.849 1.00 0.00 H new ATOM 0 HG3 PRO A 21 11.986 -22.619 4.825 1.00 0.00 H new ATOM 0 HD2 PRO A 21 11.950 -20.425 3.135 1.00 0.00 H new ATOM 0 HD3 PRO A 21 10.492 -21.267 3.621 1.00 0.00 H new ATOM 328 N MET A 22 12.491 -17.519 5.909 1.00 0.00 N ATOM 329 CA MET A 22 13.595 -16.589 6.071 1.00 0.00 C ATOM 330 C MET A 22 13.092 -15.146 6.141 1.00 0.00 C ATOM 331 O MET A 22 13.691 -14.219 5.601 1.00 0.00 O ATOM 332 CB MET A 22 14.563 -16.736 4.895 1.00 0.00 C ATOM 333 CG MET A 22 13.923 -16.249 3.594 1.00 0.00 C ATOM 334 SD MET A 22 14.968 -16.663 2.207 1.00 0.00 S ATOM 335 CE MET A 22 14.142 -15.752 0.914 1.00 0.00 C ATOM 0 H MET A 22 11.678 -17.135 5.428 1.00 0.00 H new ATOM 0 HA MET A 22 14.106 -16.821 7.005 1.00 0.00 H new ATOM 0 HB2 MET A 22 15.471 -16.166 5.093 1.00 0.00 H new ATOM 0 HB3 MET A 22 14.858 -17.780 4.791 1.00 0.00 H new ATOM 0 HG2 MET A 22 12.941 -16.705 3.469 1.00 0.00 H new ATOM 0 HG3 MET A 22 13.770 -15.171 3.636 1.00 0.00 H new ATOM 0 HE1 MET A 22 14.032 -16.387 0.035 1.00 0.00 H new ATOM 0 HE2 MET A 22 13.157 -15.439 1.261 1.00 0.00 H new ATOM 0 HE3 MET A 22 14.731 -14.872 0.655 1.00 0.00 H new ATOM 345 N TYR A 23 11.961 -14.976 6.829 1.00 0.00 N ATOM 346 CA TYR A 23 11.353 -13.670 6.986 1.00 0.00 C ATOM 347 C TYR A 23 10.592 -13.610 8.303 1.00 0.00 C ATOM 348 O TYR A 23 9.699 -14.431 8.511 1.00 0.00 O ATOM 349 CB TYR A 23 10.420 -13.399 5.809 1.00 0.00 C ATOM 350 CG TYR A 23 9.823 -12.012 5.820 1.00 0.00 C ATOM 351 CD1 TYR A 23 10.655 -10.891 5.722 1.00 0.00 C ATOM 352 CD2 TYR A 23 8.436 -11.849 5.929 1.00 0.00 C ATOM 353 CE1 TYR A 23 10.100 -9.605 5.733 1.00 0.00 C ATOM 354 CE2 TYR A 23 7.882 -10.563 5.939 1.00 0.00 C ATOM 355 CZ TYR A 23 8.714 -9.441 5.841 1.00 0.00 C ATOM 356 OH TYR A 23 8.174 -8.189 5.852 1.00 0.00 O ATOM 0 H TYR A 23 11.453 -15.734 7.284 1.00 0.00 H new ATOM 0 HA TYR A 23 12.128 -12.904 7.002 1.00 0.00 H new ATOM 0 HB2 TYR A 23 10.970 -13.542 4.879 1.00 0.00 H new ATOM 0 HB3 TYR A 23 9.614 -14.133 5.818 1.00 0.00 H new ATOM 0 HD1 TYR A 23 11.724 -11.017 5.638 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.794 -12.714 6.005 1.00 0.00 H new ATOM 0 HE1 TYR A 23 10.742 -8.740 5.658 1.00 0.00 H new ATOM 0 HE2 TYR A 23 6.813 -10.436 6.022 1.00 0.00 H new ATOM 0 HH TYR A 23 7.199 -8.254 5.932 1.00 0.00 H new ATOM 366 N GLU A 24 10.949 -12.659 9.153 1.00 0.00 N ATOM 367 CA GLU A 24 10.286 -12.515 10.437 1.00 0.00 C ATOM 368 C GLU A 24 9.266 -11.376 10.383 1.00 0.00 C ATOM 369 O GLU A 24 8.137 -11.526 10.849 1.00 0.00 O ATOM 370 CB GLU A 24 11.303 -12.286 11.557 1.00 0.00 C ATOM 371 CG GLU A 24 12.098 -13.562 11.844 1.00 0.00 C ATOM 372 CD GLU A 24 11.627 -14.222 13.142 1.00 0.00 C ATOM 373 OE1 GLU A 24 10.464 -14.680 13.155 1.00 0.00 O ATOM 374 OE2 GLU A 24 12.440 -14.253 14.090 1.00 0.00 O ATOM 0 H GLU A 24 11.690 -11.980 8.977 1.00 0.00 H new ATOM 0 HA GLU A 24 9.756 -13.442 10.656 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.985 -11.484 11.276 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.787 -11.963 12.461 1.00 0.00 H new ATOM 0 HG2 GLU A 24 11.984 -14.260 11.015 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.159 -13.325 11.917 1.00 0.00 H new ATOM 381 N ALA A 25 9.699 -10.262 9.810 1.00 0.00 N ATOM 382 CA ALA A 25 8.837 -9.099 9.689 1.00 0.00 C ATOM 383 C ALA A 25 9.473 -8.098 8.722 1.00 0.00 C ATOM 384 O ALA A 25 10.583 -8.282 8.227 1.00 0.00 O ATOM 385 CB ALA A 25 8.594 -8.497 11.074 1.00 0.00 C ATOM 0 H ALA A 25 10.636 -10.141 9.425 1.00 0.00 H new ATOM 0 HA ALA A 25 7.866 -9.381 9.282 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.947 -7.624 10.983 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.115 -9.238 11.714 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.546 -8.199 11.513 1.00 0.00 H new ATOM 391 N PRO A 26 8.733 -7.018 8.461 1.00 0.00 N ATOM 392 CA PRO A 26 9.138 -5.945 7.578 1.00 0.00 C ATOM 393 C PRO A 26 10.294 -5.178 8.204 1.00 0.00 C ATOM 394 O PRO A 26 10.802 -5.609 9.238 1.00 0.00 O ATOM 395 CB PRO A 26 7.901 -5.059 7.445 1.00 0.00 C ATOM 396 CG PRO A 26 6.681 -5.967 7.958 1.00 0.00 C ATOM 397 CD PRO A 26 7.424 -6.769 9.025 1.00 0.00 C ATOM 0 HA PRO A 26 9.481 -6.301 6.607 1.00 0.00 H new ATOM 0 HB2 PRO A 26 7.998 -4.154 8.044 1.00 0.00 H new ATOM 0 HB3 PRO A 26 7.751 -4.743 6.413 1.00 0.00 H new ATOM 0 HG2 PRO A 26 5.860 -5.379 8.367 1.00 0.00 H new ATOM 0 HG3 PRO A 26 6.262 -6.596 7.172 1.00 0.00 H new ATOM 0 HD2 PRO A 26 7.496 -6.212 9.959 1.00 0.00 H new ATOM 0 HD3 PRO A 26 6.907 -7.702 9.249 1.00 0.00 H new ATOM 405 N SER A 27 10.682 -4.076 7.580 1.00 0.00 N ATOM 406 CA SER A 27 11.778 -3.271 8.094 1.00 0.00 C ATOM 407 C SER A 27 11.545 -1.796 7.760 1.00 0.00 C ATOM 408 O SER A 27 12.487 -1.005 7.738 1.00 0.00 O ATOM 409 CB SER A 27 13.119 -3.739 7.524 1.00 0.00 C ATOM 410 OG SER A 27 14.018 -4.155 8.548 1.00 0.00 O ATOM 0 H SER A 27 10.257 -3.721 6.723 1.00 0.00 H new ATOM 0 HA SER A 27 11.812 -3.391 9.177 1.00 0.00 H new ATOM 0 HB2 SER A 27 12.951 -4.564 6.832 1.00 0.00 H new ATOM 0 HB3 SER A 27 13.572 -2.930 6.951 1.00 0.00 H new ATOM 0 HG SER A 27 14.861 -4.448 8.144 1.00 0.00 H new ATOM 416 N ILE A 28 10.285 -1.471 7.510 1.00 0.00 N ATOM 417 CA ILE A 28 9.917 -0.105 7.179 1.00 0.00 C ATOM 418 C ILE A 28 10.926 0.463 6.179 1.00 0.00 C ATOM 419 O ILE A 28 11.446 1.560 6.372 1.00 0.00 O ATOM 420 CB ILE A 28 9.773 0.734 8.451 1.00 0.00 C ATOM 421 CG1 ILE A 28 11.065 0.712 9.271 1.00 0.00 C ATOM 422 CG2 ILE A 28 8.564 0.282 9.272 1.00 0.00 C ATOM 423 CD1 ILE A 28 10.987 1.694 10.442 1.00 0.00 C ATOM 0 H ILE A 28 9.507 -2.130 7.530 1.00 0.00 H new ATOM 0 HA ILE A 28 8.940 -0.080 6.696 1.00 0.00 H new ATOM 0 HB ILE A 28 9.595 1.769 8.160 1.00 0.00 H new ATOM 0 HG12 ILE A 28 11.244 -0.295 9.647 1.00 0.00 H new ATOM 0 HG13 ILE A 28 11.910 0.968 8.632 1.00 0.00 H new ATOM 0 HG21 ILE A 28 8.485 0.894 10.170 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.658 0.392 8.676 1.00 0.00 H new ATOM 0 HG23 ILE A 28 8.687 -0.763 9.555 1.00 0.00 H new ATOM 0 HD11 ILE A 28 11.917 1.659 11.009 1.00 0.00 H new ATOM 0 HD12 ILE A 28 10.832 2.703 10.061 1.00 0.00 H new ATOM 0 HD13 ILE A 28 10.156 1.420 11.092 1.00 0.00 H new ATOM 435 N THR A 29 11.171 -0.310 5.131 1.00 0.00 N ATOM 436 CA THR A 29 12.108 0.102 4.100 1.00 0.00 C ATOM 437 C THR A 29 11.459 0.003 2.718 1.00 0.00 C ATOM 438 O THR A 29 11.298 1.009 2.030 1.00 0.00 O ATOM 439 CB THR A 29 13.371 -0.751 4.240 1.00 0.00 C ATOM 440 OG1 THR A 29 13.866 -0.428 5.537 1.00 0.00 O ATOM 441 CG2 THR A 29 14.487 -0.305 3.294 1.00 0.00 C ATOM 0 H THR A 29 10.737 -1.219 4.974 1.00 0.00 H new ATOM 0 HA THR A 29 12.390 1.148 4.218 1.00 0.00 H new ATOM 0 HB THR A 29 13.127 -1.795 4.046 1.00 0.00 H new ATOM 0 HG1 THR A 29 13.323 -0.880 6.216 1.00 0.00 H new ATOM 0 HG21 THR A 29 15.360 -0.943 3.434 1.00 0.00 H new ATOM 0 HG22 THR A 29 14.143 -0.383 2.263 1.00 0.00 H new ATOM 0 HG23 THR A 29 14.755 0.729 3.510 1.00 0.00 H new ATOM 449 N ASP A 30 11.103 -1.220 2.354 1.00 0.00 N ATOM 450 CA ASP A 30 10.474 -1.464 1.067 1.00 0.00 C ATOM 451 C ASP A 30 9.411 -0.394 0.812 1.00 0.00 C ATOM 452 O ASP A 30 9.234 0.054 -0.320 1.00 0.00 O ATOM 453 CB ASP A 30 9.786 -2.830 1.040 1.00 0.00 C ATOM 454 CG ASP A 30 10.082 -3.680 -0.198 1.00 0.00 C ATOM 455 OD1 ASP A 30 11.122 -4.372 -0.175 1.00 0.00 O ATOM 456 OD2 ASP A 30 9.261 -3.617 -1.139 1.00 0.00 O ATOM 0 H ASP A 30 11.238 -2.053 2.928 1.00 0.00 H new ATOM 0 HA ASP A 30 11.250 -1.436 0.302 1.00 0.00 H new ATOM 0 HB2 ASP A 30 10.087 -3.389 1.926 1.00 0.00 H new ATOM 0 HB3 ASP A 30 8.709 -2.679 1.109 1.00 0.00 H new ATOM 461 N GLY A 31 8.730 -0.015 1.884 1.00 0.00 N ATOM 462 CA GLY A 31 7.689 0.994 1.791 1.00 0.00 C ATOM 463 C GLY A 31 8.285 2.372 1.495 1.00 0.00 C ATOM 464 O GLY A 31 8.102 3.311 2.268 1.00 0.00 O ATOM 0 H GLY A 31 8.879 -0.389 2.821 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.984 0.723 1.005 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.128 1.030 2.725 1.00 0.00 H new ATOM 468 N LYS A 32 8.987 2.448 0.373 1.00 0.00 N ATOM 469 CA LYS A 32 9.612 3.695 -0.035 1.00 0.00 C ATOM 470 C LYS A 32 9.946 3.629 -1.526 1.00 0.00 C ATOM 471 O LYS A 32 9.429 4.417 -2.317 1.00 0.00 O ATOM 472 CB LYS A 32 10.819 4.006 0.853 1.00 0.00 C ATOM 473 CG LYS A 32 10.560 5.240 1.719 1.00 0.00 C ATOM 474 CD LYS A 32 10.456 6.501 0.859 1.00 0.00 C ATOM 475 CE LYS A 32 10.840 7.745 1.663 1.00 0.00 C ATOM 476 NZ LYS A 32 12.137 8.284 1.195 1.00 0.00 N ATOM 0 H LYS A 32 9.137 1.667 -0.266 1.00 0.00 H new ATOM 0 HA LYS A 32 8.923 4.529 0.101 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.036 3.149 1.491 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.699 4.172 0.231 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.638 5.105 2.285 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.366 5.355 2.444 1.00 0.00 H new ATOM 0 HD2 LYS A 32 11.109 6.409 -0.009 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.438 6.606 0.483 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.065 8.505 1.561 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.904 7.495 2.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 12.383 9.128 1.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 12.876 7.563 1.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 12.064 8.541 0.190 1.00 0.00 H new ATOM 490 N ILE A 33 10.808 2.682 -1.865 1.00 0.00 N ATOM 491 CA ILE A 33 11.217 2.502 -3.248 1.00 0.00 C ATOM 492 C ILE A 33 10.101 1.792 -4.017 1.00 0.00 C ATOM 493 O ILE A 33 9.707 2.234 -5.095 1.00 0.00 O ATOM 494 CB ILE A 33 12.566 1.785 -3.319 1.00 0.00 C ATOM 495 CG1 ILE A 33 13.652 2.585 -2.596 1.00 0.00 C ATOM 496 CG2 ILE A 33 12.949 1.478 -4.768 1.00 0.00 C ATOM 497 CD1 ILE A 33 14.748 1.663 -2.060 1.00 0.00 C ATOM 0 H ILE A 33 11.235 2.031 -1.206 1.00 0.00 H new ATOM 0 HA ILE A 33 11.371 3.468 -3.729 1.00 0.00 H new ATOM 0 HB ILE A 33 12.472 0.830 -2.802 1.00 0.00 H new ATOM 0 HG12 ILE A 33 14.087 3.314 -3.280 1.00 0.00 H new ATOM 0 HG13 ILE A 33 13.209 3.145 -1.773 1.00 0.00 H new ATOM 0 HG21 ILE A 33 13.912 0.968 -4.790 1.00 0.00 H new ATOM 0 HG22 ILE A 33 12.190 0.838 -5.217 1.00 0.00 H new ATOM 0 HG23 ILE A 33 13.018 2.409 -5.331 1.00 0.00 H new ATOM 0 HD11 ILE A 33 15.507 2.257 -1.551 1.00 0.00 H new ATOM 0 HD12 ILE A 33 14.314 0.951 -1.358 1.00 0.00 H new ATOM 0 HD13 ILE A 33 15.206 1.122 -2.888 1.00 0.00 H new ATOM 509 N PHE A 34 9.625 0.702 -3.434 1.00 0.00 N ATOM 510 CA PHE A 34 8.563 -0.074 -4.051 1.00 0.00 C ATOM 511 C PHE A 34 7.348 0.805 -4.357 1.00 0.00 C ATOM 512 O PHE A 34 6.511 0.447 -5.184 1.00 0.00 O ATOM 513 CB PHE A 34 8.156 -1.154 -3.046 1.00 0.00 C ATOM 514 CG PHE A 34 6.809 -1.812 -3.352 1.00 0.00 C ATOM 515 CD1 PHE A 34 6.682 -2.631 -4.430 1.00 0.00 C ATOM 516 CD2 PHE A 34 5.739 -1.578 -2.545 1.00 0.00 C ATOM 517 CE1 PHE A 34 5.432 -3.243 -4.713 1.00 0.00 C ATOM 518 CE2 PHE A 34 4.489 -2.190 -2.829 1.00 0.00 C ATOM 519 CZ PHE A 34 4.362 -3.009 -3.907 1.00 0.00 C ATOM 0 H PHE A 34 9.955 0.338 -2.540 1.00 0.00 H new ATOM 0 HA PHE A 34 8.913 -0.503 -4.990 1.00 0.00 H new ATOM 0 HB2 PHE A 34 8.928 -1.923 -3.022 1.00 0.00 H new ATOM 0 HB3 PHE A 34 8.115 -0.713 -2.050 1.00 0.00 H new ATOM 0 HD1 PHE A 34 7.531 -2.816 -5.071 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.840 -0.927 -1.689 1.00 0.00 H new ATOM 0 HE1 PHE A 34 5.331 -3.894 -5.569 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.639 -2.005 -2.189 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.411 -3.474 -4.123 1.00 0.00 H new ATOM 529 N PHE A 35 7.291 1.939 -3.673 1.00 0.00 N ATOM 530 CA PHE A 35 6.193 2.871 -3.862 1.00 0.00 C ATOM 531 C PHE A 35 6.664 4.133 -4.587 1.00 0.00 C ATOM 532 O PHE A 35 5.892 5.073 -4.772 1.00 0.00 O ATOM 533 CB PHE A 35 5.689 3.256 -2.469 1.00 0.00 C ATOM 534 CG PHE A 35 4.602 4.332 -2.476 1.00 0.00 C ATOM 535 CD1 PHE A 35 3.327 4.009 -2.823 1.00 0.00 C ATOM 536 CD2 PHE A 35 4.910 5.613 -2.136 1.00 0.00 C ATOM 537 CE1 PHE A 35 2.318 5.008 -2.830 1.00 0.00 C ATOM 538 CE2 PHE A 35 3.901 6.611 -2.142 1.00 0.00 C ATOM 539 CZ PHE A 35 2.626 6.288 -2.490 1.00 0.00 C ATOM 0 H PHE A 35 7.987 2.233 -2.988 1.00 0.00 H new ATOM 0 HA PHE A 35 5.411 2.408 -4.465 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.301 2.365 -1.975 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.531 3.609 -1.874 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.082 2.992 -3.093 1.00 0.00 H new ATOM 0 HD2 PHE A 35 5.922 5.870 -1.862 1.00 0.00 H new ATOM 0 HE1 PHE A 35 1.306 4.751 -3.105 1.00 0.00 H new ATOM 0 HE2 PHE A 35 4.145 7.627 -1.870 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.859 7.048 -2.496 1.00 0.00 H new ATOM 549 N ASN A 36 7.930 4.115 -4.979 1.00 0.00 N ATOM 550 CA ASN A 36 8.513 5.246 -5.680 1.00 0.00 C ATOM 551 C ASN A 36 9.468 4.733 -6.760 1.00 0.00 C ATOM 552 O ASN A 36 10.425 5.416 -7.122 1.00 0.00 O ATOM 553 CB ASN A 36 9.312 6.133 -4.725 1.00 0.00 C ATOM 554 CG ASN A 36 8.384 6.886 -3.769 1.00 0.00 C ATOM 555 OD1 ASN A 36 7.171 6.863 -3.894 1.00 0.00 O ATOM 556 ND2 ASN A 36 9.020 7.553 -2.810 1.00 0.00 N ATOM 0 H ASN A 36 8.568 3.334 -4.824 1.00 0.00 H new ATOM 0 HA ASN A 36 7.701 5.827 -6.117 1.00 0.00 H new ATOM 0 HB2 ASN A 36 10.010 5.521 -4.153 1.00 0.00 H new ATOM 0 HB3 ASN A 36 9.907 6.846 -5.297 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.489 8.087 -2.122 1.00 0.00 H new ATOM 0 HD22 ASN A 36 10.039 7.530 -2.762 1.00 0.00 H new ATOM 563 N ARG A 37 9.175 3.535 -7.244 1.00 0.00 N ATOM 564 CA ARG A 37 9.996 2.924 -8.276 1.00 0.00 C ATOM 565 C ARG A 37 9.283 2.988 -9.628 1.00 0.00 C ATOM 566 O ARG A 37 8.477 2.117 -9.951 1.00 0.00 O ATOM 567 CB ARG A 37 10.306 1.464 -7.939 1.00 0.00 C ATOM 568 CG ARG A 37 11.403 0.912 -8.851 1.00 0.00 C ATOM 569 CD ARG A 37 12.791 1.287 -8.326 1.00 0.00 C ATOM 570 NE ARG A 37 13.165 2.637 -8.803 1.00 0.00 N ATOM 571 CZ ARG A 37 13.483 2.924 -10.073 1.00 0.00 C ATOM 572 NH1 ARG A 37 13.474 1.958 -11.001 1.00 0.00 N ATOM 573 NH2 ARG A 37 13.809 4.178 -10.414 1.00 0.00 N ATOM 0 H ARG A 37 8.381 2.971 -6.941 1.00 0.00 H new ATOM 0 HA ARG A 37 10.932 3.480 -8.329 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.620 1.386 -6.898 1.00 0.00 H new ATOM 0 HB3 ARG A 37 9.403 0.863 -8.045 1.00 0.00 H new ATOM 0 HG2 ARG A 37 11.315 -0.173 -8.916 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.274 1.304 -9.860 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.795 1.263 -7.236 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.526 0.556 -8.664 1.00 0.00 H new ATOM 0 HE ARG A 37 13.182 3.397 -8.123 1.00 0.00 H new ATOM 0 HH11 ARG A 37 13.225 1.004 -10.741 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.716 2.177 -11.967 1.00 0.00 H new ATOM 0 HH21 ARG A 37 13.815 4.913 -9.707 1.00 0.00 H new ATOM 0 HH22 ARG A 37 14.051 4.397 -11.380 1.00 0.00 H new ATOM 587 N LYS A 38 9.607 4.028 -10.383 1.00 0.00 N ATOM 588 CA LYS A 38 9.009 4.217 -11.693 1.00 0.00 C ATOM 589 C LYS A 38 9.021 2.888 -12.451 1.00 0.00 C ATOM 590 O LYS A 38 10.012 2.545 -13.093 1.00 0.00 O ATOM 591 CB LYS A 38 9.703 5.358 -12.440 1.00 0.00 C ATOM 592 CG LYS A 38 9.184 5.470 -13.875 1.00 0.00 C ATOM 593 CD LYS A 38 8.225 6.653 -14.020 1.00 0.00 C ATOM 594 CE LYS A 38 8.961 7.981 -13.832 1.00 0.00 C ATOM 595 NZ LYS A 38 10.134 8.055 -14.732 1.00 0.00 N ATOM 0 H LYS A 38 10.276 4.748 -10.112 1.00 0.00 H new ATOM 0 HA LYS A 38 7.966 4.519 -11.596 1.00 0.00 H new ATOM 0 HB2 LYS A 38 9.534 6.298 -11.914 1.00 0.00 H new ATOM 0 HB3 LYS A 38 10.780 5.188 -12.451 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.023 5.591 -14.561 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.675 4.548 -14.154 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.757 6.628 -15.004 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.425 6.569 -13.285 1.00 0.00 H new ATOM 0 HE2 LYS A 38 8.285 8.811 -14.037 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.283 8.081 -12.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.284 9.041 -15.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 10.978 7.711 -14.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.965 7.465 -15.571 1.00 0.00 H new ATOM 609 N PHE A 39 7.907 2.177 -12.352 1.00 0.00 N ATOM 610 CA PHE A 39 7.778 0.893 -13.021 1.00 0.00 C ATOM 611 C PHE A 39 6.834 0.993 -14.221 1.00 0.00 C ATOM 612 O PHE A 39 6.005 1.900 -14.290 1.00 0.00 O ATOM 613 CB PHE A 39 7.186 -0.084 -12.002 1.00 0.00 C ATOM 614 CG PHE A 39 5.822 0.339 -11.454 1.00 0.00 C ATOM 615 CD1 PHE A 39 4.703 0.168 -12.208 1.00 0.00 C ATOM 616 CD2 PHE A 39 5.728 0.887 -10.212 1.00 0.00 C ATOM 617 CE1 PHE A 39 3.437 0.560 -11.698 1.00 0.00 C ATOM 618 CE2 PHE A 39 4.462 1.279 -9.703 1.00 0.00 C ATOM 619 CZ PHE A 39 3.343 1.108 -10.457 1.00 0.00 C ATOM 0 H PHE A 39 7.086 2.465 -11.819 1.00 0.00 H new ATOM 0 HA PHE A 39 8.751 0.563 -13.384 1.00 0.00 H new ATOM 0 HB2 PHE A 39 7.091 -1.065 -12.468 1.00 0.00 H new ATOM 0 HB3 PHE A 39 7.882 -0.192 -11.171 1.00 0.00 H new ATOM 0 HD1 PHE A 39 4.777 -0.266 -13.194 1.00 0.00 H new ATOM 0 HD2 PHE A 39 6.617 1.024 -9.613 1.00 0.00 H new ATOM 0 HE1 PHE A 39 2.548 0.423 -12.296 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.387 1.713 -8.717 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.380 1.407 -10.070 1.00 0.00 H new ATOM 629 N LYS A 40 6.991 0.049 -15.137 1.00 0.00 N ATOM 630 CA LYS A 40 6.164 0.019 -16.331 1.00 0.00 C ATOM 631 C LYS A 40 5.173 -1.142 -16.231 1.00 0.00 C ATOM 632 O LYS A 40 5.526 -2.226 -15.768 1.00 0.00 O ATOM 633 CB LYS A 40 7.037 -0.024 -17.587 1.00 0.00 C ATOM 634 CG LYS A 40 6.499 0.924 -18.661 1.00 0.00 C ATOM 635 CD LYS A 40 6.418 0.224 -20.019 1.00 0.00 C ATOM 636 CE LYS A 40 7.700 0.441 -20.825 1.00 0.00 C ATOM 637 NZ LYS A 40 8.485 -0.812 -20.896 1.00 0.00 N ATOM 0 H LYS A 40 7.679 -0.701 -15.076 1.00 0.00 H new ATOM 0 HA LYS A 40 5.577 0.934 -16.410 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.060 0.252 -17.333 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.069 -1.041 -17.977 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.511 1.282 -18.373 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.146 1.798 -18.736 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.253 -0.843 -19.873 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.564 0.605 -20.578 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.451 0.779 -21.831 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.298 1.227 -20.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.352 -0.648 -21.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.738 -1.118 -19.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.917 -1.552 -21.357 1.00 0.00 H new ATOM 651 N THR A 41 3.952 -0.876 -16.672 1.00 0.00 N ATOM 652 CA THR A 41 2.908 -1.886 -16.638 1.00 0.00 C ATOM 653 C THR A 41 2.936 -2.726 -17.916 1.00 0.00 C ATOM 654 O THR A 41 3.397 -2.295 -18.971 1.00 0.00 O ATOM 655 CB THR A 41 1.572 -1.176 -16.407 1.00 0.00 C ATOM 656 OG1 THR A 41 1.330 -0.485 -17.629 1.00 0.00 O ATOM 657 CG2 THR A 41 1.674 -0.063 -15.363 1.00 0.00 C ATOM 0 H THR A 41 3.663 0.024 -17.055 1.00 0.00 H new ATOM 0 HA THR A 41 3.065 -2.590 -15.821 1.00 0.00 H new ATOM 0 HB THR A 41 0.824 -1.903 -16.090 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.878 0.327 -17.660 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.699 0.408 -15.237 1.00 0.00 H new ATOM 0 HG22 THR A 41 1.999 -0.485 -14.412 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.397 0.682 -15.695 1.00 0.00 H new ATOM 665 N PRO A 42 2.426 -3.954 -17.795 1.00 0.00 N ATOM 666 CA PRO A 42 2.350 -4.916 -18.874 1.00 0.00 C ATOM 667 C PRO A 42 1.489 -4.356 -19.998 1.00 0.00 C ATOM 668 O PRO A 42 1.429 -4.969 -21.062 1.00 0.00 O ATOM 669 CB PRO A 42 1.703 -6.151 -18.253 1.00 0.00 C ATOM 670 CG PRO A 42 0.881 -5.561 -17.021 1.00 0.00 C ATOM 671 CD PRO A 42 1.876 -4.493 -16.571 1.00 0.00 C ATOM 0 HA PRO A 42 3.324 -5.148 -19.305 1.00 0.00 H new ATOM 0 HB2 PRO A 42 1.052 -6.662 -18.962 1.00 0.00 H new ATOM 0 HB3 PRO A 42 2.450 -6.875 -17.927 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -0.082 -5.144 -17.316 1.00 0.00 H new ATOM 0 HG3 PRO A 42 0.683 -6.306 -16.250 1.00 0.00 H new ATOM 0 HD2 PRO A 42 1.384 -3.717 -15.984 1.00 0.00 H new ATOM 0 HD3 PRO A 42 2.657 -4.921 -15.942 1.00 0.00 H new ATOM 679 N SER A 43 0.849 -3.223 -19.747 1.00 0.00 N ATOM 680 CA SER A 43 0.000 -2.605 -20.751 1.00 0.00 C ATOM 681 C SER A 43 0.730 -1.428 -21.402 1.00 0.00 C ATOM 682 O SER A 43 0.103 -0.444 -21.791 1.00 0.00 O ATOM 683 CB SER A 43 -1.324 -2.138 -20.142 1.00 0.00 C ATOM 684 OG SER A 43 -1.318 -0.742 -19.860 1.00 0.00 O ATOM 0 H SER A 43 0.902 -2.717 -18.863 1.00 0.00 H new ATOM 0 HA SER A 43 -0.225 -3.351 -21.514 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.139 -2.366 -20.829 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.516 -2.693 -19.224 1.00 0.00 H new ATOM 0 HG SER A 43 -1.282 -0.239 -20.700 1.00 0.00 H new ATOM 690 N GLY A 44 2.043 -1.569 -21.500 1.00 0.00 N ATOM 691 CA GLY A 44 2.865 -0.530 -22.096 1.00 0.00 C ATOM 692 C GLY A 44 2.477 0.850 -21.561 1.00 0.00 C ATOM 693 O GLY A 44 1.761 1.599 -22.224 1.00 0.00 O ATOM 0 H GLY A 44 2.559 -2.388 -21.177 1.00 0.00 H new ATOM 0 HA2 GLY A 44 3.916 -0.725 -21.882 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.752 -0.549 -23.180 1.00 0.00 H new ATOM 697 N LYS A 45 2.967 1.145 -20.366 1.00 0.00 N ATOM 698 CA LYS A 45 2.681 2.422 -19.734 1.00 0.00 C ATOM 699 C LYS A 45 3.477 2.532 -18.431 1.00 0.00 C ATOM 700 O LYS A 45 3.443 1.625 -17.601 1.00 0.00 O ATOM 701 CB LYS A 45 1.173 2.603 -19.550 1.00 0.00 C ATOM 702 CG LYS A 45 0.847 4.011 -19.048 1.00 0.00 C ATOM 703 CD LYS A 45 -0.604 4.382 -19.360 1.00 0.00 C ATOM 704 CE LYS A 45 -1.520 4.054 -18.179 1.00 0.00 C ATOM 705 NZ LYS A 45 -2.770 4.843 -18.257 1.00 0.00 N ATOM 0 H LYS A 45 3.560 0.522 -19.819 1.00 0.00 H new ATOM 0 HA LYS A 45 3.002 3.244 -20.374 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.663 2.424 -20.497 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.798 1.865 -18.841 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.017 4.066 -17.973 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.519 4.732 -19.514 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.670 5.445 -19.591 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -0.939 3.842 -20.246 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.755 2.990 -18.178 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.006 4.268 -17.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.380 4.608 -17.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.542 5.857 -18.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.268 4.619 -19.142 1.00 0.00 H new ATOM 719 N GLU A 46 4.174 3.650 -18.293 1.00 0.00 N ATOM 720 CA GLU A 46 4.977 3.889 -17.106 1.00 0.00 C ATOM 721 C GLU A 46 4.136 4.576 -16.027 1.00 0.00 C ATOM 722 O GLU A 46 3.557 5.634 -16.267 1.00 0.00 O ATOM 723 CB GLU A 46 6.219 4.716 -17.442 1.00 0.00 C ATOM 724 CG GLU A 46 7.398 4.322 -16.549 1.00 0.00 C ATOM 725 CD GLU A 46 8.726 4.767 -17.166 1.00 0.00 C ATOM 726 OE1 GLU A 46 8.869 5.990 -17.382 1.00 0.00 O ATOM 727 OE2 GLU A 46 9.567 3.875 -17.407 1.00 0.00 O ATOM 0 H GLU A 46 4.199 4.400 -18.983 1.00 0.00 H new ATOM 0 HA GLU A 46 5.315 2.928 -16.719 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.486 4.569 -18.489 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.000 5.776 -17.315 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.280 4.775 -15.565 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.404 3.242 -16.404 1.00 0.00 H new ATOM 734 N ALA A 47 4.097 3.946 -14.862 1.00 0.00 N ATOM 735 CA ALA A 47 3.338 4.483 -13.746 1.00 0.00 C ATOM 736 C ALA A 47 4.163 4.354 -12.464 1.00 0.00 C ATOM 737 O ALA A 47 5.343 4.008 -12.513 1.00 0.00 O ATOM 738 CB ALA A 47 1.993 3.760 -13.649 1.00 0.00 C ATOM 0 H ALA A 47 4.579 3.068 -14.667 1.00 0.00 H new ATOM 0 HA ALA A 47 3.129 5.542 -13.898 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.423 4.163 -12.812 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.433 3.907 -14.573 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.163 2.695 -13.493 1.00 0.00 H new ATOM 744 N ALA A 48 3.511 4.638 -11.347 1.00 0.00 N ATOM 745 CA ALA A 48 4.169 4.558 -10.054 1.00 0.00 C ATOM 746 C ALA A 48 3.130 4.736 -8.945 1.00 0.00 C ATOM 747 O ALA A 48 2.090 5.357 -9.158 1.00 0.00 O ATOM 748 CB ALA A 48 5.283 5.605 -9.983 1.00 0.00 C ATOM 0 H ALA A 48 2.533 4.924 -11.310 1.00 0.00 H new ATOM 0 HA ALA A 48 4.631 3.580 -9.918 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.777 5.545 -9.013 1.00 0.00 H new ATOM 0 HB2 ALA A 48 6.010 5.417 -10.773 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.856 6.600 -10.112 1.00 0.00 H new ATOM 754 N CYS A 49 3.448 4.180 -7.786 1.00 0.00 N ATOM 755 CA CYS A 49 2.556 4.269 -6.643 1.00 0.00 C ATOM 756 C CYS A 49 2.563 5.714 -6.139 1.00 0.00 C ATOM 757 O CYS A 49 1.772 6.076 -5.269 1.00 0.00 O ATOM 758 CB CYS A 49 2.944 3.279 -5.543 1.00 0.00 C ATOM 759 SG CYS A 49 3.240 1.568 -6.120 1.00 0.00 S ATOM 0 H CYS A 49 4.312 3.666 -7.614 1.00 0.00 H new ATOM 0 HA CYS A 49 1.545 3.996 -6.946 1.00 0.00 H new ATOM 0 HB2 CYS A 49 3.845 3.642 -5.049 1.00 0.00 H new ATOM 0 HB3 CYS A 49 2.153 3.263 -4.793 1.00 0.00 H new ATOM 764 N ALA A 50 3.466 6.500 -6.707 1.00 0.00 N ATOM 765 CA ALA A 50 3.587 7.897 -6.326 1.00 0.00 C ATOM 766 C ALA A 50 3.018 8.776 -7.441 1.00 0.00 C ATOM 767 O ALA A 50 3.093 10.002 -7.370 1.00 0.00 O ATOM 768 CB ALA A 50 5.052 8.218 -6.021 1.00 0.00 C ATOM 0 H ALA A 50 4.121 6.196 -7.428 1.00 0.00 H new ATOM 0 HA ALA A 50 3.014 8.099 -5.421 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.143 9.266 -5.735 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.400 7.587 -5.203 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.658 8.030 -6.907 1.00 0.00 H new ATOM 774 N SER A 51 2.461 8.116 -8.446 1.00 0.00 N ATOM 775 CA SER A 51 1.880 8.822 -9.575 1.00 0.00 C ATOM 776 C SER A 51 0.448 9.248 -9.244 1.00 0.00 C ATOM 777 O SER A 51 -0.096 10.153 -9.876 1.00 0.00 O ATOM 778 CB SER A 51 1.898 7.956 -10.835 1.00 0.00 C ATOM 779 OG SER A 51 2.706 8.524 -11.863 1.00 0.00 O ATOM 0 H SER A 51 2.400 7.099 -8.502 1.00 0.00 H new ATOM 0 HA SER A 51 2.481 9.710 -9.769 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.273 6.963 -10.587 1.00 0.00 H new ATOM 0 HB3 SER A 51 0.880 7.830 -11.203 1.00 0.00 H new ATOM 0 HG SER A 51 2.693 7.940 -12.650 1.00 0.00 H new ATOM 785 N CYS A 52 -0.121 8.577 -8.254 1.00 0.00 N ATOM 786 CA CYS A 52 -1.480 8.875 -7.832 1.00 0.00 C ATOM 787 C CYS A 52 -1.456 9.207 -6.339 1.00 0.00 C ATOM 788 O CYS A 52 -2.037 10.199 -5.905 1.00 0.00 O ATOM 789 CB CYS A 52 -2.435 7.721 -8.145 1.00 0.00 C ATOM 790 SG CYS A 52 -2.634 7.548 -9.956 1.00 0.00 S ATOM 0 H CYS A 52 0.333 7.828 -7.732 1.00 0.00 H new ATOM 0 HA CYS A 52 -1.857 9.733 -8.388 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -2.048 6.793 -7.723 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -3.404 7.903 -7.680 1.00 0.00 H new ATOM 795 N HIS A 53 -0.772 8.349 -5.581 1.00 0.00 N ATOM 796 CA HIS A 53 -0.639 8.500 -4.136 1.00 0.00 C ATOM 797 C HIS A 53 0.603 9.352 -3.815 1.00 0.00 C ATOM 798 O HIS A 53 1.074 9.355 -2.679 1.00 0.00 O ATOM 799 CB HIS A 53 -0.635 7.108 -3.489 1.00 0.00 C ATOM 800 CG HIS A 53 -1.751 6.170 -3.887 1.00 0.00 C ATOM 801 ND1 HIS A 53 -3.041 6.491 -3.755 1.00 0.00 N ATOM 802 CD2 HIS A 53 -1.724 4.903 -4.420 1.00 0.00 C ATOM 803 CE1 HIS A 53 -3.790 5.464 -4.189 1.00 0.00 C ATOM 804 NE2 HIS A 53 -3.026 4.458 -4.611 1.00 0.00 N ATOM 0 H HIS A 53 -0.295 7.529 -5.955 1.00 0.00 H new ATOM 0 HA HIS A 53 -1.486 9.039 -3.711 1.00 0.00 H new ATOM 0 HB2 HIS A 53 0.314 6.626 -3.724 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -0.668 7.236 -2.407 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -3.399 7.372 -3.385 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -0.831 4.342 -4.653 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -4.870 5.455 -4.195 1.00 0.00 H new ATOM 812 N THR A 54 1.091 10.048 -4.831 1.00 0.00 N ATOM 813 CA THR A 54 2.260 10.895 -4.665 1.00 0.00 C ATOM 814 C THR A 54 3.389 10.118 -3.984 1.00 0.00 C ATOM 815 O THR A 54 3.181 9.003 -3.509 1.00 0.00 O ATOM 816 CB THR A 54 1.833 12.146 -3.895 1.00 0.00 C ATOM 817 OG1 THR A 54 1.249 11.635 -2.700 1.00 0.00 O ATOM 818 CG2 THR A 54 0.686 12.892 -4.581 1.00 0.00 C ATOM 0 H THR A 54 0.698 10.043 -5.772 1.00 0.00 H new ATOM 0 HA THR A 54 2.660 11.210 -5.629 1.00 0.00 H new ATOM 0 HB THR A 54 2.687 12.815 -3.786 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.805 10.908 -2.349 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.421 13.771 -3.994 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.998 13.202 -5.578 1.00 0.00 H new ATOM 0 HG23 THR A 54 -0.180 12.235 -4.660 1.00 0.00 H new ATOM 826 N ASN A 55 4.559 10.739 -3.957 1.00 0.00 N ATOM 827 CA ASN A 55 5.721 10.120 -3.342 1.00 0.00 C ATOM 828 C ASN A 55 5.365 9.677 -1.921 1.00 0.00 C ATOM 829 O ASN A 55 5.974 8.753 -1.385 1.00 0.00 O ATOM 830 CB ASN A 55 6.887 11.105 -3.252 1.00 0.00 C ATOM 831 CG ASN A 55 6.469 12.386 -2.528 1.00 0.00 C ATOM 832 OD1 ASN A 55 6.380 12.443 -1.313 1.00 0.00 O ATOM 833 ND2 ASN A 55 6.216 13.409 -3.340 1.00 0.00 N ATOM 0 H ASN A 55 4.727 11.665 -4.351 1.00 0.00 H new ATOM 0 HA ASN A 55 6.015 9.269 -3.957 1.00 0.00 H new ATOM 0 HB2 ASN A 55 7.720 10.640 -2.724 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.240 11.348 -4.254 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.928 14.308 -2.953 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.310 13.294 -4.349 1.00 0.00 H new ATOM 840 N ASN A 56 4.381 10.358 -1.353 1.00 0.00 N ATOM 841 CA ASN A 56 3.937 10.047 -0.005 1.00 0.00 C ATOM 842 C ASN A 56 2.417 9.870 -0.001 1.00 0.00 C ATOM 843 O ASN A 56 1.658 10.740 -0.422 1.00 0.00 O ATOM 844 CB ASN A 56 4.284 11.179 0.964 1.00 0.00 C ATOM 845 CG ASN A 56 4.652 10.627 2.343 1.00 0.00 C ATOM 846 OD1 ASN A 56 5.265 9.581 2.478 1.00 0.00 O ATOM 847 ND2 ASN A 56 4.245 11.387 3.356 1.00 0.00 N ATOM 0 H ASN A 56 3.879 11.124 -1.802 1.00 0.00 H new ATOM 0 HA ASN A 56 4.439 9.133 0.313 1.00 0.00 H new ATOM 0 HB2 ASN A 56 5.116 11.760 0.567 1.00 0.00 H new ATOM 0 HB3 ASN A 56 3.436 11.858 1.055 1.00 0.00 H new ATOM 0 HD21 ASN A 56 4.442 11.105 4.316 1.00 0.00 H new ATOM 0 HD22 ASN A 56 3.736 12.252 3.172 1.00 0.00 H new ATOM 854 N PRO A 57 1.986 8.707 0.491 1.00 0.00 N ATOM 855 CA PRO A 57 0.592 8.330 0.591 1.00 0.00 C ATOM 856 C PRO A 57 -0.085 9.160 1.672 1.00 0.00 C ATOM 857 O PRO A 57 -1.239 9.544 1.490 1.00 0.00 O ATOM 858 CB PRO A 57 0.613 6.851 0.970 1.00 0.00 C ATOM 859 CG PRO A 57 1.916 6.679 1.696 1.00 0.00 C ATOM 860 CD PRO A 57 2.851 7.662 0.994 1.00 0.00 C ATOM 0 HA PRO A 57 0.039 8.499 -0.333 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.234 6.590 1.604 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.560 6.212 0.088 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.817 6.908 2.757 1.00 0.00 H new ATOM 0 HG3 PRO A 57 2.283 5.655 1.624 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.593 8.062 1.684 1.00 0.00 H new ATOM 0 HD3 PRO A 57 3.397 7.178 0.184 1.00 0.00 H new ATOM 868 N ALA A 58 0.629 9.418 2.757 1.00 0.00 N ATOM 869 CA ALA A 58 0.076 10.202 3.849 1.00 0.00 C ATOM 870 C ALA A 58 -0.294 11.594 3.335 1.00 0.00 C ATOM 871 O ALA A 58 -1.010 12.337 4.005 1.00 0.00 O ATOM 872 CB ALA A 58 1.080 10.253 5.002 1.00 0.00 C ATOM 0 H ALA A 58 1.586 9.098 2.904 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.834 9.739 4.231 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.665 10.841 5.820 1.00 0.00 H new ATOM 0 HB2 ALA A 58 1.286 9.241 5.350 1.00 0.00 H new ATOM 0 HB3 ALA A 58 2.006 10.714 4.658 1.00 0.00 H new ATOM 878 N ASN A 59 0.211 11.907 2.151 1.00 0.00 N ATOM 879 CA ASN A 59 -0.057 13.197 1.539 1.00 0.00 C ATOM 880 C ASN A 59 -1.297 13.088 0.650 1.00 0.00 C ATOM 881 O ASN A 59 -1.829 11.996 0.452 1.00 0.00 O ATOM 882 CB ASN A 59 1.115 13.646 0.664 1.00 0.00 C ATOM 883 CG ASN A 59 1.188 15.172 0.586 1.00 0.00 C ATOM 884 OD1 ASN A 59 0.210 15.877 0.774 1.00 0.00 O ATOM 885 ND2 ASN A 59 2.398 15.642 0.299 1.00 0.00 N ATOM 0 H ASN A 59 0.805 11.289 1.599 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.210 13.923 2.337 1.00 0.00 H new ATOM 0 HB2 ASN A 59 2.048 13.254 1.070 1.00 0.00 H new ATOM 0 HB3 ASN A 59 1.005 13.232 -0.338 1.00 0.00 H new ATOM 0 HD21 ASN A 59 2.550 16.648 0.225 1.00 0.00 H new ATOM 0 HD22 ASN A 59 3.174 14.997 0.153 1.00 0.00 H new ATOM 892 N VAL A 60 -1.722 14.233 0.138 1.00 0.00 N ATOM 893 CA VAL A 60 -2.889 14.280 -0.726 1.00 0.00 C ATOM 894 C VAL A 60 -2.516 13.743 -2.110 1.00 0.00 C ATOM 895 O VAL A 60 -1.613 14.268 -2.760 1.00 0.00 O ATOM 896 CB VAL A 60 -3.453 15.701 -0.768 1.00 0.00 C ATOM 897 CG1 VAL A 60 -4.540 15.829 -1.837 1.00 0.00 C ATOM 898 CG2 VAL A 60 -3.981 16.123 0.605 1.00 0.00 C ATOM 0 H VAL A 60 -1.279 15.136 0.305 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.681 13.643 -0.333 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.640 16.376 -1.036 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.924 16.849 -1.845 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.119 15.592 -2.814 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.353 15.138 -1.614 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.376 17.137 0.547 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.774 15.442 0.915 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.170 16.091 1.332 1.00 0.00 H new ATOM 908 N GLY A 61 -3.230 12.705 -2.519 1.00 0.00 N ATOM 909 CA GLY A 61 -2.985 12.092 -3.813 1.00 0.00 C ATOM 910 C GLY A 61 -3.878 12.711 -4.891 1.00 0.00 C ATOM 911 O GLY A 61 -4.602 13.669 -4.627 1.00 0.00 O ATOM 0 H GLY A 61 -3.978 12.273 -1.977 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.938 12.218 -4.087 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -3.172 11.020 -3.753 1.00 0.00 H new ATOM 915 N LYS A 62 -3.796 12.137 -6.082 1.00 0.00 N ATOM 916 CA LYS A 62 -4.588 12.621 -7.201 1.00 0.00 C ATOM 917 C LYS A 62 -4.651 11.539 -8.281 1.00 0.00 C ATOM 918 O LYS A 62 -3.637 10.924 -8.608 1.00 0.00 O ATOM 919 CB LYS A 62 -4.044 13.960 -7.703 1.00 0.00 C ATOM 920 CG LYS A 62 -4.719 14.369 -9.014 1.00 0.00 C ATOM 921 CD LYS A 62 -4.136 15.680 -9.545 1.00 0.00 C ATOM 922 CE LYS A 62 -2.607 15.633 -9.561 1.00 0.00 C ATOM 923 NZ LYS A 62 -2.054 16.314 -8.369 1.00 0.00 N ATOM 0 H LYS A 62 -3.194 11.342 -6.297 1.00 0.00 H new ATOM 0 HA LYS A 62 -5.613 12.818 -6.886 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -4.210 14.730 -6.949 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.967 13.886 -7.852 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.588 13.581 -9.756 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -5.791 14.482 -8.855 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.508 15.866 -10.552 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.471 16.510 -8.923 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.270 14.597 -9.584 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -2.232 16.111 -10.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.221 15.794 -8.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -1.777 17.284 -8.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.775 16.343 -7.620 1.00 0.00 H new ATOM 937 N ASN A 63 -5.851 11.340 -8.805 1.00 0.00 N ATOM 938 CA ASN A 63 -6.060 10.343 -9.841 1.00 0.00 C ATOM 939 C ASN A 63 -5.740 10.958 -11.206 1.00 0.00 C ATOM 940 O ASN A 63 -6.210 12.049 -11.525 1.00 0.00 O ATOM 941 CB ASN A 63 -7.514 9.870 -9.865 1.00 0.00 C ATOM 942 CG ASN A 63 -7.790 8.886 -8.726 1.00 0.00 C ATOM 943 OD1 ASN A 63 -6.889 8.333 -8.117 1.00 0.00 O ATOM 944 ND2 ASN A 63 -9.082 8.700 -8.472 1.00 0.00 N ATOM 0 H ASN A 63 -6.689 11.853 -8.531 1.00 0.00 H new ATOM 0 HA ASN A 63 -5.409 9.495 -9.629 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.181 10.728 -9.778 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -7.730 9.394 -10.822 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -9.369 8.063 -7.729 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -9.786 9.195 -9.020 1.00 0.00 H new ATOM 951 N ILE A 64 -4.943 10.230 -11.974 1.00 0.00 N ATOM 952 CA ILE A 64 -4.555 10.690 -13.297 1.00 0.00 C ATOM 953 C ILE A 64 -5.630 10.288 -14.308 1.00 0.00 C ATOM 954 O ILE A 64 -5.454 10.467 -15.512 1.00 0.00 O ATOM 955 CB ILE A 64 -3.156 10.181 -13.652 1.00 0.00 C ATOM 956 CG1 ILE A 64 -3.211 8.741 -14.166 1.00 0.00 C ATOM 957 CG2 ILE A 64 -2.201 10.331 -12.467 1.00 0.00 C ATOM 958 CD1 ILE A 64 -1.834 8.278 -14.647 1.00 0.00 C ATOM 0 H ILE A 64 -4.555 9.325 -11.706 1.00 0.00 H new ATOM 0 HA ILE A 64 -4.489 11.778 -13.318 1.00 0.00 H new ATOM 0 HB ILE A 64 -2.763 10.797 -14.461 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.564 8.081 -13.373 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.929 8.670 -14.983 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.214 9.962 -12.746 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.130 11.382 -12.188 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.578 9.756 -11.621 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.901 7.251 -15.007 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.495 8.925 -15.456 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.125 8.327 -13.821 1.00 0.00 H new ATOM 970 N VAL A 65 -6.722 9.753 -13.781 1.00 0.00 N ATOM 971 CA VAL A 65 -7.826 9.324 -14.622 1.00 0.00 C ATOM 972 C VAL A 65 -8.778 10.501 -14.846 1.00 0.00 C ATOM 973 O VAL A 65 -9.113 10.825 -15.984 1.00 0.00 O ATOM 974 CB VAL A 65 -8.515 8.107 -14.001 1.00 0.00 C ATOM 975 CG1 VAL A 65 -9.806 7.766 -14.750 1.00 0.00 C ATOM 976 CG2 VAL A 65 -7.571 6.904 -13.960 1.00 0.00 C ATOM 0 H VAL A 65 -6.865 9.607 -12.782 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.462 9.010 -15.600 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.780 8.360 -12.974 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.276 6.897 -14.288 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.488 8.615 -14.704 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.574 7.543 -15.791 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.086 6.053 -13.514 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.261 6.650 -14.974 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.693 7.151 -13.363 1.00 0.00 H new ATOM 986 N THR A 66 -9.187 11.108 -13.741 1.00 0.00 N ATOM 987 CA THR A 66 -10.094 12.241 -13.802 1.00 0.00 C ATOM 988 C THR A 66 -9.363 13.530 -13.419 1.00 0.00 C ATOM 989 O THR A 66 -9.667 14.600 -13.945 1.00 0.00 O ATOM 990 CB THR A 66 -11.295 11.935 -12.906 1.00 0.00 C ATOM 991 OG1 THR A 66 -10.722 11.717 -11.619 1.00 0.00 O ATOM 992 CG2 THR A 66 -11.956 10.599 -13.250 1.00 0.00 C ATOM 0 H THR A 66 -8.907 10.836 -12.799 1.00 0.00 H new ATOM 0 HA THR A 66 -10.460 12.400 -14.816 1.00 0.00 H new ATOM 0 HB THR A 66 -12.028 12.737 -12.995 1.00 0.00 H new ATOM 0 HG1 THR A 66 -11.432 11.514 -10.975 1.00 0.00 H new ATOM 0 HG21 THR A 66 -12.803 10.430 -12.585 1.00 0.00 H new ATOM 0 HG22 THR A 66 -12.304 10.621 -14.283 1.00 0.00 H new ATOM 0 HG23 THR A 66 -11.232 9.793 -13.128 1.00 0.00 H new ATOM 1000 N GLY A 67 -8.414 13.385 -12.507 1.00 0.00 N ATOM 1001 CA GLY A 67 -7.637 14.524 -12.047 1.00 0.00 C ATOM 1002 C GLY A 67 -8.405 15.321 -10.991 1.00 0.00 C ATOM 1003 O GLY A 67 -8.320 16.548 -10.950 1.00 0.00 O ATOM 0 H GLY A 67 -8.165 12.496 -12.074 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -6.691 14.179 -11.630 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.397 15.170 -12.892 1.00 0.00 H new ATOM 1007 N LYS A 68 -9.138 14.592 -10.162 1.00 0.00 N ATOM 1008 CA LYS A 68 -9.921 15.215 -9.109 1.00 0.00 C ATOM 1009 C LYS A 68 -9.024 15.469 -7.896 1.00 0.00 C ATOM 1010 O LYS A 68 -8.330 16.483 -7.834 1.00 0.00 O ATOM 1011 CB LYS A 68 -11.160 14.375 -8.793 1.00 0.00 C ATOM 1012 CG LYS A 68 -12.274 14.638 -9.808 1.00 0.00 C ATOM 1013 CD LYS A 68 -13.415 15.438 -9.176 1.00 0.00 C ATOM 1014 CE LYS A 68 -14.775 14.863 -9.577 1.00 0.00 C ATOM 1015 NZ LYS A 68 -15.454 14.271 -8.402 1.00 0.00 N ATOM 0 H LYS A 68 -9.206 13.575 -10.199 1.00 0.00 H new ATOM 0 HA LYS A 68 -10.298 16.184 -9.437 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -10.898 13.317 -8.801 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -11.515 14.608 -7.789 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -11.872 15.184 -10.661 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -12.656 13.690 -10.187 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -13.316 15.424 -8.091 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -13.350 16.480 -9.489 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -15.397 15.649 -10.006 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -14.643 14.104 -10.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -16.375 13.885 -8.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -14.867 13.507 -8.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -15.597 15.004 -7.678 1.00 0.00 H new ATOM 1029 N GLU A 69 -9.068 14.531 -6.961 1.00 0.00 N ATOM 1030 CA GLU A 69 -8.269 14.641 -5.753 1.00 0.00 C ATOM 1031 C GLU A 69 -8.492 13.421 -4.856 1.00 0.00 C ATOM 1032 O GLU A 69 -9.622 13.128 -4.470 1.00 0.00 O ATOM 1033 CB GLU A 69 -8.582 15.937 -5.003 1.00 0.00 C ATOM 1034 CG GLU A 69 -9.899 15.820 -4.232 1.00 0.00 C ATOM 1035 CD GLU A 69 -10.280 17.156 -3.591 1.00 0.00 C ATOM 1036 OE1 GLU A 69 -9.590 17.536 -2.620 1.00 0.00 O ATOM 1037 OE2 GLU A 69 -11.251 17.766 -4.086 1.00 0.00 O ATOM 0 H GLU A 69 -9.645 13.691 -7.016 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.218 14.671 -6.039 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -7.771 16.166 -4.312 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.642 16.765 -5.710 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.692 15.497 -4.907 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.806 15.056 -3.460 1.00 0.00 H new ATOM 1044 N ILE A 70 -7.395 12.743 -4.551 1.00 0.00 N ATOM 1045 CA ILE A 70 -7.457 11.562 -3.707 1.00 0.00 C ATOM 1046 C ILE A 70 -6.829 11.877 -2.348 1.00 0.00 C ATOM 1047 O ILE A 70 -5.615 12.000 -2.203 1.00 0.00 O ATOM 1048 CB ILE A 70 -6.821 10.364 -4.415 1.00 0.00 C ATOM 1049 CG1 ILE A 70 -7.438 10.153 -5.799 1.00 0.00 C ATOM 1050 CG2 ILE A 70 -6.910 9.105 -3.550 1.00 0.00 C ATOM 1051 CD1 ILE A 70 -8.635 9.202 -5.726 1.00 0.00 C ATOM 0 H ILE A 70 -6.459 12.989 -4.873 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.494 11.281 -3.522 1.00 0.00 H new ATOM 0 HB ILE A 70 -5.763 10.578 -4.564 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -7.755 11.112 -6.210 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.688 9.748 -6.478 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -6.451 8.268 -4.077 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.387 9.273 -2.609 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.956 8.876 -3.348 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -9.055 9.069 -6.723 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -8.310 8.237 -5.338 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.394 9.622 -5.066 1.00 0.00 H new ATOM 1063 N PRO A 71 -7.697 12.008 -1.342 1.00 0.00 N ATOM 1064 CA PRO A 71 -7.323 12.304 0.024 1.00 0.00 C ATOM 1065 C PRO A 71 -6.215 11.359 0.467 1.00 0.00 C ATOM 1066 O PRO A 71 -5.962 10.347 -0.184 1.00 0.00 O ATOM 1067 CB PRO A 71 -8.596 12.074 0.837 1.00 0.00 C ATOM 1068 CG PRO A 71 -9.700 12.349 -0.144 1.00 0.00 C ATOM 1069 CD PRO A 71 -9.131 11.870 -1.477 1.00 0.00 C ATOM 0 HA PRO A 71 -6.945 13.319 0.150 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -8.647 11.055 1.222 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -8.648 12.742 1.696 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -10.611 11.811 0.118 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -9.953 13.409 -0.175 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -9.411 10.836 -1.677 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -9.509 12.469 -2.306 1.00 0.00 H new ATOM 1077 N PRO A 72 -5.552 11.692 1.577 1.00 0.00 N ATOM 1078 CA PRO A 72 -4.472 10.915 2.146 1.00 0.00 C ATOM 1079 C PRO A 72 -4.816 9.434 2.078 1.00 0.00 C ATOM 1080 O PRO A 72 -5.892 9.053 2.536 1.00 0.00 O ATOM 1081 CB PRO A 72 -4.370 11.388 3.594 1.00 0.00 C ATOM 1082 CG PRO A 72 -5.569 12.449 3.811 1.00 0.00 C ATOM 1083 CD PRO A 72 -5.824 12.873 2.367 1.00 0.00 C ATOM 0 HA PRO A 72 -3.529 11.046 1.615 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -4.463 10.550 4.284 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -3.402 11.851 3.784 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -6.447 11.995 4.272 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -5.273 13.286 4.444 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -6.851 13.211 2.230 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -5.175 13.700 2.078 1.00 0.00 H new ATOM 1091 N LEU A 73 -3.915 8.641 1.517 1.00 0.00 N ATOM 1092 CA LEU A 73 -4.147 7.211 1.400 1.00 0.00 C ATOM 1093 C LEU A 73 -3.735 6.524 2.704 1.00 0.00 C ATOM 1094 O LEU A 73 -4.280 5.480 3.059 1.00 0.00 O ATOM 1095 CB LEU A 73 -3.443 6.653 0.162 1.00 0.00 C ATOM 1096 CG LEU A 73 -3.459 5.131 0.010 1.00 0.00 C ATOM 1097 CD1 LEU A 73 -4.686 4.672 -0.781 1.00 0.00 C ATOM 1098 CD2 LEU A 73 -2.155 4.628 -0.613 1.00 0.00 C ATOM 0 H LEU A 73 -3.023 8.961 1.139 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.208 7.008 1.253 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.905 7.091 -0.723 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -2.405 6.986 0.178 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.532 4.689 1.004 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.673 3.586 -0.875 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.592 4.981 -0.259 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.668 5.122 -1.774 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.193 3.543 -0.710 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.026 5.076 -1.598 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.316 4.906 0.025 1.00 0.00 H new ATOM 1110 N ALA A 74 -2.776 7.138 3.382 1.00 0.00 N ATOM 1111 CA ALA A 74 -2.285 6.599 4.638 1.00 0.00 C ATOM 1112 C ALA A 74 -3.452 5.992 5.419 1.00 0.00 C ATOM 1113 O ALA A 74 -4.193 6.675 6.122 1.00 0.00 O ATOM 1114 CB ALA A 74 -1.570 7.701 5.422 1.00 0.00 C ATOM 0 H ALA A 74 -2.326 8.004 3.085 1.00 0.00 H new ATOM 0 HA ALA A 74 -1.561 5.805 4.457 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.202 7.296 6.365 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.732 8.078 4.837 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.267 8.514 5.624 1.00 0.00 H new ATOM 1120 N PRO A 75 -3.600 4.673 5.276 1.00 0.00 N ATOM 1121 CA PRO A 75 -4.634 3.893 5.923 1.00 0.00 C ATOM 1122 C PRO A 75 -4.398 3.881 7.426 1.00 0.00 C ATOM 1123 O PRO A 75 -4.329 2.799 8.008 1.00 0.00 O ATOM 1124 CB PRO A 75 -4.493 2.491 5.335 1.00 0.00 C ATOM 1125 CG PRO A 75 -3.620 2.649 4.064 1.00 0.00 C ATOM 1126 CD PRO A 75 -2.747 3.838 4.457 1.00 0.00 C ATOM 0 HA PRO A 75 -5.634 4.296 5.761 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -4.025 1.813 6.049 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -5.468 2.071 5.089 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -3.031 1.756 3.855 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -4.218 2.852 3.176 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -1.864 3.515 5.008 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -2.394 4.377 3.578 1.00 0.00 H new ATOM 1134 N ARG A 76 -4.280 5.060 8.019 1.00 0.00 N ATOM 1135 CA ARG A 76 -4.052 5.158 9.451 1.00 0.00 C ATOM 1136 C ARG A 76 -4.297 6.590 9.930 1.00 0.00 C ATOM 1137 O ARG A 76 -5.070 6.813 10.861 1.00 0.00 O ATOM 1138 CB ARG A 76 -2.623 4.745 9.810 1.00 0.00 C ATOM 1139 CG ARG A 76 -2.471 4.558 11.321 1.00 0.00 C ATOM 1140 CD ARG A 76 -1.067 4.954 11.783 1.00 0.00 C ATOM 1141 NE ARG A 76 -0.867 4.554 13.194 1.00 0.00 N ATOM 1142 CZ ARG A 76 0.334 4.378 13.762 1.00 0.00 C ATOM 1143 NH1 ARG A 76 1.449 4.565 13.044 1.00 0.00 N ATOM 1144 NH2 ARG A 76 0.419 4.015 15.050 1.00 0.00 N ATOM 0 H ARG A 76 -4.338 5.955 7.534 1.00 0.00 H new ATOM 0 HA ARG A 76 -4.749 4.481 9.945 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -2.369 3.817 9.298 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.923 5.504 9.461 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -3.213 5.162 11.842 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.665 3.518 11.584 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -0.319 4.475 11.151 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -0.931 6.030 11.679 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.695 4.403 13.770 1.00 0.00 H new ATOM 0 HH11 ARG A 76 1.384 4.842 12.064 1.00 0.00 H new ATOM 0 HH12 ARG A 76 2.363 4.431 13.477 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.430 3.873 15.597 1.00 0.00 H new ATOM 0 HH22 ARG A 76 1.333 3.881 15.483 1.00 0.00 H new ATOM 1158 N VAL A 77 -3.625 7.524 9.273 1.00 0.00 N ATOM 1159 CA VAL A 77 -3.760 8.928 9.620 1.00 0.00 C ATOM 1160 C VAL A 77 -5.240 9.258 9.826 1.00 0.00 C ATOM 1161 O VAL A 77 -5.596 9.976 10.759 1.00 0.00 O ATOM 1162 CB VAL A 77 -3.098 9.798 8.550 1.00 0.00 C ATOM 1163 CG1 VAL A 77 -3.600 11.241 8.628 1.00 0.00 C ATOM 1164 CG2 VAL A 77 -1.573 9.741 8.664 1.00 0.00 C ATOM 0 H VAL A 77 -2.985 7.335 8.502 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.245 9.140 10.557 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.377 9.399 7.575 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -3.113 11.838 7.856 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.679 11.260 8.475 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -3.366 11.655 9.609 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.127 10.368 7.892 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.268 10.102 9.646 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.237 8.712 8.535 1.00 0.00 H new ATOM 1174 N ASN A 78 -6.063 8.717 8.940 1.00 0.00 N ATOM 1175 CA ASN A 78 -7.496 8.945 9.013 1.00 0.00 C ATOM 1176 C ASN A 78 -8.144 7.832 9.840 1.00 0.00 C ATOM 1177 O ASN A 78 -7.622 6.720 9.908 1.00 0.00 O ATOM 1178 CB ASN A 78 -8.129 8.927 7.620 1.00 0.00 C ATOM 1179 CG ASN A 78 -7.238 9.645 6.604 1.00 0.00 C ATOM 1180 OD1 ASN A 78 -6.186 10.174 6.926 1.00 0.00 O ATOM 1181 ND2 ASN A 78 -7.715 9.634 5.363 1.00 0.00 N ATOM 0 H ASN A 78 -5.765 8.121 8.168 1.00 0.00 H new ATOM 0 HA ASN A 78 -7.659 9.921 9.471 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -8.291 7.897 7.303 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -9.107 9.407 7.655 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -7.194 10.086 4.612 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -8.602 9.173 5.162 1.00 0.00 H new ATOM 1188 N THR A 79 -9.271 8.170 10.448 1.00 0.00 N ATOM 1189 CA THR A 79 -9.995 7.213 11.268 1.00 0.00 C ATOM 1190 C THR A 79 -11.066 6.503 10.438 1.00 0.00 C ATOM 1191 O THR A 79 -11.833 5.698 10.965 1.00 0.00 O ATOM 1192 CB THR A 79 -10.560 7.959 12.478 1.00 0.00 C ATOM 1193 OG1 THR A 79 -10.901 9.245 11.966 1.00 0.00 O ATOM 1194 CG2 THR A 79 -9.493 8.251 13.536 1.00 0.00 C ATOM 0 H THR A 79 -9.701 9.093 10.390 1.00 0.00 H new ATOM 0 HA THR A 79 -9.335 6.426 11.633 1.00 0.00 H new ATOM 0 HB THR A 79 -11.363 7.372 12.924 1.00 0.00 H new ATOM 0 HG1 THR A 79 -11.449 9.141 11.160 1.00 0.00 H new ATOM 0 HG21 THR A 79 -9.946 8.782 14.373 1.00 0.00 H new ATOM 0 HG22 THR A 79 -9.065 7.313 13.890 1.00 0.00 H new ATOM 0 HG23 THR A 79 -8.707 8.867 13.099 1.00 0.00 H new ATOM 1202 N LYS A 80 -11.085 6.827 9.153 1.00 0.00 N ATOM 1203 CA LYS A 80 -12.050 6.230 8.245 1.00 0.00 C ATOM 1204 C LYS A 80 -11.307 5.539 7.101 1.00 0.00 C ATOM 1205 O LYS A 80 -11.676 5.687 5.937 1.00 0.00 O ATOM 1206 CB LYS A 80 -13.064 7.275 7.778 1.00 0.00 C ATOM 1207 CG LYS A 80 -12.389 8.349 6.922 1.00 0.00 C ATOM 1208 CD LYS A 80 -12.877 9.746 7.310 1.00 0.00 C ATOM 1209 CE LYS A 80 -11.726 10.755 7.288 1.00 0.00 C ATOM 1210 NZ LYS A 80 -11.533 11.349 8.629 1.00 0.00 N ATOM 0 H LYS A 80 -10.448 7.495 8.719 1.00 0.00 H new ATOM 0 HA LYS A 80 -12.631 5.463 8.757 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -13.853 6.790 7.204 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -13.538 7.739 8.643 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -11.308 8.291 7.045 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -12.600 8.166 5.869 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -13.659 10.066 6.622 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -13.321 9.717 8.305 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -10.808 10.262 6.966 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -11.937 11.541 6.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -10.749 12.031 8.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -12.404 11.836 8.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -11.310 10.598 9.313 1.00 0.00 H new ATOM 1224 N ARG A 81 -10.272 4.798 7.471 1.00 0.00 N ATOM 1225 CA ARG A 81 -9.474 4.084 6.489 1.00 0.00 C ATOM 1226 C ARG A 81 -8.969 2.764 7.075 1.00 0.00 C ATOM 1227 O ARG A 81 -8.679 2.680 8.268 1.00 0.00 O ATOM 1228 CB ARG A 81 -8.277 4.923 6.036 1.00 0.00 C ATOM 1229 CG ARG A 81 -8.735 6.136 5.224 1.00 0.00 C ATOM 1230 CD ARG A 81 -8.907 5.774 3.747 1.00 0.00 C ATOM 1231 NE ARG A 81 -8.649 6.962 2.902 1.00 0.00 N ATOM 1232 CZ ARG A 81 -9.580 7.871 2.580 1.00 0.00 C ATOM 1233 NH1 ARG A 81 -10.834 7.734 3.031 1.00 0.00 N ATOM 1234 NH2 ARG A 81 -9.255 8.916 1.807 1.00 0.00 N ATOM 0 H ARG A 81 -9.968 4.677 8.437 1.00 0.00 H new ATOM 0 HA ARG A 81 -10.110 3.884 5.627 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -7.711 5.256 6.906 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -7.606 4.310 5.434 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -9.678 6.510 5.623 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -8.006 6.940 5.322 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -8.221 4.971 3.479 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -9.917 5.404 3.570 1.00 0.00 H new ATOM 0 HE ARG A 81 -7.704 7.097 2.543 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -11.080 6.938 3.619 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -11.542 8.426 2.786 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -8.300 9.019 1.464 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -9.963 9.608 1.561 1.00 0.00 H new ATOM 1248 N PHE A 82 -8.879 1.765 6.209 1.00 0.00 N ATOM 1249 CA PHE A 82 -8.414 0.453 6.626 1.00 0.00 C ATOM 1250 C PHE A 82 -9.267 -0.093 7.773 1.00 0.00 C ATOM 1251 O PHE A 82 -8.737 -0.626 8.746 1.00 0.00 O ATOM 1252 CB PHE A 82 -6.974 0.622 7.113 1.00 0.00 C ATOM 1253 CG PHE A 82 -5.923 0.049 6.160 1.00 0.00 C ATOM 1254 CD1 PHE A 82 -6.208 -0.088 4.837 1.00 0.00 C ATOM 1255 CD2 PHE A 82 -4.705 -0.323 6.635 1.00 0.00 C ATOM 1256 CE1 PHE A 82 -5.232 -0.620 3.952 1.00 0.00 C ATOM 1257 CE2 PHE A 82 -3.729 -0.855 5.751 1.00 0.00 C ATOM 1258 CZ PHE A 82 -4.014 -0.992 4.428 1.00 0.00 C ATOM 0 H PHE A 82 -9.120 1.838 5.221 1.00 0.00 H new ATOM 0 HA PHE A 82 -8.482 -0.247 5.793 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -6.774 1.683 7.262 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -6.871 0.138 8.084 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -7.176 0.207 4.459 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.479 -0.214 7.685 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -5.458 -0.729 2.901 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.761 -1.151 6.129 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.272 -1.397 3.755 1.00 0.00 H new ATOM 1268 N THR A 83 -10.575 0.060 7.620 1.00 0.00 N ATOM 1269 CA THR A 83 -11.506 -0.410 8.631 1.00 0.00 C ATOM 1270 C THR A 83 -12.489 -1.414 8.025 1.00 0.00 C ATOM 1271 O THR A 83 -13.700 -1.202 8.062 1.00 0.00 O ATOM 1272 CB THR A 83 -12.189 0.811 9.249 1.00 0.00 C ATOM 1273 OG1 THR A 83 -11.270 1.258 10.242 1.00 0.00 O ATOM 1274 CG2 THR A 83 -13.444 0.441 10.043 1.00 0.00 C ATOM 0 H THR A 83 -11.011 0.503 6.811 1.00 0.00 H new ATOM 0 HA THR A 83 -10.989 -0.948 9.425 1.00 0.00 H new ATOM 0 HB THR A 83 -12.453 1.516 8.461 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.634 2.049 10.692 1.00 0.00 H new ATOM 0 HG21 THR A 83 -13.890 1.344 10.460 1.00 0.00 H new ATOM 0 HG22 THR A 83 -14.162 -0.046 9.383 1.00 0.00 H new ATOM 0 HG23 THR A 83 -13.176 -0.238 10.852 1.00 0.00 H new ATOM 1282 N ASP A 84 -11.931 -2.486 7.481 1.00 0.00 N ATOM 1283 CA ASP A 84 -12.743 -3.523 6.868 1.00 0.00 C ATOM 1284 C ASP A 84 -11.828 -4.595 6.271 1.00 0.00 C ATOM 1285 O ASP A 84 -11.773 -4.761 5.054 1.00 0.00 O ATOM 1286 CB ASP A 84 -13.603 -2.953 5.738 1.00 0.00 C ATOM 1287 CG ASP A 84 -12.823 -2.460 4.517 1.00 0.00 C ATOM 1288 OD1 ASP A 84 -11.597 -2.267 4.667 1.00 0.00 O ATOM 1289 OD2 ASP A 84 -13.471 -2.287 3.462 1.00 0.00 O ATOM 0 H ASP A 84 -10.926 -2.658 7.452 1.00 0.00 H new ATOM 0 HA ASP A 84 -13.391 -3.943 7.637 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -14.307 -3.720 5.415 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -14.192 -2.125 6.132 1.00 0.00 H new ATOM 1294 N ILE A 85 -11.133 -5.294 7.156 1.00 0.00 N ATOM 1295 CA ILE A 85 -10.224 -6.345 6.733 1.00 0.00 C ATOM 1296 C ILE A 85 -10.854 -7.121 5.574 1.00 0.00 C ATOM 1297 O ILE A 85 -10.204 -7.362 4.558 1.00 0.00 O ATOM 1298 CB ILE A 85 -9.831 -7.224 7.921 1.00 0.00 C ATOM 1299 CG1 ILE A 85 -9.046 -6.422 8.961 1.00 0.00 C ATOM 1300 CG2 ILE A 85 -9.065 -8.464 7.456 1.00 0.00 C ATOM 1301 CD1 ILE A 85 -9.471 -6.802 10.381 1.00 0.00 C ATOM 0 H ILE A 85 -11.181 -5.153 8.165 1.00 0.00 H new ATOM 0 HA ILE A 85 -9.293 -5.917 6.362 1.00 0.00 H new ATOM 0 HB ILE A 85 -10.744 -7.572 8.405 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.979 -6.604 8.836 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -9.208 -5.356 8.802 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -8.797 -9.072 8.320 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -9.692 -9.048 6.782 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -8.159 -8.157 6.934 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -8.898 -6.218 11.101 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -10.534 -6.596 10.510 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -9.285 -7.863 10.545 1.00 0.00 H new ATOM 1313 N ASP A 86 -12.111 -7.492 5.767 1.00 0.00 N ATOM 1314 CA ASP A 86 -12.835 -8.236 4.751 1.00 0.00 C ATOM 1315 C ASP A 86 -12.507 -7.660 3.372 1.00 0.00 C ATOM 1316 O ASP A 86 -12.023 -8.375 2.496 1.00 0.00 O ATOM 1317 CB ASP A 86 -14.347 -8.127 4.961 1.00 0.00 C ATOM 1318 CG ASP A 86 -14.892 -8.917 6.153 1.00 0.00 C ATOM 1319 OD1 ASP A 86 -14.788 -8.387 7.280 1.00 0.00 O ATOM 1320 OD2 ASP A 86 -15.401 -10.033 5.910 1.00 0.00 O ATOM 0 H ASP A 86 -12.646 -7.291 6.612 1.00 0.00 H new ATOM 0 HA ASP A 86 -12.535 -9.282 4.821 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -14.606 -7.076 5.092 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -14.850 -8.469 4.057 1.00 0.00 H new ATOM 1325 N LYS A 87 -12.785 -6.373 3.222 1.00 0.00 N ATOM 1326 CA LYS A 87 -12.526 -5.693 1.964 1.00 0.00 C ATOM 1327 C LYS A 87 -11.232 -4.885 2.084 1.00 0.00 C ATOM 1328 O LYS A 87 -11.238 -3.772 2.607 1.00 0.00 O ATOM 1329 CB LYS A 87 -13.737 -4.857 1.548 1.00 0.00 C ATOM 1330 CG LYS A 87 -14.631 -5.631 0.577 1.00 0.00 C ATOM 1331 CD LYS A 87 -16.043 -5.795 1.144 1.00 0.00 C ATOM 1332 CE LYS A 87 -16.889 -6.707 0.253 1.00 0.00 C ATOM 1333 NZ LYS A 87 -18.302 -6.268 0.255 1.00 0.00 N ATOM 0 H LYS A 87 -13.187 -5.783 3.951 1.00 0.00 H new ATOM 0 HA LYS A 87 -12.377 -6.417 1.163 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.311 -4.577 2.431 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -13.401 -3.932 1.080 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -14.677 -5.106 -0.377 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -14.198 -6.612 0.381 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -15.989 -6.212 2.150 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -16.520 -4.819 1.229 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -16.499 -6.694 -0.765 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -16.821 -7.736 0.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -18.862 -6.898 -0.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -18.675 -6.303 1.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -18.363 -5.294 -0.104 1.00 0.00 H new ATOM 1347 N VAL A 88 -10.155 -5.477 1.590 1.00 0.00 N ATOM 1348 CA VAL A 88 -8.856 -4.826 1.635 1.00 0.00 C ATOM 1349 C VAL A 88 -7.785 -5.799 1.138 1.00 0.00 C ATOM 1350 O VAL A 88 -6.819 -5.390 0.496 1.00 0.00 O ATOM 1351 CB VAL A 88 -8.581 -4.305 3.047 1.00 0.00 C ATOM 1352 CG1 VAL A 88 -7.373 -5.011 3.666 1.00 0.00 C ATOM 1353 CG2 VAL A 88 -8.387 -2.787 3.043 1.00 0.00 C ATOM 0 H VAL A 88 -10.155 -6.400 1.156 1.00 0.00 H new ATOM 0 HA VAL A 88 -8.840 -3.960 0.974 1.00 0.00 H new ATOM 0 HB VAL A 88 -9.452 -4.530 3.663 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -7.199 -4.622 4.669 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -7.566 -6.082 3.720 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.492 -4.832 3.050 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -8.193 -2.442 4.059 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -7.542 -2.530 2.405 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -9.288 -2.306 2.663 1.00 0.00 H new ATOM 1363 N GLU A 89 -7.993 -7.069 1.453 1.00 0.00 N ATOM 1364 CA GLU A 89 -7.057 -8.104 1.046 1.00 0.00 C ATOM 1365 C GLU A 89 -7.162 -8.352 -0.460 1.00 0.00 C ATOM 1366 O GLU A 89 -6.148 -8.421 -1.153 1.00 0.00 O ATOM 1367 CB GLU A 89 -7.292 -9.396 1.832 1.00 0.00 C ATOM 1368 CG GLU A 89 -7.054 -9.178 3.327 1.00 0.00 C ATOM 1369 CD GLU A 89 -8.105 -9.913 4.162 1.00 0.00 C ATOM 1370 OE1 GLU A 89 -9.304 -9.690 3.889 1.00 0.00 O ATOM 1371 OE2 GLU A 89 -7.685 -10.681 5.055 1.00 0.00 O ATOM 0 H GLU A 89 -8.796 -7.405 1.985 1.00 0.00 H new ATOM 0 HA GLU A 89 -6.047 -7.761 1.269 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -8.312 -9.745 1.669 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.626 -10.176 1.464 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -6.059 -9.531 3.596 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -7.086 -8.112 3.552 1.00 0.00 H new ATOM 1378 N ASP A 90 -8.397 -8.478 -0.922 1.00 0.00 N ATOM 1379 CA ASP A 90 -8.647 -8.717 -2.333 1.00 0.00 C ATOM 1380 C ASP A 90 -8.417 -7.421 -3.114 1.00 0.00 C ATOM 1381 O ASP A 90 -7.774 -7.430 -4.162 1.00 0.00 O ATOM 1382 CB ASP A 90 -10.092 -9.161 -2.569 1.00 0.00 C ATOM 1383 CG ASP A 90 -10.579 -10.289 -1.658 1.00 0.00 C ATOM 1384 OD1 ASP A 90 -10.358 -11.460 -2.036 1.00 0.00 O ATOM 1385 OD2 ASP A 90 -11.162 -9.955 -0.603 1.00 0.00 O ATOM 0 H ASP A 90 -9.235 -8.419 -0.344 1.00 0.00 H new ATOM 0 HA ASP A 90 -7.969 -9.503 -2.667 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -10.747 -8.300 -2.437 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -10.193 -9.482 -3.606 1.00 0.00 H new ATOM 1390 N GLU A 91 -8.956 -6.338 -2.573 1.00 0.00 N ATOM 1391 CA GLU A 91 -8.817 -5.038 -3.205 1.00 0.00 C ATOM 1392 C GLU A 91 -7.341 -4.726 -3.461 1.00 0.00 C ATOM 1393 O GLU A 91 -7.016 -3.890 -4.302 1.00 0.00 O ATOM 1394 CB GLU A 91 -9.469 -3.944 -2.358 1.00 0.00 C ATOM 1395 CG GLU A 91 -10.989 -3.944 -2.536 1.00 0.00 C ATOM 1396 CD GLU A 91 -11.419 -2.913 -3.581 1.00 0.00 C ATOM 1397 OE1 GLU A 91 -10.876 -1.789 -3.526 1.00 0.00 O ATOM 1398 OE2 GLU A 91 -12.281 -3.272 -4.411 1.00 0.00 O ATOM 0 H GLU A 91 -9.490 -6.335 -1.704 1.00 0.00 H new ATOM 0 HA GLU A 91 -9.334 -5.066 -4.164 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -9.222 -4.097 -1.307 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.066 -2.972 -2.641 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -11.323 -4.936 -2.840 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -11.470 -3.724 -1.583 1.00 0.00 H new ATOM 1405 N PHE A 92 -6.487 -5.416 -2.720 1.00 0.00 N ATOM 1406 CA PHE A 92 -5.053 -5.224 -2.856 1.00 0.00 C ATOM 1407 C PHE A 92 -4.487 -6.096 -3.978 1.00 0.00 C ATOM 1408 O PHE A 92 -3.451 -5.774 -4.558 1.00 0.00 O ATOM 1409 CB PHE A 92 -4.417 -5.644 -1.529 1.00 0.00 C ATOM 1410 CG PHE A 92 -3.638 -4.527 -0.832 1.00 0.00 C ATOM 1411 CD1 PHE A 92 -2.748 -3.777 -1.535 1.00 0.00 C ATOM 1412 CD2 PHE A 92 -3.835 -4.285 0.492 1.00 0.00 C ATOM 1413 CE1 PHE A 92 -2.024 -2.741 -0.888 1.00 0.00 C ATOM 1414 CE2 PHE A 92 -3.112 -3.248 1.139 1.00 0.00 C ATOM 1415 CZ PHE A 92 -2.222 -2.498 0.436 1.00 0.00 C ATOM 0 H PHE A 92 -6.760 -6.109 -2.023 1.00 0.00 H new ATOM 0 HA PHE A 92 -4.839 -4.183 -3.098 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.200 -6.000 -0.859 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -3.746 -6.484 -1.709 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.592 -3.969 -2.586 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.541 -4.881 1.051 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.316 -2.146 -1.447 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.269 -3.055 2.190 1.00 0.00 H new ATOM 0 HZ PHE A 92 -1.672 -1.710 0.928 1.00 0.00 H new ATOM 1425 N THR A 93 -5.191 -7.185 -4.251 1.00 0.00 N ATOM 1426 CA THR A 93 -4.772 -8.106 -5.293 1.00 0.00 C ATOM 1427 C THR A 93 -5.367 -7.694 -6.641 1.00 0.00 C ATOM 1428 O THR A 93 -4.765 -7.929 -7.687 1.00 0.00 O ATOM 1429 CB THR A 93 -5.167 -9.520 -4.861 1.00 0.00 C ATOM 1430 OG1 THR A 93 -4.019 -10.006 -4.172 1.00 0.00 O ATOM 1431 CG2 THR A 93 -5.321 -10.473 -6.048 1.00 0.00 C ATOM 0 H THR A 93 -6.049 -7.450 -3.768 1.00 0.00 H new ATOM 0 HA THR A 93 -3.691 -8.082 -5.430 1.00 0.00 H new ATOM 0 HB THR A 93 -6.103 -9.481 -4.303 1.00 0.00 H new ATOM 0 HG1 THR A 93 -3.960 -10.978 -4.280 1.00 0.00 H new ATOM 0 HG21 THR A 93 -5.602 -11.462 -5.686 1.00 0.00 H new ATOM 0 HG22 THR A 93 -6.095 -10.098 -6.718 1.00 0.00 H new ATOM 0 HG23 THR A 93 -4.376 -10.539 -6.587 1.00 0.00 H new ATOM 1439 N LYS A 94 -6.542 -7.086 -6.571 1.00 0.00 N ATOM 1440 CA LYS A 94 -7.226 -6.639 -7.773 1.00 0.00 C ATOM 1441 C LYS A 94 -6.564 -5.357 -8.283 1.00 0.00 C ATOM 1442 O LYS A 94 -6.511 -5.111 -9.486 1.00 0.00 O ATOM 1443 CB LYS A 94 -8.727 -6.494 -7.513 1.00 0.00 C ATOM 1444 CG LYS A 94 -9.294 -7.757 -6.862 1.00 0.00 C ATOM 1445 CD LYS A 94 -10.165 -8.539 -7.847 1.00 0.00 C ATOM 1446 CE LYS A 94 -11.592 -8.690 -7.318 1.00 0.00 C ATOM 1447 NZ LYS A 94 -12.338 -9.689 -8.115 1.00 0.00 N ATOM 0 H LYS A 94 -7.038 -6.892 -5.701 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.133 -7.384 -8.564 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -8.907 -5.635 -6.866 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -9.246 -6.300 -8.452 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -8.477 -8.389 -6.513 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -9.883 -7.486 -5.986 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -10.182 -8.026 -8.809 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -9.731 -9.524 -8.019 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -11.568 -8.995 -6.272 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -12.104 -7.729 -7.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -13.305 -9.779 -7.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -12.377 -9.382 -9.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -11.857 -10.609 -8.056 1.00 0.00 H new ATOM 1461 N HIS A 95 -6.069 -4.562 -7.334 1.00 0.00 N ATOM 1462 CA HIS A 95 -5.402 -3.298 -7.629 1.00 0.00 C ATOM 1463 C HIS A 95 -4.080 -3.568 -8.370 1.00 0.00 C ATOM 1464 O HIS A 95 -3.858 -3.101 -9.485 1.00 0.00 O ATOM 1465 CB HIS A 95 -5.244 -2.504 -6.324 1.00 0.00 C ATOM 1466 CG HIS A 95 -4.841 -1.054 -6.456 1.00 0.00 C ATOM 1467 ND1 HIS A 95 -4.845 -0.409 -7.626 1.00 0.00 N ATOM 1468 CD2 HIS A 95 -4.419 -0.141 -5.518 1.00 0.00 C ATOM 1469 CE1 HIS A 95 -4.442 0.855 -7.427 1.00 0.00 C ATOM 1470 NE2 HIS A 95 -4.165 1.074 -6.142 1.00 0.00 N ATOM 0 H HIS A 95 -6.120 -4.778 -6.339 1.00 0.00 H new ATOM 0 HA HIS A 95 -5.997 -2.680 -8.301 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -6.190 -2.546 -5.783 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -4.501 -3.009 -5.707 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -5.111 -0.812 -8.524 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -4.303 -0.338 -4.462 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -4.354 1.598 -8.206 1.00 0.00 H new ATOM 1478 N CYS A 96 -3.206 -4.338 -7.718 1.00 0.00 N ATOM 1479 CA CYS A 96 -1.917 -4.685 -8.282 1.00 0.00 C ATOM 1480 C CYS A 96 -2.116 -5.358 -9.632 1.00 0.00 C ATOM 1481 O CYS A 96 -1.212 -5.293 -10.464 1.00 0.00 O ATOM 1482 CB CYS A 96 -1.174 -5.608 -7.320 1.00 0.00 C ATOM 1483 SG CYS A 96 -0.501 -4.615 -5.965 1.00 0.00 S ATOM 0 H CYS A 96 -3.377 -4.731 -6.793 1.00 0.00 H new ATOM 0 HA CYS A 96 -1.322 -3.784 -8.430 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -1.849 -6.370 -6.931 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -0.371 -6.129 -7.841 1.00 0.00 H new ATOM 1488 N ASN A 97 -3.270 -5.981 -9.825 1.00 0.00 N ATOM 1489 CA ASN A 97 -3.556 -6.654 -11.080 1.00 0.00 C ATOM 1490 C ASN A 97 -4.000 -5.621 -12.118 1.00 0.00 C ATOM 1491 O ASN A 97 -4.078 -5.925 -13.307 1.00 0.00 O ATOM 1492 CB ASN A 97 -4.686 -7.672 -10.913 1.00 0.00 C ATOM 1493 CG ASN A 97 -4.160 -9.102 -11.052 1.00 0.00 C ATOM 1494 OD1 ASN A 97 -3.654 -9.507 -12.085 1.00 0.00 O ATOM 1495 ND2 ASN A 97 -4.308 -9.842 -9.957 1.00 0.00 N ATOM 0 H ASN A 97 -4.017 -6.033 -9.133 1.00 0.00 H new ATOM 0 HA ASN A 97 -2.651 -7.169 -11.401 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -5.153 -7.546 -9.936 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -5.458 -7.490 -11.661 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -3.989 -10.811 -9.949 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -4.740 -9.441 -9.125 1.00 0.00 H new ATOM 1502 N ASP A 98 -4.280 -4.422 -11.630 1.00 0.00 N ATOM 1503 CA ASP A 98 -4.714 -3.342 -12.501 1.00 0.00 C ATOM 1504 C ASP A 98 -3.695 -2.202 -12.439 1.00 0.00 C ATOM 1505 O ASP A 98 -3.928 -1.127 -12.988 1.00 0.00 O ATOM 1506 CB ASP A 98 -6.070 -2.789 -12.058 1.00 0.00 C ATOM 1507 CG ASP A 98 -7.148 -2.776 -13.143 1.00 0.00 C ATOM 1508 OD1 ASP A 98 -6.948 -2.040 -14.134 1.00 0.00 O ATOM 1509 OD2 ASP A 98 -8.149 -3.502 -12.958 1.00 0.00 O ATOM 0 H ASP A 98 -4.215 -4.174 -10.643 1.00 0.00 H new ATOM 0 HA ASP A 98 -4.799 -3.738 -13.513 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -6.430 -3.381 -11.217 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -5.929 -1.771 -11.694 1.00 0.00 H new ATOM 1514 N ILE A 99 -2.588 -2.477 -11.766 1.00 0.00 N ATOM 1515 CA ILE A 99 -1.533 -1.487 -11.625 1.00 0.00 C ATOM 1516 C ILE A 99 -0.216 -2.077 -12.134 1.00 0.00 C ATOM 1517 O ILE A 99 0.517 -1.421 -12.874 1.00 0.00 O ATOM 1518 CB ILE A 99 -1.463 -0.980 -10.184 1.00 0.00 C ATOM 1519 CG1 ILE A 99 -2.773 -0.301 -9.777 1.00 0.00 C ATOM 1520 CG2 ILE A 99 -0.256 -0.061 -9.984 1.00 0.00 C ATOM 1521 CD1 ILE A 99 -3.046 0.928 -10.646 1.00 0.00 C ATOM 0 H ILE A 99 -2.398 -3.371 -11.312 1.00 0.00 H new ATOM 0 HA ILE A 99 -1.748 -0.611 -12.236 1.00 0.00 H new ATOM 0 HB ILE A 99 -1.327 -1.839 -9.526 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -3.598 -1.008 -9.871 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.724 -0.006 -8.729 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -0.230 0.286 -8.951 1.00 0.00 H new ATOM 0 HG22 ILE A 99 0.660 -0.609 -10.206 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -0.337 0.796 -10.652 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -3.982 1.392 -10.336 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -2.231 1.643 -10.531 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -3.119 0.626 -11.691 1.00 0.00 H new ATOM 1533 N LEU A 100 0.045 -3.307 -11.718 1.00 0.00 N ATOM 1534 CA LEU A 100 1.261 -3.992 -12.122 1.00 0.00 C ATOM 1535 C LEU A 100 0.925 -5.023 -13.201 1.00 0.00 C ATOM 1536 O LEU A 100 1.762 -5.338 -14.046 1.00 0.00 O ATOM 1537 CB LEU A 100 1.972 -4.586 -10.904 1.00 0.00 C ATOM 1538 CG LEU A 100 2.714 -3.591 -10.010 1.00 0.00 C ATOM 1539 CD1 LEU A 100 3.342 -4.298 -8.807 1.00 0.00 C ATOM 1540 CD2 LEU A 100 3.748 -2.798 -10.813 1.00 0.00 C ATOM 0 H LEU A 100 -0.565 -3.848 -11.105 1.00 0.00 H new ATOM 0 HA LEU A 100 1.967 -3.287 -12.562 1.00 0.00 H new ATOM 0 HB2 LEU A 100 1.234 -5.110 -10.297 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.685 -5.333 -11.253 1.00 0.00 H new ATOM 0 HG LEU A 100 1.990 -2.875 -9.621 1.00 0.00 H new ATOM 0 HD11 LEU A 100 3.863 -3.568 -8.188 1.00 0.00 H new ATOM 0 HD12 LEU A 100 2.561 -4.780 -8.220 1.00 0.00 H new ATOM 0 HD13 LEU A 100 4.050 -5.050 -9.156 1.00 0.00 H new ATOM 0 HD21 LEU A 100 4.261 -2.098 -10.154 1.00 0.00 H new ATOM 0 HD22 LEU A 100 4.474 -3.484 -11.250 1.00 0.00 H new ATOM 0 HD23 LEU A 100 3.246 -2.247 -11.608 1.00 0.00 H new ATOM 1552 N GLY A 101 -0.301 -5.521 -13.139 1.00 0.00 N ATOM 1553 CA GLY A 101 -0.758 -6.510 -14.100 1.00 0.00 C ATOM 1554 C GLY A 101 -0.803 -7.904 -13.473 1.00 0.00 C ATOM 1555 O GLY A 101 -0.979 -8.899 -14.174 1.00 0.00 O ATOM 0 H GLY A 101 -0.993 -5.258 -12.437 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -1.749 -6.239 -14.463 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -0.093 -6.517 -14.964 1.00 0.00 H new ATOM 1559 N ALA A 102 -0.642 -7.932 -12.158 1.00 0.00 N ATOM 1560 CA ALA A 102 -0.663 -9.188 -11.428 1.00 0.00 C ATOM 1561 C ALA A 102 -0.850 -8.903 -9.936 1.00 0.00 C ATOM 1562 O ALA A 102 -1.060 -7.758 -9.541 1.00 0.00 O ATOM 1563 CB ALA A 102 0.622 -9.968 -11.716 1.00 0.00 C ATOM 0 H ALA A 102 -0.496 -7.105 -11.579 1.00 0.00 H new ATOM 0 HA ALA A 102 -1.500 -9.807 -11.753 1.00 0.00 H new ATOM 0 HB1 ALA A 102 0.606 -10.910 -11.168 1.00 0.00 H new ATOM 0 HB2 ALA A 102 0.693 -10.171 -12.785 1.00 0.00 H new ATOM 0 HB3 ALA A 102 1.483 -9.379 -11.400 1.00 0.00 H new ATOM 1569 N ASP A 103 -0.766 -9.965 -9.149 1.00 0.00 N ATOM 1570 CA ASP A 103 -0.924 -9.844 -7.709 1.00 0.00 C ATOM 1571 C ASP A 103 0.437 -9.544 -7.076 1.00 0.00 C ATOM 1572 O ASP A 103 1.412 -10.270 -7.253 1.00 0.00 O ATOM 1573 CB ASP A 103 -1.453 -11.144 -7.101 1.00 0.00 C ATOM 1574 CG ASP A 103 -2.169 -10.986 -5.759 1.00 0.00 C ATOM 1575 OD1 ASP A 103 -1.780 -10.061 -5.013 1.00 0.00 O ATOM 1576 OD2 ASP A 103 -3.090 -11.792 -5.508 1.00 0.00 O ATOM 0 H ASP A 103 -0.591 -10.913 -9.481 1.00 0.00 H new ATOM 0 HA ASP A 103 -1.634 -9.041 -7.513 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -2.140 -11.606 -7.810 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -0.618 -11.833 -6.971 1.00 0.00 H new ATOM 1581 N CYS A 104 0.478 -8.443 -6.322 1.00 0.00 N ATOM 1582 CA CYS A 104 1.688 -8.017 -5.649 1.00 0.00 C ATOM 1583 C CYS A 104 2.226 -9.157 -4.795 1.00 0.00 C ATOM 1584 O CYS A 104 1.485 -10.105 -4.541 1.00 0.00 O ATOM 1585 CB CYS A 104 1.388 -6.791 -4.791 1.00 0.00 C ATOM 1586 SG CYS A 104 1.426 -5.321 -5.846 1.00 0.00 S ATOM 0 H CYS A 104 -0.324 -7.832 -6.167 1.00 0.00 H new ATOM 0 HA CYS A 104 2.446 -7.749 -6.385 1.00 0.00 H new ATOM 0 HB2 CYS A 104 0.411 -6.891 -4.317 1.00 0.00 H new ATOM 0 HB3 CYS A 104 2.123 -6.701 -3.991 1.00 0.00 H new ATOM 1591 N SER A 105 3.478 -9.049 -4.376 1.00 0.00 N ATOM 1592 CA SER A 105 4.084 -10.084 -3.556 1.00 0.00 C ATOM 1593 C SER A 105 3.581 -9.971 -2.115 1.00 0.00 C ATOM 1594 O SER A 105 3.355 -8.885 -1.586 1.00 0.00 O ATOM 1595 CB SER A 105 5.610 -9.994 -3.594 1.00 0.00 C ATOM 1596 OG SER A 105 6.227 -11.096 -2.933 1.00 0.00 O ATOM 0 H SER A 105 4.089 -8.261 -4.589 1.00 0.00 H new ATOM 0 HA SER A 105 3.795 -11.054 -3.960 1.00 0.00 H new ATOM 0 HB2 SER A 105 5.945 -9.959 -4.631 1.00 0.00 H new ATOM 0 HB3 SER A 105 5.930 -9.064 -3.124 1.00 0.00 H new ATOM 0 HG SER A 105 6.775 -10.767 -2.190 1.00 0.00 H new ATOM 1602 N PRO A 106 3.410 -11.135 -1.484 1.00 0.00 N ATOM 1603 CA PRO A 106 2.946 -11.262 -0.119 1.00 0.00 C ATOM 1604 C PRO A 106 3.963 -10.640 0.827 1.00 0.00 C ATOM 1605 O PRO A 106 3.659 -10.486 2.009 1.00 0.00 O ATOM 1606 CB PRO A 106 2.829 -12.767 0.116 1.00 0.00 C ATOM 1607 CG PRO A 106 3.928 -13.359 -0.891 1.00 0.00 C ATOM 1608 CD PRO A 106 3.667 -12.430 -2.075 1.00 0.00 C ATOM 0 HA PRO A 106 1.998 -10.754 0.055 1.00 0.00 H new ATOM 0 HB2 PRO A 106 3.041 -13.034 1.151 1.00 0.00 H new ATOM 0 HB3 PRO A 106 1.829 -13.137 -0.111 1.00 0.00 H new ATOM 0 HG2 PRO A 106 4.944 -13.278 -0.505 1.00 0.00 H new ATOM 0 HG3 PRO A 106 3.761 -14.409 -1.131 1.00 0.00 H new ATOM 0 HD2 PRO A 106 4.525 -12.395 -2.746 1.00 0.00 H new ATOM 0 HD3 PRO A 106 2.816 -12.771 -2.664 1.00 0.00 H new ATOM 1616 N SER A 107 5.132 -10.301 0.303 1.00 0.00 N ATOM 1617 CA SER A 107 6.173 -9.701 1.120 1.00 0.00 C ATOM 1618 C SER A 107 6.197 -8.186 0.908 1.00 0.00 C ATOM 1619 O SER A 107 6.248 -7.422 1.870 1.00 0.00 O ATOM 1620 CB SER A 107 7.542 -10.303 0.797 1.00 0.00 C ATOM 1621 OG SER A 107 8.021 -9.888 -0.479 1.00 0.00 O ATOM 0 H SER A 107 5.381 -10.431 -0.678 1.00 0.00 H new ATOM 0 HA SER A 107 5.950 -9.912 2.166 1.00 0.00 H new ATOM 0 HB2 SER A 107 8.257 -10.010 1.565 1.00 0.00 H new ATOM 0 HB3 SER A 107 7.475 -11.391 0.823 1.00 0.00 H new ATOM 0 HG SER A 107 8.898 -10.293 -0.647 1.00 0.00 H new ATOM 1627 N GLU A 108 6.158 -7.797 -0.358 1.00 0.00 N ATOM 1628 CA GLU A 108 6.174 -6.387 -0.708 1.00 0.00 C ATOM 1629 C GLU A 108 4.884 -5.709 -0.241 1.00 0.00 C ATOM 1630 O GLU A 108 4.765 -4.486 -0.300 1.00 0.00 O ATOM 1631 CB GLU A 108 6.378 -6.198 -2.213 1.00 0.00 C ATOM 1632 CG GLU A 108 5.204 -6.779 -3.003 1.00 0.00 C ATOM 1633 CD GLU A 108 4.204 -5.686 -3.384 1.00 0.00 C ATOM 1634 OE1 GLU A 108 3.731 -5.000 -2.452 1.00 0.00 O ATOM 1635 OE2 GLU A 108 3.935 -5.561 -4.598 1.00 0.00 O ATOM 0 H GLU A 108 6.115 -8.434 -1.154 1.00 0.00 H new ATOM 0 HA GLU A 108 7.014 -5.916 -0.198 1.00 0.00 H new ATOM 0 HB2 GLU A 108 6.483 -5.137 -2.439 1.00 0.00 H new ATOM 0 HB3 GLU A 108 7.304 -6.683 -2.522 1.00 0.00 H new ATOM 0 HG2 GLU A 108 5.574 -7.268 -3.904 1.00 0.00 H new ATOM 0 HG3 GLU A 108 4.704 -7.543 -2.408 1.00 0.00 H new ATOM 1642 N LYS A 109 3.952 -6.533 0.214 1.00 0.00 N ATOM 1643 CA LYS A 109 2.676 -6.028 0.692 1.00 0.00 C ATOM 1644 C LYS A 109 2.757 -5.796 2.202 1.00 0.00 C ATOM 1645 O LYS A 109 2.654 -4.661 2.666 1.00 0.00 O ATOM 1646 CB LYS A 109 1.539 -6.963 0.273 1.00 0.00 C ATOM 1647 CG LYS A 109 0.177 -6.360 0.623 1.00 0.00 C ATOM 1648 CD LYS A 109 -0.527 -5.833 -0.629 1.00 0.00 C ATOM 1649 CE LYS A 109 -0.950 -6.983 -1.546 1.00 0.00 C ATOM 1650 NZ LYS A 109 -1.881 -7.892 -0.841 1.00 0.00 N ATOM 0 H LYS A 109 4.055 -7.547 0.262 1.00 0.00 H new ATOM 0 HA LYS A 109 2.451 -5.065 0.233 1.00 0.00 H new ATOM 0 HB2 LYS A 109 1.593 -7.150 -0.799 1.00 0.00 H new ATOM 0 HB3 LYS A 109 1.653 -7.926 0.770 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -0.446 -7.114 1.105 1.00 0.00 H new ATOM 0 HG3 LYS A 109 0.308 -5.549 1.340 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -1.403 -5.252 -0.341 1.00 0.00 H new ATOM 0 HD3 LYS A 109 0.139 -5.159 -1.168 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -1.429 -6.585 -2.441 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -0.070 -7.537 -1.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -2.427 -8.439 -1.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -1.340 -8.543 -0.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -2.532 -7.334 -0.252 1.00 0.00 H new ATOM 1664 N ALA A 110 2.941 -6.889 2.927 1.00 0.00 N ATOM 1665 CA ALA A 110 3.037 -6.819 4.376 1.00 0.00 C ATOM 1666 C ALA A 110 3.996 -5.693 4.765 1.00 0.00 C ATOM 1667 O ALA A 110 3.900 -5.142 5.860 1.00 0.00 O ATOM 1668 CB ALA A 110 3.480 -8.177 4.924 1.00 0.00 C ATOM 0 H ALA A 110 3.026 -7.828 2.539 1.00 0.00 H new ATOM 0 HA ALA A 110 2.066 -6.591 4.815 1.00 0.00 H new ATOM 0 HB1 ALA A 110 3.552 -8.125 6.010 1.00 0.00 H new ATOM 0 HB2 ALA A 110 2.751 -8.937 4.645 1.00 0.00 H new ATOM 0 HB3 ALA A 110 4.453 -8.437 4.508 1.00 0.00 H new ATOM 1674 N ASN A 111 4.899 -5.383 3.846 1.00 0.00 N ATOM 1675 CA ASN A 111 5.874 -4.332 4.079 1.00 0.00 C ATOM 1676 C ASN A 111 5.182 -2.970 3.988 1.00 0.00 C ATOM 1677 O ASN A 111 5.209 -2.191 4.939 1.00 0.00 O ATOM 1678 CB ASN A 111 6.986 -4.369 3.029 1.00 0.00 C ATOM 1679 CG ASN A 111 8.247 -3.668 3.539 1.00 0.00 C ATOM 1680 OD1 ASN A 111 9.278 -4.279 3.766 1.00 0.00 O ATOM 1681 ND2 ASN A 111 8.106 -2.357 3.708 1.00 0.00 N ATOM 0 H ASN A 111 4.976 -5.842 2.938 1.00 0.00 H new ATOM 0 HA ASN A 111 6.307 -4.487 5.067 1.00 0.00 H new ATOM 0 HB2 ASN A 111 7.218 -5.404 2.776 1.00 0.00 H new ATOM 0 HB3 ASN A 111 6.643 -3.887 2.114 1.00 0.00 H new ATOM 0 HD21 ASN A 111 8.890 -1.799 4.047 1.00 0.00 H new ATOM 0 HD22 ASN A 111 7.214 -1.909 3.498 1.00 0.00 H new ATOM 1688 N PHE A 112 4.578 -2.725 2.834 1.00 0.00 N ATOM 1689 CA PHE A 112 3.881 -1.472 2.606 1.00 0.00 C ATOM 1690 C PHE A 112 2.891 -1.181 3.736 1.00 0.00 C ATOM 1691 O PHE A 112 2.802 -0.051 4.213 1.00 0.00 O ATOM 1692 CB PHE A 112 3.108 -1.622 1.294 1.00 0.00 C ATOM 1693 CG PHE A 112 2.367 -0.356 0.859 1.00 0.00 C ATOM 1694 CD1 PHE A 112 3.058 0.794 0.637 1.00 0.00 C ATOM 1695 CD2 PHE A 112 1.017 -0.380 0.695 1.00 0.00 C ATOM 1696 CE1 PHE A 112 2.371 1.969 0.234 1.00 0.00 C ATOM 1697 CE2 PHE A 112 0.329 0.795 0.292 1.00 0.00 C ATOM 1698 CZ PHE A 112 1.021 1.945 0.070 1.00 0.00 C ATOM 0 H PHE A 112 4.557 -3.374 2.047 1.00 0.00 H new ATOM 0 HA PHE A 112 4.597 -0.651 2.565 1.00 0.00 H new ATOM 0 HB2 PHE A 112 3.803 -1.912 0.506 1.00 0.00 H new ATOM 0 HB3 PHE A 112 2.388 -2.434 1.399 1.00 0.00 H new ATOM 0 HD1 PHE A 112 4.130 0.813 0.767 1.00 0.00 H new ATOM 0 HD2 PHE A 112 0.468 -1.293 0.871 1.00 0.00 H new ATOM 0 HE1 PHE A 112 2.920 2.882 0.058 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -0.743 0.776 0.162 1.00 0.00 H new ATOM 0 HZ PHE A 112 0.498 2.839 -0.237 1.00 0.00 H new ATOM 1708 N ILE A 113 2.173 -2.221 4.133 1.00 0.00 N ATOM 1709 CA ILE A 113 1.194 -2.092 5.198 1.00 0.00 C ATOM 1710 C ILE A 113 1.873 -1.519 6.443 1.00 0.00 C ATOM 1711 O ILE A 113 1.261 -0.764 7.197 1.00 0.00 O ATOM 1712 CB ILE A 113 0.489 -3.428 5.443 1.00 0.00 C ATOM 1713 CG1 ILE A 113 -0.644 -3.643 4.436 1.00 0.00 C ATOM 1714 CG2 ILE A 113 -0.002 -3.533 6.888 1.00 0.00 C ATOM 1715 CD1 ILE A 113 -0.516 -5.003 3.749 1.00 0.00 C ATOM 0 H ILE A 113 2.250 -3.157 3.736 1.00 0.00 H new ATOM 0 HA ILE A 113 0.410 -1.392 4.911 1.00 0.00 H new ATOM 0 HB ILE A 113 1.213 -4.229 5.290 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -1.605 -3.578 4.946 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -0.626 -2.851 3.688 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -0.499 -4.492 7.035 1.00 0.00 H new ATOM 0 HG22 ILE A 113 0.847 -3.457 7.567 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -0.704 -2.725 7.093 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.333 -5.130 3.039 1.00 0.00 H new ATOM 0 HD12 ILE A 113 0.436 -5.055 3.220 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -0.559 -5.794 4.497 1.00 0.00 H new ATOM 1727 N ALA A 114 3.130 -1.899 6.620 1.00 0.00 N ATOM 1728 CA ALA A 114 3.900 -1.432 7.761 1.00 0.00 C ATOM 1729 C ALA A 114 4.221 0.053 7.580 1.00 0.00 C ATOM 1730 O ALA A 114 3.762 0.916 8.324 1.00 0.00 O ATOM 1731 CB ALA A 114 5.160 -2.287 7.911 1.00 0.00 C ATOM 0 H ALA A 114 3.635 -2.525 5.992 1.00 0.00 H new ATOM 0 HA ALA A 114 3.325 -1.535 8.681 1.00 0.00 H new ATOM 0 HB1 ALA A 114 5.738 -1.937 8.767 1.00 0.00 H new ATOM 0 HB2 ALA A 114 4.877 -3.328 8.066 1.00 0.00 H new ATOM 0 HB3 ALA A 114 5.764 -2.206 7.008 1.00 0.00 H new ATOM 1737 N TYR A 115 5.034 0.334 6.558 1.00 0.00 N ATOM 1738 CA TYR A 115 5.435 1.693 6.254 1.00 0.00 C ATOM 1739 C TYR A 115 4.229 2.617 6.330 1.00 0.00 C ATOM 1740 O TYR A 115 4.394 3.783 6.687 1.00 0.00 O ATOM 1741 CB TYR A 115 6.064 1.737 4.865 1.00 0.00 C ATOM 1742 CG TYR A 115 7.255 2.660 4.771 1.00 0.00 C ATOM 1743 CD1 TYR A 115 7.091 4.037 4.960 1.00 0.00 C ATOM 1744 CD2 TYR A 115 8.525 2.138 4.496 1.00 0.00 C ATOM 1745 CE1 TYR A 115 8.195 4.893 4.874 1.00 0.00 C ATOM 1746 CE2 TYR A 115 9.630 2.994 4.409 1.00 0.00 C ATOM 1747 CZ TYR A 115 9.465 4.371 4.599 1.00 0.00 C ATOM 1748 OH TYR A 115 10.541 5.205 4.515 1.00 0.00 O ATOM 0 H TYR A 115 5.424 -0.370 5.931 1.00 0.00 H new ATOM 0 HA TYR A 115 6.171 2.031 6.983 1.00 0.00 H new ATOM 0 HB2 TYR A 115 6.372 0.730 4.582 1.00 0.00 H new ATOM 0 HB3 TYR A 115 5.311 2.054 4.144 1.00 0.00 H new ATOM 0 HD1 TYR A 115 6.112 4.439 5.172 1.00 0.00 H new ATOM 0 HD2 TYR A 115 8.652 1.075 4.351 1.00 0.00 H new ATOM 0 HE1 TYR A 115 8.067 5.956 5.020 1.00 0.00 H new ATOM 0 HE2 TYR A 115 10.609 2.592 4.195 1.00 0.00 H new ATOM 0 HH TYR A 115 11.367 4.679 4.558 1.00 0.00 H new ATOM 1758 N LEU A 116 3.057 2.092 6.000 1.00 0.00 N ATOM 1759 CA LEU A 116 1.843 2.889 6.039 1.00 0.00 C ATOM 1760 C LEU A 116 1.415 3.089 7.494 1.00 0.00 C ATOM 1761 O LEU A 116 1.013 4.185 7.882 1.00 0.00 O ATOM 1762 CB LEU A 116 0.761 2.258 5.161 1.00 0.00 C ATOM 1763 CG LEU A 116 0.799 2.632 3.677 1.00 0.00 C ATOM 1764 CD1 LEU A 116 -0.168 1.764 2.869 1.00 0.00 C ATOM 1765 CD2 LEU A 116 0.531 4.125 3.480 1.00 0.00 C ATOM 0 H LEU A 116 2.923 1.125 5.705 1.00 0.00 H new ATOM 0 HA LEU A 116 2.024 3.879 5.621 1.00 0.00 H new ATOM 0 HB2 LEU A 116 0.840 1.174 5.244 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -0.213 2.539 5.561 1.00 0.00 H new ATOM 0 HG LEU A 116 1.802 2.434 3.300 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -0.122 2.050 1.818 1.00 0.00 H new ATOM 0 HD12 LEU A 116 0.111 0.715 2.973 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -1.183 1.908 3.240 1.00 0.00 H new ATOM 0 HD21 LEU A 116 0.564 4.363 2.417 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -0.453 4.374 3.877 1.00 0.00 H new ATOM 0 HD23 LEU A 116 1.291 4.703 4.005 1.00 0.00 H new ATOM 1777 N LEU A 117 1.516 2.012 8.260 1.00 0.00 N ATOM 1778 CA LEU A 117 1.145 2.056 9.665 1.00 0.00 C ATOM 1779 C LEU A 117 2.379 2.393 10.504 1.00 0.00 C ATOM 1780 O LEU A 117 2.473 1.993 11.663 1.00 0.00 O ATOM 1781 CB LEU A 117 0.457 0.752 10.077 1.00 0.00 C ATOM 1782 CG LEU A 117 1.385 -0.408 10.443 1.00 0.00 C ATOM 1783 CD1 LEU A 117 1.627 -0.462 11.952 1.00 0.00 C ATOM 1784 CD2 LEU A 117 0.844 -1.734 9.902 1.00 0.00 C ATOM 0 H LEU A 117 1.849 1.104 7.935 1.00 0.00 H new ATOM 0 HA LEU A 117 0.415 2.845 9.843 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -0.188 0.959 10.931 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -0.189 0.431 9.260 1.00 0.00 H new ATOM 0 HG LEU A 117 2.351 -0.235 9.968 1.00 0.00 H new ATOM 0 HD11 LEU A 117 2.290 -1.296 12.185 1.00 0.00 H new ATOM 0 HD12 LEU A 117 2.087 0.470 12.280 1.00 0.00 H new ATOM 0 HD13 LEU A 117 0.677 -0.599 12.468 1.00 0.00 H new ATOM 0 HD21 LEU A 117 1.522 -2.542 10.176 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -0.141 -1.926 10.328 1.00 0.00 H new ATOM 0 HD23 LEU A 117 0.765 -1.679 8.816 1.00 0.00 H new ATOM 1796 N THR A 118 3.294 3.124 9.885 1.00 0.00 N ATOM 1797 CA THR A 118 4.518 3.520 10.561 1.00 0.00 C ATOM 1798 C THR A 118 4.621 5.044 10.629 1.00 0.00 C ATOM 1799 O THR A 118 4.642 5.621 11.715 1.00 0.00 O ATOM 1800 CB THR A 118 5.693 2.862 9.834 1.00 0.00 C ATOM 1801 OG1 THR A 118 5.696 1.523 10.319 1.00 0.00 O ATOM 1802 CG2 THR A 118 7.045 3.423 10.280 1.00 0.00 C ATOM 0 H THR A 118 3.213 3.453 8.923 1.00 0.00 H new ATOM 0 HA THR A 118 4.526 3.180 11.597 1.00 0.00 H new ATOM 0 HB THR A 118 5.579 3.001 8.759 1.00 0.00 H new ATOM 0 HG1 THR A 118 5.044 0.992 9.817 1.00 0.00 H new ATOM 0 HG21 THR A 118 7.845 2.922 9.734 1.00 0.00 H new ATOM 0 HG22 THR A 118 7.080 4.493 10.075 1.00 0.00 H new ATOM 0 HG23 THR A 118 7.174 3.254 11.349 1.00 0.00 H new ATOM 1810 N GLU A 119 4.684 5.654 9.454 1.00 0.00 N ATOM 1811 CA GLU A 119 4.784 7.101 9.366 1.00 0.00 C ATOM 1812 C GLU A 119 3.449 7.749 9.735 1.00 0.00 C ATOM 1813 O GLU A 119 2.421 7.450 9.129 1.00 0.00 O ATOM 1814 CB GLU A 119 5.238 7.535 7.971 1.00 0.00 C ATOM 1815 CG GLU A 119 6.571 6.884 7.600 1.00 0.00 C ATOM 1816 CD GLU A 119 7.573 7.928 7.103 1.00 0.00 C ATOM 1817 OE1 GLU A 119 7.428 8.340 5.932 1.00 0.00 O ATOM 1818 OE2 GLU A 119 8.460 8.292 7.905 1.00 0.00 O ATOM 0 H GLU A 119 4.668 5.172 8.555 1.00 0.00 H new ATOM 0 HA GLU A 119 5.537 7.438 10.078 1.00 0.00 H new ATOM 0 HB2 GLU A 119 4.480 7.263 7.237 1.00 0.00 H new ATOM 0 HB3 GLU A 119 5.338 8.620 7.939 1.00 0.00 H new ATOM 0 HG2 GLU A 119 6.980 6.366 8.467 1.00 0.00 H new ATOM 0 HG3 GLU A 119 6.410 6.133 6.827 1.00 0.00 H new ATOM 1825 N THR A 120 3.507 8.625 10.728 1.00 0.00 N ATOM 1826 CA THR A 120 2.314 9.318 11.185 1.00 0.00 C ATOM 1827 C THR A 120 2.520 10.833 11.120 1.00 0.00 C ATOM 1828 O THR A 120 2.239 11.543 12.083 1.00 0.00 O ATOM 1829 CB THR A 120 1.981 8.810 12.589 1.00 0.00 C ATOM 1830 OG1 THR A 120 3.083 9.240 13.384 1.00 0.00 O ATOM 1831 CG2 THR A 120 2.025 7.284 12.685 1.00 0.00 C ATOM 0 H THR A 120 4.361 8.871 11.229 1.00 0.00 H new ATOM 0 HA THR A 120 1.462 9.109 10.538 1.00 0.00 H new ATOM 0 HB THR A 120 0.991 9.163 12.878 1.00 0.00 H new ATOM 0 HG1 THR A 120 2.948 8.954 14.312 1.00 0.00 H new ATOM 0 HG21 THR A 120 1.781 6.976 13.702 1.00 0.00 H new ATOM 0 HG22 THR A 120 1.301 6.855 11.992 1.00 0.00 H new ATOM 0 HG23 THR A 120 3.024 6.932 12.429 1.00 0.00 H new ATOM 1839 N LYS A 121 3.009 11.283 9.973 1.00 0.00 N ATOM 1840 CA LYS A 121 3.256 12.700 9.770 1.00 0.00 C ATOM 1841 C LYS A 121 3.491 12.964 8.281 1.00 0.00 C ATOM 1842 O LYS A 121 4.476 12.528 7.689 1.00 0.00 O ATOM 1843 CB LYS A 121 4.399 13.179 10.667 1.00 0.00 C ATOM 1844 CG LYS A 121 5.716 12.501 10.286 1.00 0.00 C ATOM 1845 CD LYS A 121 6.340 11.798 11.494 1.00 0.00 C ATOM 1846 CE LYS A 121 7.740 11.277 11.163 1.00 0.00 C ATOM 1847 NZ LYS A 121 8.494 10.990 12.404 1.00 0.00 N ATOM 0 H LYS A 121 3.241 10.691 9.175 1.00 0.00 H new ATOM 0 HA LYS A 121 2.384 13.284 10.065 1.00 0.00 H new ATOM 0 HB2 LYS A 121 4.505 14.260 10.581 1.00 0.00 H new ATOM 0 HB3 LYS A 121 4.163 12.963 11.709 1.00 0.00 H new ATOM 0 HG2 LYS A 121 5.540 11.777 9.490 1.00 0.00 H new ATOM 0 HG3 LYS A 121 6.411 13.243 9.893 1.00 0.00 H new ATOM 0 HD2 LYS A 121 6.395 12.491 12.334 1.00 0.00 H new ATOM 0 HD3 LYS A 121 5.704 10.969 11.805 1.00 0.00 H new ATOM 0 HE2 LYS A 121 7.664 10.373 10.559 1.00 0.00 H new ATOM 0 HE3 LYS A 121 8.277 12.014 10.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 9.442 10.637 12.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 8.582 11.861 12.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 7.989 10.270 12.959 1.00 0.00 H new ATOM 1861 N PRO A 122 2.550 13.697 7.682 1.00 0.00 N ATOM 1862 CA PRO A 122 2.572 14.068 6.284 1.00 0.00 C ATOM 1863 C PRO A 122 3.951 14.596 5.917 1.00 0.00 C ATOM 1864 O PRO A 122 4.789 14.737 6.806 1.00 0.00 O ATOM 1865 CB PRO A 122 1.514 15.161 6.152 1.00 0.00 C ATOM 1866 CG PRO A 122 0.561 14.887 7.242 1.00 0.00 C ATOM 1867 CD PRO A 122 1.379 14.225 8.349 1.00 0.00 C ATOM 0 HA PRO A 122 2.366 13.229 5.619 1.00 0.00 H new ATOM 0 HB2 PRO A 122 1.954 16.153 6.250 1.00 0.00 H new ATOM 0 HB3 PRO A 122 1.025 15.124 5.179 1.00 0.00 H new ATOM 0 HG2 PRO A 122 0.096 15.807 7.596 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -0.243 14.233 6.904 1.00 0.00 H new ATOM 0 HD2 PRO A 122 1.654 14.944 9.121 1.00 0.00 H new ATOM 0 HD3 PRO A 122 0.813 13.433 8.839 1.00 0.00 H new ATOM 1875 N THR A 123 4.160 14.872 4.638 1.00 0.00 N ATOM 1876 CA THR A 123 5.443 15.379 4.182 1.00 0.00 C ATOM 1877 C THR A 123 5.725 16.750 4.800 1.00 0.00 C ATOM 1878 O THR A 123 6.809 16.984 5.332 1.00 0.00 O ATOM 1879 CB THR A 123 5.429 15.394 2.652 1.00 0.00 C ATOM 1880 OG1 THR A 123 5.617 14.029 2.289 1.00 0.00 O ATOM 1881 CG2 THR A 123 6.647 16.108 2.062 1.00 0.00 C ATOM 0 H THR A 123 3.462 14.754 3.903 1.00 0.00 H new ATOM 0 HA THR A 123 6.260 14.736 4.508 1.00 0.00 H new ATOM 0 HB THR A 123 4.519 15.881 2.303 1.00 0.00 H new ATOM 0 HG1 THR A 123 5.619 13.948 1.312 1.00 0.00 H new ATOM 0 HG21 THR A 123 6.588 16.090 0.974 1.00 0.00 H new ATOM 0 HG22 THR A 123 6.665 17.142 2.407 1.00 0.00 H new ATOM 0 HG23 THR A 123 7.557 15.602 2.384 1.00 0.00 H new ATOM 1889 N LYS A 124 4.729 17.620 4.711 1.00 0.00 N ATOM 1890 CA LYS A 124 4.857 18.961 5.255 1.00 0.00 C ATOM 1891 C LYS A 124 3.499 19.663 5.192 1.00 0.00 C ATOM 1892 O LYS A 124 2.624 19.264 4.424 1.00 0.00 O ATOM 1893 CB LYS A 124 5.977 19.723 4.545 1.00 0.00 C ATOM 1894 CG LYS A 124 5.562 20.112 3.125 1.00 0.00 C ATOM 1895 CD LYS A 124 6.769 20.129 2.186 1.00 0.00 C ATOM 1896 CE LYS A 124 7.390 21.526 2.117 1.00 0.00 C ATOM 1897 NZ LYS A 124 8.458 21.568 1.093 1.00 0.00 N ATOM 1898 OXT LYS A 124 3.331 20.645 5.947 1.00 0.00 O ATOM 0 H LYS A 124 3.831 17.422 4.270 1.00 0.00 H new ATOM 0 HA LYS A 124 5.147 18.920 6.305 1.00 0.00 H new ATOM 0 HB2 LYS A 124 6.228 20.619 5.112 1.00 0.00 H new ATOM 0 HB3 LYS A 124 6.875 19.106 4.509 1.00 0.00 H new ATOM 0 HG2 LYS A 124 4.818 19.407 2.754 1.00 0.00 H new ATOM 0 HG3 LYS A 124 5.092 21.095 3.136 1.00 0.00 H new ATOM 0 HD2 LYS A 124 7.514 19.413 2.532 1.00 0.00 H new ATOM 0 HD3 LYS A 124 6.463 19.813 1.189 1.00 0.00 H new ATOM 0 HE2 LYS A 124 6.621 22.261 1.879 1.00 0.00 H new ATOM 0 HE3 LYS A 124 7.800 21.797 3.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 8.869 22.523 1.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 9.199 20.880 1.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 8.057 21.330 0.163 1.00 0.00 H new TER 1912 LYS A 124 HETATM 1913 FE HEC A 125 -3.573 2.763 -5.393 1.00 0.00 FE HETATM 1914 CHA HEC A 125 -6.422 2.679 -3.443 1.00 0.00 C HETATM 1915 CHB HEC A 125 -1.894 0.939 -3.001 1.00 0.00 C HETATM 1916 CHC HEC A 125 -0.723 2.699 -7.389 1.00 0.00 C HETATM 1917 CHD HEC A 125 -5.228 4.713 -7.704 1.00 0.00 C HETATM 1918 NA HEC A 125 -4.051 2.009 -3.582 1.00 0.00 N HETATM 1919 C1A HEC A 125 -5.295 2.012 -2.974 1.00 0.00 C HETATM 1920 C2A HEC A 125 -5.265 1.217 -1.769 1.00 0.00 C HETATM 1921 C3A HEC A 125 -4.011 0.733 -1.643 1.00 0.00 C HETATM 1922 C4A HEC A 125 -3.252 1.224 -2.769 1.00 0.00 C HETATM 1923 CMA HEC A 125 -3.466 -0.150 -0.559 1.00 0.00 C HETATM 1924 CAA HEC A 125 -6.436 0.997 -0.856 1.00 0.00 C HETATM 1925 CBA HEC A 125 -6.528 2.002 0.289 1.00 0.00 C HETATM 1926 CGA HEC A 125 -5.275 1.966 1.151 1.00 0.00 C HETATM 1927 O1A HEC A 125 -5.357 1.367 2.246 1.00 0.00 O HETATM 1928 O2A HEC A 125 -4.259 2.537 0.701 1.00 0.00 O HETATM 1929 NB HEC A 125 -1.670 2.043 -5.195 1.00 0.00 N HETATM 1930 C1B HEC A 125 -1.225 1.200 -4.192 1.00 0.00 C HETATM 1931 C2B HEC A 125 0.046 0.618 -4.554 1.00 0.00 C HETATM 1932 C3B HEC A 125 0.373 1.104 -5.770 1.00 0.00 C HETATM 1933 C4B HEC A 125 -0.692 1.991 -6.173 1.00 0.00 C HETATM 1934 CMB HEC A 125 0.823 -0.344 -3.703 1.00 0.00 C HETATM 1935 CAB HEC A 125 1.599 0.807 -6.584 1.00 0.00 C HETATM 1936 CBB HEC A 125 1.881 -0.682 -6.760 1.00 0.00 C HETATM 1937 NC HEC A 125 -3.146 3.446 -7.261 1.00 0.00 N HETATM 1938 C1C HEC A 125 -1.900 3.442 -7.863 1.00 0.00 C HETATM 1939 C2C HEC A 125 -1.870 4.383 -8.958 1.00 0.00 C HETATM 1940 C3C HEC A 125 -3.090 4.956 -9.023 1.00 0.00 C HETATM 1941 C4C HEC A 125 -3.888 4.376 -7.969 1.00 0.00 C HETATM 1942 CMC HEC A 125 -0.680 4.643 -9.835 1.00 0.00 C HETATM 1943 CAC HEC A 125 -3.571 6.000 -9.988 1.00 0.00 C HETATM 1944 CBC HEC A 125 -3.522 5.564 -11.450 1.00 0.00 C HETATM 1945 ND HEC A 125 -5.426 3.553 -5.536 1.00 0.00 N HETATM 1946 C1D HEC A 125 -5.939 4.299 -6.583 1.00 0.00 C HETATM 1947 C2D HEC A 125 -7.333 4.595 -6.351 1.00 0.00 C HETATM 1948 C3D HEC A 125 -7.667 4.032 -5.170 1.00 0.00 C HETATM 1949 C4D HEC A 125 -6.483 3.383 -4.659 1.00 0.00 C HETATM 1950 CMD HEC A 125 -8.209 5.385 -7.279 1.00 0.00 C HETATM 1951 CAD HEC A 125 -9.001 4.052 -4.482 1.00 0.00 C HETATM 1952 CBD HEC A 125 -9.030 4.897 -3.211 1.00 0.00 C HETATM 1953 CGD HEC A 125 -10.247 5.811 -3.188 1.00 0.00 C HETATM 1954 O1D HEC A 125 -10.528 6.407 -4.251 1.00 0.00 O HETATM 1955 O2D HEC A 125 -10.873 5.897 -2.110 1.00 0.00 O HETATM 0 HMD3 HEC A 125 -7.796 6.386 -7.405 1.00 0.00 H new HETATM 0 HMD2 HEC A 125 -8.255 4.887 -8.248 1.00 0.00 H new HETATM 0 HMD1 HEC A 125 -9.213 5.456 -6.860 1.00 0.00 H new HETATM 0 HMC3 HEC A 125 0.150 4.999 -9.225 1.00 0.00 H new HETATM 0 HMC2 HEC A 125 -0.391 3.721 -10.339 1.00 0.00 H new HETATM 0 HMC1 HEC A 125 -0.934 5.398 -10.579 1.00 0.00 H new HETATM 0 HMB3 HEC A 125 1.068 0.128 -2.751 1.00 0.00 H new HETATM 0 HMB2 HEC A 125 0.223 -1.236 -3.522 1.00 0.00 H new HETATM 0 HMB1 HEC A 125 1.743 -0.623 -4.217 1.00 0.00 H new HETATM 0 HMA3 HEC A 125 -3.563 0.353 0.403 1.00 0.00 H new HETATM 0 HMA2 HEC A 125 -4.024 -1.086 -0.537 1.00 0.00 H new HETATM 0 HMA1 HEC A 125 -2.414 -0.359 -0.754 1.00 0.00 H new HETATM 0 HBD2 HEC A 125 -9.044 4.245 -2.338 1.00 0.00 H new HETATM 0 HBD1 HEC A 125 -8.121 5.495 -3.147 1.00 0.00 H new HETATM 0 HBC3 HEC A 125 -2.495 5.323 -11.723 1.00 0.00 H new HETATM 0 HBC2 HEC A 125 -4.151 4.684 -11.589 1.00 0.00 H new HETATM 0 HBC1 HEC A 125 -3.886 6.373 -12.083 1.00 0.00 H new HETATM 0 HBB3 HEC A 125 2.024 -1.143 -5.783 1.00 0.00 H new HETATM 0 HBB2 HEC A 125 1.038 -1.155 -7.264 1.00 0.00 H new HETATM 0 HBB1 HEC A 125 2.782 -0.813 -7.359 1.00 0.00 H new HETATM 0 HBA2 HEC A 125 -6.667 3.005 -0.114 1.00 0.00 H new HETATM 0 HBA1 HEC A 125 -7.402 1.781 0.902 1.00 0.00 H new HETATM 0 HAD2 HEC A 125 -9.751 4.432 -5.176 1.00 0.00 H new HETATM 0 HAD1 HEC A 125 -9.286 3.030 -4.233 1.00 0.00 H new HETATM 0 HAA2 HEC A 125 -7.354 1.044 -1.442 1.00 0.00 H new HETATM 0 HAA1 HEC A 125 -6.375 -0.008 -0.439 1.00 0.00 H new HETATM 0 HHD HEC A 125 -5.745 5.343 -8.428 1.00 0.00 H new HETATM 0 HHC HEC A 125 0.172 2.696 -8.012 1.00 0.00 H new HETATM 0 HHB HEC A 125 -1.326 0.482 -2.191 1.00 0.00 H new HETATM 0 HHA HEC A 125 -7.320 2.654 -2.825 1.00 0.00 H new HETATM 0 H2D HEC A 125 -11.629 6.511 -2.219 1.00 0.00 H new HETATM 0 H2A HEC A 125 -3.479 2.289 1.240 1.00 0.00 H new