USER MOD reduce.3.24.130724 H: found=0, std=0, add=981, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 980 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 78 LYS NZ :NH3+ -156:sc= -0.0169 (180deg=-0.142) USER MOD Set 1.2: A 79 ASN : amide:sc= 0.182 K(o=0.17,f=-5.8!) USER MOD Set 2.1: A 73 CYS SG : rot 25:sc= -0.222 USER MOD Set 2.2: A 116 HIS : no HE2:sc= -3.52! C(o=-3.7!,f=-7.4!) USER MOD Set 3.1: A 56 THR OG1 : rot 180:sc=-0.00658 USER MOD Set 3.2: A 57 ASN : amide:sc= -0.833 K(o=-0.84,f=-3.1!) USER MOD Set 4.1: A 41 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0229) USER MOD Set 4.2: A 49 GLN :FLIP amide:sc= -0.0193 F(o=-1.1,f=-0.019) USER MOD Set 5.1: A 17 SER OG : rot 180:sc= 0.121 USER MOD Set 5.2: A 39 HIS : no HE2:sc= -0.0836 K(o=0.037,f=-2.9!) USER MOD Set 6.1: A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 6.2: A 107 LYS NZ :NH3+ 166:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 148:sc= -0.0662 (180deg=-1.06) USER MOD Single : A 16 TYR OH : rot -125:sc= 1.2 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -133:sc= -0.373 (180deg=-2.02!) USER MOD Single : A 28 ASN : amide:sc= -0.22 X(o=-0.22,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -169:sc= 1.1 (180deg=0.98) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.184 USER MOD Single : A 45 ASN : amide:sc= -0.0236 X(o=-0.024,f=-0.024) USER MOD Single : A 46 GLN : amide:sc= -0.0774 K(o=-0.077,f=-1) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot -120:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.138 X(o=-0.14,f=-0.55) USER MOD Single : A 64 ASN : amide:sc= -1.66! C(o=-1.7!,f=-3!) USER MOD Single : A 70 ASN : amide:sc= -0.507 K(o=-0.51,f=-6.6!) USER MOD Single : A 71 MET CE :methyl 153:sc= -0.452 (180deg=-2.74!) USER MOD Single : A 74 THR OG1 : rot 11:sc= -0.443 USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.111 USER MOD Single : A 80 ASN : amide:sc= -0.04 X(o=-0.04,f=-0.5) USER MOD Single : A 85 CYS SG : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -5.35! C(o=-5.4!,f=-16!) USER MOD Single : A 94 LYS NZ :NH3+ 149:sc= -0.25 (180deg=-1.26!) USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.0549 USER MOD Single : A 98 MET CE :methyl -152:sc= -0.017 (180deg=-0.133) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 MET CE :methyl 180:sc= -0.0564 (180deg=-0.0565) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 160:sc= -0.777 USER MOD Single : A 117 LYS NZ :NH3+ 163:sc= -0.015 (180deg=-0.24) USER MOD Single : A 122 LYS NZ :NH3+ 145:sc= 0.99 (180deg=0.198) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 8 11.210 18.704 -18.621 1.00 0.00 N ATOM 2 CA GLU A 8 9.766 18.612 -18.437 1.00 0.00 C ATOM 3 C GLU A 8 9.390 17.317 -17.722 1.00 0.00 C ATOM 4 O GLU A 8 10.119 16.327 -17.782 1.00 0.00 O ATOM 5 CB GLU A 8 9.051 18.687 -19.788 1.00 0.00 C ATOM 6 CG GLU A 8 8.715 20.104 -20.220 1.00 0.00 C ATOM 7 CD GLU A 8 8.459 20.214 -21.711 1.00 0.00 C ATOM 8 OE1 GLU A 8 9.367 19.870 -22.496 1.00 0.00 O ATOM 9 OE2 GLU A 8 7.351 20.644 -22.092 1.00 0.00 O ATOM 0 HA GLU A 8 9.450 19.453 -17.820 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.679 18.224 -20.549 1.00 0.00 H new ATOM 0 HB3 GLU A 8 8.131 18.104 -19.736 1.00 0.00 H new ATOM 0 HG2 GLU A 8 7.834 20.446 -19.678 1.00 0.00 H new ATOM 0 HG3 GLU A 8 9.535 20.768 -19.946 1.00 0.00 H new ATOM 16 N VAL A 9 8.247 17.333 -17.044 1.00 0.00 N ATOM 17 CA VAL A 9 7.773 16.161 -16.317 1.00 0.00 C ATOM 18 C VAL A 9 6.950 15.250 -17.221 1.00 0.00 C ATOM 19 O VAL A 9 5.980 15.684 -17.842 1.00 0.00 O ATOM 20 CB VAL A 9 6.920 16.563 -15.099 1.00 0.00 C ATOM 21 CG1 VAL A 9 7.777 17.263 -14.055 1.00 0.00 C ATOM 22 CG2 VAL A 9 5.761 17.449 -15.530 1.00 0.00 C ATOM 0 H VAL A 9 7.632 18.144 -16.983 1.00 0.00 H new ATOM 0 HA VAL A 9 8.656 15.624 -15.971 1.00 0.00 H new ATOM 0 HB VAL A 9 6.509 15.659 -14.650 1.00 0.00 H new ATOM 0 HG11 VAL A 9 7.158 17.540 -13.202 1.00 0.00 H new ATOM 0 HG12 VAL A 9 8.570 16.591 -13.725 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.219 18.160 -14.489 1.00 0.00 H new ATOM 0 HG21 VAL A 9 5.169 17.724 -14.657 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.149 18.351 -16.004 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.134 16.908 -16.239 1.00 0.00 H new ATOM 32 N LYS A 10 7.344 13.982 -17.289 1.00 0.00 N ATOM 33 CA LYS A 10 6.643 13.007 -18.115 1.00 0.00 C ATOM 34 C LYS A 10 5.261 12.704 -17.545 1.00 0.00 C ATOM 35 O LYS A 10 4.944 13.095 -16.423 1.00 0.00 O ATOM 36 CB LYS A 10 7.458 11.715 -18.218 1.00 0.00 C ATOM 37 CG LYS A 10 7.687 11.033 -16.881 1.00 0.00 C ATOM 38 CD LYS A 10 8.950 10.188 -16.896 1.00 0.00 C ATOM 39 CE LYS A 10 8.707 8.835 -17.548 1.00 0.00 C ATOM 40 NZ LYS A 10 8.723 8.925 -19.034 1.00 0.00 N ATOM 0 H LYS A 10 8.145 13.606 -16.782 1.00 0.00 H new ATOM 0 HA LYS A 10 6.521 13.433 -19.111 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.944 11.024 -18.886 1.00 0.00 H new ATOM 0 HB3 LYS A 10 8.423 11.939 -18.672 1.00 0.00 H new ATOM 0 HG2 LYS A 10 7.761 11.785 -16.096 1.00 0.00 H new ATOM 0 HG3 LYS A 10 6.830 10.404 -16.641 1.00 0.00 H new ATOM 0 HD2 LYS A 10 9.737 10.717 -17.434 1.00 0.00 H new ATOM 0 HD3 LYS A 10 9.304 10.043 -15.875 1.00 0.00 H new ATOM 0 HE2 LYS A 10 9.471 8.131 -17.219 1.00 0.00 H new ATOM 0 HE3 LYS A 10 7.746 8.440 -17.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 9.091 8.037 -19.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 7.756 9.086 -19.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 9.332 9.715 -19.327 1.00 0.00 H new ATOM 54 N GLU A 11 4.444 12.004 -18.326 1.00 0.00 N ATOM 55 CA GLU A 11 3.096 11.649 -17.897 1.00 0.00 C ATOM 56 C GLU A 11 3.068 10.246 -17.297 1.00 0.00 C ATOM 57 O GLU A 11 3.731 9.336 -17.792 1.00 0.00 O ATOM 58 CB GLU A 11 2.123 11.731 -19.076 1.00 0.00 C ATOM 59 CG GLU A 11 2.564 10.924 -20.286 1.00 0.00 C ATOM 60 CD GLU A 11 1.411 10.584 -21.210 1.00 0.00 C ATOM 61 OE1 GLU A 11 0.319 10.258 -20.701 1.00 0.00 O ATOM 62 OE2 GLU A 11 1.601 10.643 -22.443 1.00 0.00 O ATOM 0 H GLU A 11 4.692 11.672 -19.258 1.00 0.00 H new ATOM 0 HA GLU A 11 2.787 12.360 -17.130 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.143 11.379 -18.753 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.007 12.775 -19.368 1.00 0.00 H new ATOM 0 HG2 GLU A 11 3.315 11.487 -20.840 1.00 0.00 H new ATOM 0 HG3 GLU A 11 3.040 10.003 -19.950 1.00 0.00 H new ATOM 69 N GLU A 12 2.295 10.082 -16.228 1.00 0.00 N ATOM 70 CA GLU A 12 2.182 8.791 -15.560 1.00 0.00 C ATOM 71 C GLU A 12 0.867 8.689 -14.792 1.00 0.00 C ATOM 72 O GLU A 12 0.438 9.645 -14.146 1.00 0.00 O ATOM 73 CB GLU A 12 3.360 8.580 -14.606 1.00 0.00 C ATOM 74 CG GLU A 12 3.237 7.327 -13.755 1.00 0.00 C ATOM 75 CD GLU A 12 4.479 7.061 -12.926 1.00 0.00 C ATOM 76 OE1 GLU A 12 5.160 8.037 -12.547 1.00 0.00 O ATOM 77 OE2 GLU A 12 4.768 5.877 -12.656 1.00 0.00 O ATOM 0 H GLU A 12 1.739 10.826 -15.807 1.00 0.00 H new ATOM 0 HA GLU A 12 2.198 8.013 -16.324 1.00 0.00 H new ATOM 0 HB2 GLU A 12 4.281 8.526 -15.186 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.446 9.447 -13.951 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.377 7.425 -13.093 1.00 0.00 H new ATOM 0 HG3 GLU A 12 3.046 6.470 -14.401 1.00 0.00 H new ATOM 84 N ASP A 13 0.233 7.524 -14.867 1.00 0.00 N ATOM 85 CA ASP A 13 -1.032 7.296 -14.179 1.00 0.00 C ATOM 86 C ASP A 13 -0.912 7.630 -12.695 1.00 0.00 C ATOM 87 O ASP A 13 -1.667 8.447 -12.170 1.00 0.00 O ATOM 88 CB ASP A 13 -1.477 5.843 -14.353 1.00 0.00 C ATOM 89 CG ASP A 13 -2.890 5.607 -13.858 1.00 0.00 C ATOM 90 OD1 ASP A 13 -3.221 6.089 -12.754 1.00 0.00 O ATOM 91 OD2 ASP A 13 -3.667 4.942 -14.574 1.00 0.00 O ATOM 0 H ASP A 13 0.575 6.723 -15.398 1.00 0.00 H new ATOM 0 HA ASP A 13 -1.781 7.953 -14.621 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -1.414 5.570 -15.407 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -0.792 5.189 -13.813 1.00 0.00 H new ATOM 96 N ALA A 14 0.042 6.991 -12.026 1.00 0.00 N ATOM 97 CA ALA A 14 0.262 7.221 -10.603 1.00 0.00 C ATOM 98 C ALA A 14 0.934 8.568 -10.362 1.00 0.00 C ATOM 99 O ALA A 14 1.947 8.888 -10.985 1.00 0.00 O ATOM 100 CB ALA A 14 1.099 6.097 -10.010 1.00 0.00 C ATOM 0 H ALA A 14 0.675 6.310 -12.446 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.709 7.236 -10.108 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.255 6.282 -8.947 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.579 5.148 -10.141 1.00 0.00 H new ATOM 0 HB3 ALA A 14 2.063 6.055 -10.517 1.00 0.00 H new ATOM 106 N PHE A 15 0.364 9.354 -9.455 1.00 0.00 N ATOM 107 CA PHE A 15 0.908 10.669 -9.133 1.00 0.00 C ATOM 108 C PHE A 15 2.112 10.546 -8.204 1.00 0.00 C ATOM 109 O PHE A 15 3.118 11.235 -8.380 1.00 0.00 O ATOM 110 CB PHE A 15 -0.166 11.543 -8.482 1.00 0.00 C ATOM 111 CG PHE A 15 -0.929 10.843 -7.393 1.00 0.00 C ATOM 112 CD1 PHE A 15 -0.466 10.856 -6.087 1.00 0.00 C ATOM 113 CD2 PHE A 15 -2.108 10.173 -7.676 1.00 0.00 C ATOM 114 CE1 PHE A 15 -1.166 10.214 -5.082 1.00 0.00 C ATOM 115 CE2 PHE A 15 -2.812 9.529 -6.675 1.00 0.00 C ATOM 116 CZ PHE A 15 -2.340 9.549 -5.377 1.00 0.00 C ATOM 0 H PHE A 15 -0.474 9.104 -8.930 1.00 0.00 H new ATOM 0 HA PHE A 15 1.234 11.138 -10.062 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.304 12.436 -8.069 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -0.866 11.876 -9.248 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.452 11.374 -5.851 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -2.481 10.153 -8.689 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.795 10.233 -4.068 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -3.730 9.011 -6.908 1.00 0.00 H new ATOM 0 HZ PHE A 15 -2.888 9.046 -4.594 1.00 0.00 H new ATOM 126 N TYR A 16 2.002 9.666 -7.216 1.00 0.00 N ATOM 127 CA TYR A 16 3.080 9.455 -6.257 1.00 0.00 C ATOM 128 C TYR A 16 3.729 8.088 -6.458 1.00 0.00 C ATOM 129 O TYR A 16 3.147 7.057 -6.123 1.00 0.00 O ATOM 130 CB TYR A 16 2.550 9.574 -4.827 1.00 0.00 C ATOM 131 CG TYR A 16 3.639 9.663 -3.782 1.00 0.00 C ATOM 132 CD1 TYR A 16 4.380 10.827 -3.620 1.00 0.00 C ATOM 133 CD2 TYR A 16 3.927 8.582 -2.957 1.00 0.00 C ATOM 134 CE1 TYR A 16 5.377 10.912 -2.667 1.00 0.00 C ATOM 135 CE2 TYR A 16 4.922 8.659 -2.001 1.00 0.00 C ATOM 136 CZ TYR A 16 5.643 9.826 -1.860 1.00 0.00 C ATOM 137 OH TYR A 16 6.635 9.907 -0.909 1.00 0.00 O ATOM 0 H TYR A 16 1.177 9.087 -7.058 1.00 0.00 H new ATOM 0 HA TYR A 16 3.835 10.224 -6.423 1.00 0.00 H new ATOM 0 HB2 TYR A 16 1.917 10.458 -4.756 1.00 0.00 H new ATOM 0 HB3 TYR A 16 1.919 8.712 -4.610 1.00 0.00 H new ATOM 0 HD1 TYR A 16 4.173 11.680 -4.250 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.364 7.667 -3.065 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.945 11.824 -2.555 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.134 7.810 -1.368 1.00 0.00 H new ATOM 0 HH TYR A 16 7.271 9.173 -1.037 1.00 0.00 H new ATOM 147 N SER A 17 4.938 8.090 -7.009 1.00 0.00 N ATOM 148 CA SER A 17 5.666 6.852 -7.259 1.00 0.00 C ATOM 149 C SER A 17 7.083 6.932 -6.699 1.00 0.00 C ATOM 150 O SER A 17 7.885 7.766 -7.122 1.00 0.00 O ATOM 151 CB SER A 17 5.715 6.558 -8.759 1.00 0.00 C ATOM 152 OG SER A 17 4.489 6.008 -9.211 1.00 0.00 O ATOM 0 H SER A 17 5.434 8.935 -7.291 1.00 0.00 H new ATOM 0 HA SER A 17 5.139 6.042 -6.754 1.00 0.00 H new ATOM 0 HB2 SER A 17 5.929 7.476 -9.306 1.00 0.00 H new ATOM 0 HB3 SER A 17 6.529 5.864 -8.970 1.00 0.00 H new ATOM 0 HG SER A 17 4.545 5.830 -10.173 1.00 0.00 H new ATOM 158 N LYS A 18 7.386 6.059 -5.744 1.00 0.00 N ATOM 159 CA LYS A 18 8.706 6.028 -5.125 1.00 0.00 C ATOM 160 C LYS A 18 9.052 4.620 -4.652 1.00 0.00 C ATOM 161 O LYS A 18 8.181 3.871 -4.209 1.00 0.00 O ATOM 162 CB LYS A 18 8.762 7.002 -3.946 1.00 0.00 C ATOM 163 CG LYS A 18 10.030 6.884 -3.119 1.00 0.00 C ATOM 164 CD LYS A 18 11.213 7.536 -3.816 1.00 0.00 C ATOM 165 CE LYS A 18 12.535 7.002 -3.287 1.00 0.00 C ATOM 166 NZ LYS A 18 13.701 7.655 -3.945 1.00 0.00 N ATOM 0 H LYS A 18 6.734 5.363 -5.382 1.00 0.00 H new ATOM 0 HA LYS A 18 9.438 6.331 -5.874 1.00 0.00 H new ATOM 0 HB2 LYS A 18 8.678 8.021 -4.323 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.900 6.829 -3.301 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.876 7.352 -2.147 1.00 0.00 H new ATOM 0 HG3 LYS A 18 10.249 5.832 -2.935 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.149 7.355 -4.889 1.00 0.00 H new ATOM 0 HD3 LYS A 18 11.172 8.616 -3.672 1.00 0.00 H new ATOM 0 HE2 LYS A 18 12.588 7.165 -2.210 1.00 0.00 H new ATOM 0 HE3 LYS A 18 12.583 5.925 -3.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 14.583 7.263 -3.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.665 7.479 -4.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 13.670 8.680 -3.769 1.00 0.00 H new ATOM 180 N LYS A 19 10.329 4.266 -4.746 1.00 0.00 N ATOM 181 CA LYS A 19 10.792 2.949 -4.326 1.00 0.00 C ATOM 182 C LYS A 19 10.844 2.851 -2.804 1.00 0.00 C ATOM 183 O LYS A 19 11.215 3.808 -2.124 1.00 0.00 O ATOM 184 CB LYS A 19 12.175 2.660 -4.913 1.00 0.00 C ATOM 185 CG LYS A 19 13.287 3.483 -4.286 1.00 0.00 C ATOM 186 CD LYS A 19 14.649 2.855 -4.526 1.00 0.00 C ATOM 187 CE LYS A 19 15.747 3.906 -4.572 1.00 0.00 C ATOM 188 NZ LYS A 19 17.072 3.311 -4.903 1.00 0.00 N ATOM 0 H LYS A 19 11.063 4.874 -5.110 1.00 0.00 H new ATOM 0 HA LYS A 19 10.085 2.208 -4.697 1.00 0.00 H new ATOM 0 HB2 LYS A 19 12.401 1.602 -4.784 1.00 0.00 H new ATOM 0 HB3 LYS A 19 12.153 2.853 -5.986 1.00 0.00 H new ATOM 0 HG2 LYS A 19 13.272 4.491 -4.700 1.00 0.00 H new ATOM 0 HG3 LYS A 19 13.112 3.576 -3.214 1.00 0.00 H new ATOM 0 HD2 LYS A 19 14.864 2.137 -3.735 1.00 0.00 H new ATOM 0 HD3 LYS A 19 14.635 2.301 -5.464 1.00 0.00 H new ATOM 0 HE2 LYS A 19 15.494 4.663 -5.314 1.00 0.00 H new ATOM 0 HE3 LYS A 19 15.807 4.411 -3.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 17.793 4.060 -4.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 17.326 2.606 -4.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 17.023 2.851 -5.834 1.00 0.00 H new ATOM 202 N CYS A 20 10.471 1.690 -2.278 1.00 0.00 N ATOM 203 CA CYS A 20 10.476 1.467 -0.836 1.00 0.00 C ATOM 204 C CYS A 20 10.388 -0.021 -0.516 1.00 0.00 C ATOM 205 O CYS A 20 10.171 -0.847 -1.403 1.00 0.00 O ATOM 206 CB CYS A 20 9.312 2.212 -0.180 1.00 0.00 C ATOM 207 SG CYS A 20 7.691 1.797 -0.865 1.00 0.00 S ATOM 0 H CYS A 20 10.161 0.889 -2.828 1.00 0.00 H new ATOM 0 HA CYS A 20 11.415 1.851 -0.437 1.00 0.00 H new ATOM 0 HB2 CYS A 20 9.310 1.993 0.888 1.00 0.00 H new ATOM 0 HB3 CYS A 20 9.475 3.285 -0.285 1.00 0.00 H new ATOM 0 HG CYS A 20 6.771 2.475 -0.245 1.00 0.00 H new ATOM 213 N LYS A 21 10.560 -0.358 0.758 1.00 0.00 N ATOM 214 CA LYS A 21 10.502 -1.747 1.197 1.00 0.00 C ATOM 215 C LYS A 21 9.359 -1.957 2.186 1.00 0.00 C ATOM 216 O LYS A 21 9.168 -1.162 3.107 1.00 0.00 O ATOM 217 CB LYS A 21 11.829 -2.156 1.841 1.00 0.00 C ATOM 218 CG LYS A 21 12.914 -2.494 0.833 1.00 0.00 C ATOM 219 CD LYS A 21 14.186 -2.962 1.520 1.00 0.00 C ATOM 220 CE LYS A 21 15.391 -2.850 0.598 1.00 0.00 C ATOM 221 NZ LYS A 21 16.054 -1.522 0.711 1.00 0.00 N ATOM 0 H LYS A 21 10.741 0.313 1.505 1.00 0.00 H new ATOM 0 HA LYS A 21 10.322 -2.372 0.322 1.00 0.00 H new ATOM 0 HB2 LYS A 21 12.178 -1.345 2.480 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.660 -3.020 2.484 1.00 0.00 H new ATOM 0 HG2 LYS A 21 12.556 -3.272 0.159 1.00 0.00 H new ATOM 0 HG3 LYS A 21 13.130 -1.618 0.222 1.00 0.00 H new ATOM 0 HD2 LYS A 21 14.356 -2.367 2.417 1.00 0.00 H new ATOM 0 HD3 LYS A 21 14.068 -3.997 1.842 1.00 0.00 H new ATOM 0 HE2 LYS A 21 16.107 -3.635 0.840 1.00 0.00 H new ATOM 0 HE3 LYS A 21 15.076 -3.012 -0.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 16.870 -1.486 0.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 15.378 -0.774 0.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 16.378 -1.378 1.689 1.00 0.00 H new ATOM 235 N LEU A 22 8.604 -3.032 1.990 1.00 0.00 N ATOM 236 CA LEU A 22 7.481 -3.348 2.866 1.00 0.00 C ATOM 237 C LEU A 22 7.911 -4.293 3.983 1.00 0.00 C ATOM 238 O LEU A 22 8.790 -5.133 3.796 1.00 0.00 O ATOM 239 CB LEU A 22 6.342 -3.976 2.061 1.00 0.00 C ATOM 240 CG LEU A 22 5.338 -3.001 1.445 1.00 0.00 C ATOM 241 CD1 LEU A 22 4.367 -3.738 0.535 1.00 0.00 C ATOM 242 CD2 LEU A 22 4.586 -2.251 2.535 1.00 0.00 C ATOM 0 H LEU A 22 8.749 -3.700 1.232 1.00 0.00 H new ATOM 0 HA LEU A 22 7.130 -2.419 3.316 1.00 0.00 H new ATOM 0 HB2 LEU A 22 6.777 -4.573 1.259 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.800 -4.662 2.711 1.00 0.00 H new ATOM 0 HG LEU A 22 5.887 -2.275 0.844 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.660 -3.028 0.106 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.920 -4.229 -0.266 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.824 -4.486 1.112 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.876 -1.562 2.079 1.00 0.00 H new ATOM 0 HD22 LEU A 22 4.049 -2.963 3.162 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.294 -1.691 3.146 1.00 0.00 H new ATOM 254 N PHE A 23 7.283 -4.151 5.146 1.00 0.00 N ATOM 255 CA PHE A 23 7.599 -4.993 6.294 1.00 0.00 C ATOM 256 C PHE A 23 6.395 -5.120 7.223 1.00 0.00 C ATOM 257 O PHE A 23 5.858 -4.121 7.701 1.00 0.00 O ATOM 258 CB PHE A 23 8.791 -4.418 7.061 1.00 0.00 C ATOM 259 CG PHE A 23 10.007 -4.202 6.206 1.00 0.00 C ATOM 260 CD1 PHE A 23 10.929 -5.219 6.020 1.00 0.00 C ATOM 261 CD2 PHE A 23 10.228 -2.981 5.590 1.00 0.00 C ATOM 262 CE1 PHE A 23 12.048 -5.023 5.233 1.00 0.00 C ATOM 263 CE2 PHE A 23 11.345 -2.779 4.802 1.00 0.00 C ATOM 264 CZ PHE A 23 12.257 -3.802 4.624 1.00 0.00 C ATOM 0 H PHE A 23 6.552 -3.461 5.318 1.00 0.00 H new ATOM 0 HA PHE A 23 7.857 -5.986 5.925 1.00 0.00 H new ATOM 0 HB2 PHE A 23 8.500 -3.469 7.511 1.00 0.00 H new ATOM 0 HB3 PHE A 23 9.047 -5.093 7.878 1.00 0.00 H new ATOM 0 HD1 PHE A 23 10.772 -6.176 6.495 1.00 0.00 H new ATOM 0 HD2 PHE A 23 9.519 -2.178 5.727 1.00 0.00 H new ATOM 0 HE1 PHE A 23 12.758 -5.825 5.095 1.00 0.00 H new ATOM 0 HE2 PHE A 23 11.505 -1.823 4.326 1.00 0.00 H new ATOM 0 HZ PHE A 23 13.131 -3.646 4.010 1.00 0.00 H new ATOM 274 N TYR A 24 5.977 -6.356 7.473 1.00 0.00 N ATOM 275 CA TYR A 24 4.835 -6.615 8.341 1.00 0.00 C ATOM 276 C TYR A 24 5.293 -7.119 9.707 1.00 0.00 C ATOM 277 O TYR A 24 6.372 -7.697 9.839 1.00 0.00 O ATOM 278 CB TYR A 24 3.898 -7.638 7.696 1.00 0.00 C ATOM 279 CG TYR A 24 4.620 -8.807 7.065 1.00 0.00 C ATOM 280 CD1 TYR A 24 5.139 -9.832 7.847 1.00 0.00 C ATOM 281 CD2 TYR A 24 4.785 -8.886 5.688 1.00 0.00 C ATOM 282 CE1 TYR A 24 5.800 -10.902 7.275 1.00 0.00 C ATOM 283 CE2 TYR A 24 5.444 -9.953 5.107 1.00 0.00 C ATOM 284 CZ TYR A 24 5.949 -10.958 5.905 1.00 0.00 C ATOM 285 OH TYR A 24 6.607 -12.022 5.331 1.00 0.00 O ATOM 0 H TYR A 24 6.412 -7.194 7.087 1.00 0.00 H new ATOM 0 HA TYR A 24 4.297 -5.677 8.480 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.208 -8.013 8.452 1.00 0.00 H new ATOM 0 HB3 TYR A 24 3.297 -7.139 6.935 1.00 0.00 H new ATOM 0 HD1 TYR A 24 5.024 -9.791 8.920 1.00 0.00 H new ATOM 0 HD2 TYR A 24 4.392 -8.100 5.060 1.00 0.00 H new ATOM 0 HE1 TYR A 24 6.198 -11.690 7.897 1.00 0.00 H new ATOM 0 HE2 TYR A 24 5.563 -9.999 4.035 1.00 0.00 H new ATOM 0 HH TYR A 24 6.624 -11.909 4.358 1.00 0.00 H new ATOM 295 N LYS A 25 4.463 -6.897 10.721 1.00 0.00 N ATOM 296 CA LYS A 25 4.779 -7.328 12.077 1.00 0.00 C ATOM 297 C LYS A 25 4.204 -8.714 12.355 1.00 0.00 C ATOM 298 O LYS A 25 2.990 -8.913 12.315 1.00 0.00 O ATOM 299 CB LYS A 25 4.232 -6.324 13.094 1.00 0.00 C ATOM 300 CG LYS A 25 4.955 -6.356 14.430 1.00 0.00 C ATOM 301 CD LYS A 25 4.872 -5.016 15.141 1.00 0.00 C ATOM 302 CE LYS A 25 5.762 -4.983 16.374 1.00 0.00 C ATOM 303 NZ LYS A 25 6.188 -3.598 16.713 1.00 0.00 N ATOM 0 H LYS A 25 3.566 -6.421 10.629 1.00 0.00 H new ATOM 0 HA LYS A 25 5.864 -7.378 12.172 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.304 -5.320 12.676 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.174 -6.526 13.258 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.521 -7.131 15.061 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.000 -6.621 14.273 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.167 -4.221 14.456 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.840 -4.820 15.431 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.227 -5.416 17.220 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.643 -5.602 16.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.793 -3.618 17.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.720 -3.194 15.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.349 -3.013 16.901 1.00 0.00 H new ATOM 317 N LYS A 26 5.084 -9.669 12.637 1.00 0.00 N ATOM 318 CA LYS A 26 4.665 -11.035 12.924 1.00 0.00 C ATOM 319 C LYS A 26 5.499 -11.634 14.052 1.00 0.00 C ATOM 320 O LYS A 26 6.709 -11.817 13.913 1.00 0.00 O ATOM 321 CB LYS A 26 4.787 -11.902 11.669 1.00 0.00 C ATOM 322 CG LYS A 26 3.544 -11.888 10.797 1.00 0.00 C ATOM 323 CD LYS A 26 3.739 -12.709 9.533 1.00 0.00 C ATOM 324 CE LYS A 26 3.727 -14.200 9.830 1.00 0.00 C ATOM 325 NZ LYS A 26 5.083 -14.707 10.179 1.00 0.00 N ATOM 0 H LYS A 26 6.093 -9.521 12.673 1.00 0.00 H new ATOM 0 HA LYS A 26 3.622 -11.010 13.241 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.637 -11.557 11.081 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.001 -12.929 11.966 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.699 -12.282 11.361 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.298 -10.860 10.530 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.950 -12.473 8.819 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.685 -12.438 9.064 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.041 -14.401 10.653 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.350 -14.740 8.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.275 -15.579 9.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.795 -13.989 9.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.127 -14.907 11.199 1.00 0.00 H new ATOM 339 N ASP A 27 4.845 -11.940 15.167 1.00 0.00 N ATOM 340 CA ASP A 27 5.527 -12.521 16.318 1.00 0.00 C ATOM 341 C ASP A 27 6.506 -11.524 16.931 1.00 0.00 C ATOM 342 O ASP A 27 7.635 -11.876 17.268 1.00 0.00 O ATOM 343 CB ASP A 27 6.266 -13.796 15.910 1.00 0.00 C ATOM 344 CG ASP A 27 6.842 -14.538 17.100 1.00 0.00 C ATOM 345 OD1 ASP A 27 6.062 -14.911 18.001 1.00 0.00 O ATOM 346 OD2 ASP A 27 8.073 -14.747 17.129 1.00 0.00 O ATOM 0 H ASP A 27 3.844 -11.796 15.298 1.00 0.00 H new ATOM 0 HA ASP A 27 4.775 -12.770 17.067 1.00 0.00 H new ATOM 0 HB2 ASP A 27 5.582 -14.453 15.373 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.071 -13.541 15.220 1.00 0.00 H new ATOM 351 N ASN A 28 6.064 -10.279 17.070 1.00 0.00 N ATOM 352 CA ASN A 28 6.902 -9.230 17.641 1.00 0.00 C ATOM 353 C ASN A 28 8.184 -9.057 16.831 1.00 0.00 C ATOM 354 O ASN A 28 9.264 -8.880 17.392 1.00 0.00 O ATOM 355 CB ASN A 28 7.245 -9.557 19.095 1.00 0.00 C ATOM 356 CG ASN A 28 6.012 -9.659 19.972 1.00 0.00 C ATOM 357 OD1 ASN A 28 5.640 -8.703 20.652 1.00 0.00 O ATOM 358 ND2 ASN A 28 5.371 -10.822 19.958 1.00 0.00 N ATOM 0 H ASN A 28 5.131 -9.971 16.795 1.00 0.00 H new ATOM 0 HA ASN A 28 6.343 -8.295 17.608 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.793 -10.498 19.133 1.00 0.00 H new ATOM 0 HB3 ASN A 28 7.906 -8.787 19.491 1.00 0.00 H new ATOM 0 HD21 ASN A 28 4.534 -10.950 20.527 1.00 0.00 H new ATOM 0 HD22 ASN A 28 5.716 -11.587 19.379 1.00 0.00 H new ATOM 365 N GLU A 29 8.053 -9.110 15.509 1.00 0.00 N ATOM 366 CA GLU A 29 9.201 -8.959 14.622 1.00 0.00 C ATOM 367 C GLU A 29 8.768 -8.434 13.256 1.00 0.00 C ATOM 368 O GLU A 29 7.597 -8.524 12.887 1.00 0.00 O ATOM 369 CB GLU A 29 9.928 -10.296 14.461 1.00 0.00 C ATOM 370 CG GLU A 29 11.407 -10.150 14.143 1.00 0.00 C ATOM 371 CD GLU A 29 12.154 -11.467 14.226 1.00 0.00 C ATOM 372 OE1 GLU A 29 11.835 -12.380 13.434 1.00 0.00 O ATOM 373 OE2 GLU A 29 13.056 -11.586 15.081 1.00 0.00 O ATOM 0 H GLU A 29 7.165 -9.256 15.029 1.00 0.00 H new ATOM 0 HA GLU A 29 9.882 -8.235 15.070 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.818 -10.873 15.379 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.449 -10.867 13.666 1.00 0.00 H new ATOM 0 HG2 GLU A 29 11.520 -9.735 13.142 1.00 0.00 H new ATOM 0 HG3 GLU A 29 11.855 -9.438 14.836 1.00 0.00 H new ATOM 380 N PHE A 30 9.722 -7.887 12.510 1.00 0.00 N ATOM 381 CA PHE A 30 9.440 -7.346 11.185 1.00 0.00 C ATOM 382 C PHE A 30 10.070 -8.213 10.099 1.00 0.00 C ATOM 383 O PHE A 30 11.267 -8.500 10.133 1.00 0.00 O ATOM 384 CB PHE A 30 9.962 -5.912 11.075 1.00 0.00 C ATOM 385 CG PHE A 30 9.098 -4.904 11.778 1.00 0.00 C ATOM 386 CD1 PHE A 30 9.255 -4.663 13.134 1.00 0.00 C ATOM 387 CD2 PHE A 30 8.129 -4.198 11.084 1.00 0.00 C ATOM 388 CE1 PHE A 30 8.461 -3.737 13.783 1.00 0.00 C ATOM 389 CE2 PHE A 30 7.332 -3.270 11.729 1.00 0.00 C ATOM 390 CZ PHE A 30 7.499 -3.039 13.080 1.00 0.00 C ATOM 0 H PHE A 30 10.697 -7.807 12.800 1.00 0.00 H new ATOM 0 HA PHE A 30 8.359 -7.344 11.043 1.00 0.00 H new ATOM 0 HB2 PHE A 30 10.969 -5.868 11.490 1.00 0.00 H new ATOM 0 HB3 PHE A 30 10.039 -5.641 10.022 1.00 0.00 H new ATOM 0 HD1 PHE A 30 10.006 -5.205 13.689 1.00 0.00 H new ATOM 0 HD2 PHE A 30 7.994 -4.374 10.027 1.00 0.00 H new ATOM 0 HE1 PHE A 30 8.593 -3.559 14.840 1.00 0.00 H new ATOM 0 HE2 PHE A 30 6.580 -2.727 11.177 1.00 0.00 H new ATOM 0 HZ PHE A 30 6.879 -2.314 13.586 1.00 0.00 H new ATOM 400 N LYS A 31 9.255 -8.628 9.135 1.00 0.00 N ATOM 401 CA LYS A 31 9.729 -9.462 8.037 1.00 0.00 C ATOM 402 C LYS A 31 9.547 -8.754 6.698 1.00 0.00 C ATOM 403 O LYS A 31 8.475 -8.225 6.407 1.00 0.00 O ATOM 404 CB LYS A 31 8.984 -10.798 8.025 1.00 0.00 C ATOM 405 CG LYS A 31 9.515 -11.801 9.034 1.00 0.00 C ATOM 406 CD LYS A 31 10.635 -12.644 8.446 1.00 0.00 C ATOM 407 CE LYS A 31 11.400 -13.388 9.530 1.00 0.00 C ATOM 408 NZ LYS A 31 12.599 -14.082 8.984 1.00 0.00 N ATOM 0 H LYS A 31 8.262 -8.400 9.092 1.00 0.00 H new ATOM 0 HA LYS A 31 10.792 -9.648 8.188 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.928 -10.617 8.227 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.048 -11.231 7.027 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.880 -11.274 9.915 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.704 -12.451 9.364 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.219 -13.359 7.736 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.320 -12.004 7.890 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.708 -12.686 10.305 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.742 -14.117 10.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.094 -14.577 9.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.303 -14.770 8.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 13.239 -13.384 8.554 1.00 0.00 H new ATOM 422 N GLU A 32 10.601 -8.750 5.888 1.00 0.00 N ATOM 423 CA GLU A 32 10.556 -8.107 4.580 1.00 0.00 C ATOM 424 C GLU A 32 9.567 -8.816 3.659 1.00 0.00 C ATOM 425 O GLU A 32 9.797 -9.950 3.237 1.00 0.00 O ATOM 426 CB GLU A 32 11.947 -8.098 3.943 1.00 0.00 C ATOM 427 CG GLU A 32 12.076 -7.132 2.777 1.00 0.00 C ATOM 428 CD GLU A 32 13.190 -7.516 1.822 1.00 0.00 C ATOM 429 OE1 GLU A 32 13.508 -8.720 1.734 1.00 0.00 O ATOM 430 OE2 GLU A 32 13.743 -6.611 1.162 1.00 0.00 O ATOM 0 H GLU A 32 11.496 -9.184 6.114 1.00 0.00 H new ATOM 0 HA GLU A 32 10.222 -7.079 4.720 1.00 0.00 H new ATOM 0 HB2 GLU A 32 12.684 -7.838 4.703 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.186 -9.104 3.599 1.00 0.00 H new ATOM 0 HG2 GLU A 32 11.132 -7.097 2.233 1.00 0.00 H new ATOM 0 HG3 GLU A 32 12.261 -6.128 3.160 1.00 0.00 H new ATOM 437 N LYS A 33 8.465 -8.141 3.352 1.00 0.00 N ATOM 438 CA LYS A 33 7.440 -8.704 2.481 1.00 0.00 C ATOM 439 C LYS A 33 7.957 -8.844 1.053 1.00 0.00 C ATOM 440 O LYS A 33 7.741 -9.865 0.401 1.00 0.00 O ATOM 441 CB LYS A 33 6.188 -7.825 2.498 1.00 0.00 C ATOM 442 CG LYS A 33 4.966 -8.494 1.892 1.00 0.00 C ATOM 443 CD LYS A 33 4.916 -8.304 0.385 1.00 0.00 C ATOM 444 CE LYS A 33 4.107 -9.402 -0.288 1.00 0.00 C ATOM 445 NZ LYS A 33 2.683 -9.387 0.146 1.00 0.00 N ATOM 0 H LYS A 33 8.258 -7.202 3.694 1.00 0.00 H new ATOM 0 HA LYS A 33 7.185 -9.695 2.855 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.965 -7.545 3.528 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.394 -6.903 1.954 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.980 -9.559 2.125 1.00 0.00 H new ATOM 0 HG3 LYS A 33 4.063 -8.081 2.342 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.477 -7.333 0.154 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.929 -8.299 -0.016 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.158 -9.280 -1.370 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.547 -10.372 -0.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.210 -10.253 -0.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.637 -9.341 1.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.206 -8.556 -0.258 1.00 0.00 H new ATOM 459 N GLY A 34 8.642 -7.811 0.572 1.00 0.00 N ATOM 460 CA GLY A 34 9.179 -7.840 -0.776 1.00 0.00 C ATOM 461 C GLY A 34 9.529 -6.458 -1.291 1.00 0.00 C ATOM 462 O GLY A 34 8.700 -5.548 -1.257 1.00 0.00 O ATOM 0 H GLY A 34 8.835 -6.955 1.092 1.00 0.00 H new ATOM 0 HA2 GLY A 34 10.070 -8.468 -0.795 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.451 -8.300 -1.444 1.00 0.00 H new ATOM 466 N ILE A 35 10.759 -6.299 -1.767 1.00 0.00 N ATOM 467 CA ILE A 35 11.215 -5.017 -2.291 1.00 0.00 C ATOM 468 C ILE A 35 10.430 -4.621 -3.536 1.00 0.00 C ATOM 469 O ILE A 35 10.241 -5.426 -4.447 1.00 0.00 O ATOM 470 CB ILE A 35 12.716 -5.052 -2.633 1.00 0.00 C ATOM 471 CG1 ILE A 35 13.528 -5.519 -1.423 1.00 0.00 C ATOM 472 CG2 ILE A 35 13.186 -3.680 -3.095 1.00 0.00 C ATOM 473 CD1 ILE A 35 14.863 -6.128 -1.790 1.00 0.00 C ATOM 0 H ILE A 35 11.458 -7.041 -1.801 1.00 0.00 H new ATOM 0 HA ILE A 35 11.046 -4.277 -1.508 1.00 0.00 H new ATOM 0 HB ILE A 35 12.871 -5.761 -3.446 1.00 0.00 H new ATOM 0 HG12 ILE A 35 13.695 -4.671 -0.759 1.00 0.00 H new ATOM 0 HG13 ILE A 35 12.945 -6.251 -0.865 1.00 0.00 H new ATOM 0 HG21 ILE A 35 14.249 -3.721 -3.333 1.00 0.00 H new ATOM 0 HG22 ILE A 35 12.626 -3.383 -3.982 1.00 0.00 H new ATOM 0 HG23 ILE A 35 13.020 -2.952 -2.301 1.00 0.00 H new ATOM 0 HD11 ILE A 35 15.384 -6.436 -0.883 1.00 0.00 H new ATOM 0 HD12 ILE A 35 14.703 -6.996 -2.430 1.00 0.00 H new ATOM 0 HD13 ILE A 35 15.465 -5.391 -2.322 1.00 0.00 H new ATOM 485 N GLY A 36 9.974 -3.372 -3.569 1.00 0.00 N ATOM 486 CA GLY A 36 9.216 -2.889 -4.708 1.00 0.00 C ATOM 487 C GLY A 36 8.982 -1.392 -4.656 1.00 0.00 C ATOM 488 O GLY A 36 9.550 -0.695 -3.814 1.00 0.00 O ATOM 0 H GLY A 36 10.116 -2.687 -2.827 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.747 -3.139 -5.626 1.00 0.00 H new ATOM 0 HA3 GLY A 36 8.255 -3.403 -4.746 1.00 0.00 H new ATOM 492 N THR A 37 8.144 -0.894 -5.560 1.00 0.00 N ATOM 493 CA THR A 37 7.838 0.530 -5.616 1.00 0.00 C ATOM 494 C THR A 37 6.344 0.779 -5.447 1.00 0.00 C ATOM 495 O THR A 37 5.517 0.086 -6.042 1.00 0.00 O ATOM 496 CB THR A 37 8.303 1.153 -6.946 1.00 0.00 C ATOM 497 OG1 THR A 37 9.685 0.852 -7.171 1.00 0.00 O ATOM 498 CG2 THR A 37 8.101 2.660 -6.938 1.00 0.00 C ATOM 0 H THR A 37 7.665 -1.456 -6.264 1.00 0.00 H new ATOM 0 HA THR A 37 8.377 1.001 -4.794 1.00 0.00 H new ATOM 0 HB THR A 37 7.703 0.727 -7.751 1.00 0.00 H new ATOM 0 HG1 THR A 37 9.973 1.250 -8.019 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.437 3.077 -7.887 1.00 0.00 H new ATOM 0 HG22 THR A 37 7.044 2.885 -6.796 1.00 0.00 H new ATOM 0 HG23 THR A 37 8.678 3.100 -6.124 1.00 0.00 H new ATOM 506 N LEU A 38 6.002 1.771 -4.633 1.00 0.00 N ATOM 507 CA LEU A 38 4.606 2.112 -4.386 1.00 0.00 C ATOM 508 C LEU A 38 4.060 3.008 -5.493 1.00 0.00 C ATOM 509 O LEU A 38 4.740 3.924 -5.958 1.00 0.00 O ATOM 510 CB LEU A 38 4.462 2.811 -3.032 1.00 0.00 C ATOM 511 CG LEU A 38 3.172 3.603 -2.819 1.00 0.00 C ATOM 512 CD1 LEU A 38 2.797 3.627 -1.346 1.00 0.00 C ATOM 513 CD2 LEU A 38 3.322 5.020 -3.356 1.00 0.00 C ATOM 0 H LEU A 38 6.673 2.354 -4.132 1.00 0.00 H new ATOM 0 HA LEU A 38 4.029 1.187 -4.374 1.00 0.00 H new ATOM 0 HB2 LEU A 38 4.536 2.058 -2.247 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.306 3.489 -2.904 1.00 0.00 H new ATOM 0 HG LEU A 38 2.370 3.110 -3.369 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.876 4.195 -1.214 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.648 2.607 -0.992 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.598 4.096 -0.774 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.394 5.570 -3.196 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.136 5.523 -2.834 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.543 4.983 -4.423 1.00 0.00 H new ATOM 525 N HIS A 39 2.827 2.739 -5.911 1.00 0.00 N ATOM 526 CA HIS A 39 2.188 3.522 -6.963 1.00 0.00 C ATOM 527 C HIS A 39 0.791 3.964 -6.538 1.00 0.00 C ATOM 528 O HIS A 39 -0.135 3.154 -6.473 1.00 0.00 O ATOM 529 CB HIS A 39 2.108 2.710 -8.256 1.00 0.00 C ATOM 530 CG HIS A 39 3.418 2.117 -8.672 1.00 0.00 C ATOM 531 ND1 HIS A 39 4.406 2.842 -9.304 1.00 0.00 N ATOM 532 CD2 HIS A 39 3.901 0.859 -8.543 1.00 0.00 C ATOM 533 CE1 HIS A 39 5.440 2.055 -9.546 1.00 0.00 C ATOM 534 NE2 HIS A 39 5.159 0.847 -9.094 1.00 0.00 N ATOM 0 H HIS A 39 2.251 1.985 -5.537 1.00 0.00 H new ATOM 0 HA HIS A 39 2.794 4.411 -7.139 1.00 0.00 H new ATOM 0 HB2 HIS A 39 1.380 1.909 -8.128 1.00 0.00 H new ATOM 0 HB3 HIS A 39 1.738 3.351 -9.056 1.00 0.00 H new ATOM 0 HD1 HIS A 39 4.348 3.831 -9.547 1.00 0.00 H new ATOM 0 HD2 HIS A 39 3.392 0.021 -8.091 1.00 0.00 H new ATOM 0 HE1 HIS A 39 6.359 2.350 -10.031 1.00 0.00 H new ATOM 542 N LEU A 40 0.645 5.253 -6.250 1.00 0.00 N ATOM 543 CA LEU A 40 -0.639 5.803 -5.831 1.00 0.00 C ATOM 544 C LEU A 40 -1.380 6.420 -7.013 1.00 0.00 C ATOM 545 O LEU A 40 -0.894 7.361 -7.641 1.00 0.00 O ATOM 546 CB LEU A 40 -0.435 6.853 -4.738 1.00 0.00 C ATOM 547 CG LEU A 40 -0.342 6.323 -3.306 1.00 0.00 C ATOM 548 CD1 LEU A 40 0.291 7.361 -2.393 1.00 0.00 C ATOM 549 CD2 LEU A 40 -1.719 5.928 -2.794 1.00 0.00 C ATOM 0 H LEU A 40 1.400 5.937 -6.299 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.243 4.987 -5.434 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.478 7.406 -4.959 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.259 7.565 -4.788 1.00 0.00 H new ATOM 0 HG LEU A 40 0.292 5.436 -3.307 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.349 6.966 -1.379 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.294 7.595 -2.749 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.316 8.267 -2.396 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.634 5.553 -1.774 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.376 6.798 -2.807 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.135 5.149 -3.433 1.00 0.00 H new ATOM 561 N LYS A 41 -2.559 5.886 -7.310 1.00 0.00 N ATOM 562 CA LYS A 41 -3.369 6.385 -8.415 1.00 0.00 C ATOM 563 C LYS A 41 -4.854 6.323 -8.072 1.00 0.00 C ATOM 564 O LYS A 41 -5.303 5.475 -7.300 1.00 0.00 O ATOM 565 CB LYS A 41 -3.094 5.575 -9.684 1.00 0.00 C ATOM 566 CG LYS A 41 -3.557 4.131 -9.596 1.00 0.00 C ATOM 567 CD LYS A 41 -2.477 3.233 -9.018 1.00 0.00 C ATOM 568 CE LYS A 41 -1.571 2.679 -10.107 1.00 0.00 C ATOM 569 NZ LYS A 41 -2.203 1.537 -10.825 1.00 0.00 N ATOM 0 H LYS A 41 -2.976 5.107 -6.801 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.097 7.426 -8.590 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.590 6.056 -10.527 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -2.024 5.593 -9.892 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -4.451 4.072 -8.975 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -3.834 3.776 -10.589 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -1.881 3.795 -8.299 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.940 2.409 -8.474 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.334 3.469 -10.819 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.629 2.354 -9.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.529 1.144 -11.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.468 0.801 -10.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -3.053 1.868 -11.324 1.00 0.00 H new ATOM 583 N PRO A 42 -5.637 7.241 -8.658 1.00 0.00 N ATOM 584 CA PRO A 42 -7.084 7.310 -8.431 1.00 0.00 C ATOM 585 C PRO A 42 -7.825 6.134 -9.057 1.00 0.00 C ATOM 586 O PRO A 42 -7.418 5.612 -10.096 1.00 0.00 O ATOM 587 CB PRO A 42 -7.487 8.621 -9.110 1.00 0.00 C ATOM 588 CG PRO A 42 -6.446 8.844 -10.152 1.00 0.00 C ATOM 589 CD PRO A 42 -5.170 8.282 -9.589 1.00 0.00 C ATOM 0 HA PRO A 42 -7.333 7.270 -7.371 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -8.481 8.549 -9.552 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -7.515 9.444 -8.396 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -6.714 8.346 -11.084 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -6.339 9.905 -10.376 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -4.535 7.866 -10.371 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -4.586 9.046 -9.077 1.00 0.00 H new ATOM 597 N THR A 43 -8.917 5.722 -8.421 1.00 0.00 N ATOM 598 CA THR A 43 -9.716 4.608 -8.915 1.00 0.00 C ATOM 599 C THR A 43 -11.086 5.080 -9.387 1.00 0.00 C ATOM 600 O THR A 43 -11.461 6.234 -9.179 1.00 0.00 O ATOM 601 CB THR A 43 -9.901 3.526 -7.834 1.00 0.00 C ATOM 602 OG1 THR A 43 -10.505 2.360 -8.407 1.00 0.00 O ATOM 603 CG2 THR A 43 -10.766 4.043 -6.695 1.00 0.00 C ATOM 0 H THR A 43 -9.269 6.144 -7.561 1.00 0.00 H new ATOM 0 HA THR A 43 -9.173 4.179 -9.758 1.00 0.00 H new ATOM 0 HB THR A 43 -8.919 3.268 -7.436 1.00 0.00 H new ATOM 0 HG1 THR A 43 -10.618 1.676 -7.714 1.00 0.00 H new ATOM 0 HG21 THR A 43 -10.883 3.262 -5.944 1.00 0.00 H new ATOM 0 HG22 THR A 43 -10.290 4.913 -6.243 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.746 4.325 -7.081 1.00 0.00 H new ATOM 611 N ALA A 44 -11.831 4.181 -10.021 1.00 0.00 N ATOM 612 CA ALA A 44 -13.162 4.505 -10.519 1.00 0.00 C ATOM 613 C ALA A 44 -13.928 5.363 -9.519 1.00 0.00 C ATOM 614 O ALA A 44 -14.571 6.344 -9.892 1.00 0.00 O ATOM 615 CB ALA A 44 -13.935 3.231 -10.827 1.00 0.00 C ATOM 0 H ALA A 44 -11.535 3.222 -10.202 1.00 0.00 H new ATOM 0 HA ALA A 44 -13.049 5.079 -11.439 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -14.927 3.488 -11.198 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -13.402 2.656 -11.584 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -14.030 2.635 -9.919 1.00 0.00 H new ATOM 621 N ASN A 45 -13.856 4.987 -8.246 1.00 0.00 N ATOM 622 CA ASN A 45 -14.545 5.722 -7.191 1.00 0.00 C ATOM 623 C ASN A 45 -13.736 6.942 -6.761 1.00 0.00 C ATOM 624 O ASN A 45 -12.637 7.178 -7.263 1.00 0.00 O ATOM 625 CB ASN A 45 -14.796 4.812 -5.987 1.00 0.00 C ATOM 626 CG ASN A 45 -15.175 3.402 -6.397 1.00 0.00 C ATOM 627 OD1 ASN A 45 -16.129 3.198 -7.148 1.00 0.00 O ATOM 628 ND2 ASN A 45 -14.429 2.422 -5.903 1.00 0.00 N ATOM 0 H ASN A 45 -13.328 4.178 -7.920 1.00 0.00 H new ATOM 0 HA ASN A 45 -15.502 6.063 -7.585 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -13.900 4.779 -5.367 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -15.592 5.236 -5.374 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -14.637 1.453 -6.142 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -13.648 2.638 -5.284 1.00 0.00 H new ATOM 635 N GLN A 46 -14.288 7.713 -5.829 1.00 0.00 N ATOM 636 CA GLN A 46 -13.618 8.908 -5.332 1.00 0.00 C ATOM 637 C GLN A 46 -12.532 8.544 -4.324 1.00 0.00 C ATOM 638 O GLN A 46 -11.940 9.418 -3.690 1.00 0.00 O ATOM 639 CB GLN A 46 -14.631 9.856 -4.688 1.00 0.00 C ATOM 640 CG GLN A 46 -14.184 11.309 -4.680 1.00 0.00 C ATOM 641 CD GLN A 46 -14.909 12.137 -3.637 1.00 0.00 C ATOM 642 OE1 GLN A 46 -15.199 11.658 -2.540 1.00 0.00 O ATOM 643 NE2 GLN A 46 -15.206 13.386 -3.974 1.00 0.00 N ATOM 0 H GLN A 46 -15.197 7.531 -5.404 1.00 0.00 H new ATOM 0 HA GLN A 46 -13.149 9.410 -6.179 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -15.578 9.779 -5.221 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -14.815 9.535 -3.663 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -13.111 11.354 -4.493 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -14.354 11.743 -5.665 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -14.946 13.741 -4.894 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -15.694 13.990 -3.313 1.00 0.00 H new ATOM 652 N LYS A 47 -12.275 7.248 -4.181 1.00 0.00 N ATOM 653 CA LYS A 47 -11.261 6.767 -3.251 1.00 0.00 C ATOM 654 C LYS A 47 -9.928 6.556 -3.962 1.00 0.00 C ATOM 655 O LYS A 47 -9.856 6.580 -5.191 1.00 0.00 O ATOM 656 CB LYS A 47 -11.716 5.459 -2.599 1.00 0.00 C ATOM 657 CG LYS A 47 -12.931 5.618 -1.702 1.00 0.00 C ATOM 658 CD LYS A 47 -12.565 6.263 -0.376 1.00 0.00 C ATOM 659 CE LYS A 47 -13.789 6.457 0.506 1.00 0.00 C ATOM 660 NZ LYS A 47 -14.190 5.193 1.184 1.00 0.00 N ATOM 0 H LYS A 47 -12.756 6.512 -4.698 1.00 0.00 H new ATOM 0 HA LYS A 47 -11.125 7.523 -2.478 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.944 4.733 -3.380 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -10.893 5.049 -2.013 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -13.681 6.226 -2.208 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -13.381 4.642 -1.521 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -11.836 5.641 0.143 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.090 7.227 -0.558 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.579 7.220 1.255 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -14.618 6.823 -0.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -15.028 5.367 1.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -14.415 4.472 0.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -13.408 4.856 1.781 1.00 0.00 H new ATOM 674 N THR A 48 -8.872 6.349 -3.181 1.00 0.00 N ATOM 675 CA THR A 48 -7.541 6.134 -3.735 1.00 0.00 C ATOM 676 C THR A 48 -7.147 4.663 -3.662 1.00 0.00 C ATOM 677 O THR A 48 -7.318 4.017 -2.629 1.00 0.00 O ATOM 678 CB THR A 48 -6.483 6.975 -2.998 1.00 0.00 C ATOM 679 OG1 THR A 48 -6.876 8.352 -2.981 1.00 0.00 O ATOM 680 CG2 THR A 48 -5.122 6.839 -3.666 1.00 0.00 C ATOM 0 H THR A 48 -8.913 6.326 -2.162 1.00 0.00 H new ATOM 0 HA THR A 48 -7.579 6.446 -4.779 1.00 0.00 H new ATOM 0 HB THR A 48 -6.407 6.607 -1.975 1.00 0.00 H new ATOM 0 HG1 THR A 48 -6.194 8.892 -3.433 1.00 0.00 H new ATOM 0 HG21 THR A 48 -4.391 7.442 -3.128 1.00 0.00 H new ATOM 0 HG22 THR A 48 -4.812 5.794 -3.651 1.00 0.00 H new ATOM 0 HG23 THR A 48 -5.187 7.183 -4.698 1.00 0.00 H new ATOM 688 N GLN A 49 -6.617 4.142 -4.764 1.00 0.00 N ATOM 689 CA GLN A 49 -6.198 2.746 -4.823 1.00 0.00 C ATOM 690 C GLN A 49 -4.707 2.613 -4.530 1.00 0.00 C ATOM 691 O GLN A 49 -3.882 3.307 -5.125 1.00 0.00 O ATOM 692 CB GLN A 49 -6.515 2.155 -6.198 1.00 0.00 C ATOM 693 CG GLN A 49 -5.932 0.767 -6.412 1.00 0.00 C ATOM 694 CD GLN A 49 -5.604 0.490 -7.865 1.00 0.00 C ATOM 695 OE1 GLN A 49 -4.321 0.316 -8.161 1.00 0.00 O flip ATOM 696 NE2 GLN A 49 -6.494 0.432 -8.714 1.00 0.00 N flip ATOM 0 H GLN A 49 -6.468 4.665 -5.627 1.00 0.00 H new ATOM 0 HA GLN A 49 -6.750 2.194 -4.062 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -7.597 2.109 -6.324 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -6.132 2.824 -6.969 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -5.028 0.660 -5.813 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -6.641 0.020 -6.055 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -7.467 0.572 -8.443 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.258 0.244 -9.688 1.00 0.00 H new ATOM 705 N LEU A 50 -4.369 1.717 -3.609 1.00 0.00 N ATOM 706 CA LEU A 50 -2.976 1.492 -3.236 1.00 0.00 C ATOM 707 C LEU A 50 -2.415 0.262 -3.942 1.00 0.00 C ATOM 708 O LEU A 50 -2.971 -0.832 -3.841 1.00 0.00 O ATOM 709 CB LEU A 50 -2.855 1.325 -1.721 1.00 0.00 C ATOM 710 CG LEU A 50 -1.459 1.533 -1.132 1.00 0.00 C ATOM 711 CD1 LEU A 50 -0.509 0.447 -1.614 1.00 0.00 C ATOM 712 CD2 LEU A 50 -0.926 2.911 -1.498 1.00 0.00 C ATOM 0 H LEU A 50 -5.039 1.135 -3.107 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.397 2.361 -3.547 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.538 2.027 -1.243 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.193 0.323 -1.458 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.530 1.469 -0.046 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.479 0.611 -1.185 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.883 -0.528 -1.302 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.442 0.479 -2.701 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.068 3.042 -1.071 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.870 3.003 -2.583 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.594 3.676 -1.103 1.00 0.00 H new ATOM 724 N LEU A 51 -1.310 0.449 -4.656 1.00 0.00 N ATOM 725 CA LEU A 51 -0.672 -0.647 -5.377 1.00 0.00 C ATOM 726 C LEU A 51 0.842 -0.613 -5.190 1.00 0.00 C ATOM 727 O LEU A 51 1.439 0.457 -5.071 1.00 0.00 O ATOM 728 CB LEU A 51 -1.015 -0.571 -6.866 1.00 0.00 C ATOM 729 CG LEU A 51 -0.401 -1.656 -7.752 1.00 0.00 C ATOM 730 CD1 LEU A 51 -1.296 -2.885 -7.789 1.00 0.00 C ATOM 731 CD2 LEU A 51 -0.163 -1.125 -9.158 1.00 0.00 C ATOM 0 H LEU A 51 -0.838 1.348 -4.751 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.049 -1.586 -4.971 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.099 -0.614 -6.971 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.697 0.401 -7.243 1.00 0.00 H new ATOM 0 HG LEU A 51 0.560 -1.945 -7.326 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.843 -3.646 -8.424 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.415 -3.279 -6.780 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.272 -2.612 -8.190 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.274 -1.910 -9.774 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.111 -0.808 -9.593 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.519 -0.275 -9.116 1.00 0.00 H new ATOM 743 N VAL A 52 1.457 -1.791 -5.168 1.00 0.00 N ATOM 744 CA VAL A 52 2.901 -1.896 -4.999 1.00 0.00 C ATOM 745 C VAL A 52 3.490 -2.937 -5.944 1.00 0.00 C ATOM 746 O VAL A 52 3.173 -4.124 -5.853 1.00 0.00 O ATOM 747 CB VAL A 52 3.271 -2.266 -3.550 1.00 0.00 C ATOM 748 CG1 VAL A 52 4.781 -2.362 -3.393 1.00 0.00 C ATOM 749 CG2 VAL A 52 2.688 -1.253 -2.577 1.00 0.00 C ATOM 0 H VAL A 52 0.978 -2.686 -5.265 1.00 0.00 H new ATOM 0 HA VAL A 52 3.320 -0.917 -5.234 1.00 0.00 H new ATOM 0 HB VAL A 52 2.844 -3.242 -3.321 1.00 0.00 H new ATOM 0 HG11 VAL A 52 5.024 -2.624 -2.363 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.169 -3.129 -4.064 1.00 0.00 H new ATOM 0 HG13 VAL A 52 5.234 -1.402 -3.639 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.959 -1.530 -1.558 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.084 -0.263 -2.802 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.602 -1.240 -2.673 1.00 0.00 H new ATOM 759 N ARG A 53 4.350 -2.486 -6.851 1.00 0.00 N ATOM 760 CA ARG A 53 4.984 -3.378 -7.814 1.00 0.00 C ATOM 761 C ARG A 53 6.327 -3.878 -7.290 1.00 0.00 C ATOM 762 O ARG A 53 7.068 -3.137 -6.645 1.00 0.00 O ATOM 763 CB ARG A 53 5.181 -2.663 -9.152 1.00 0.00 C ATOM 764 CG ARG A 53 6.055 -3.430 -10.130 1.00 0.00 C ATOM 765 CD ARG A 53 6.411 -2.583 -11.342 1.00 0.00 C ATOM 766 NE ARG A 53 7.474 -3.189 -12.139 1.00 0.00 N ATOM 767 CZ ARG A 53 7.270 -4.169 -13.013 1.00 0.00 C ATOM 768 NH1 ARG A 53 6.050 -4.651 -13.200 1.00 0.00 N ATOM 769 NH2 ARG A 53 8.289 -4.668 -13.701 1.00 0.00 N ATOM 0 H ARG A 53 4.624 -1.507 -6.939 1.00 0.00 H new ATOM 0 HA ARG A 53 4.329 -4.236 -7.962 1.00 0.00 H new ATOM 0 HB2 ARG A 53 4.206 -2.489 -9.608 1.00 0.00 H new ATOM 0 HB3 ARG A 53 5.627 -1.685 -8.969 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.968 -3.752 -9.629 1.00 0.00 H new ATOM 0 HG3 ARG A 53 5.535 -4.331 -10.455 1.00 0.00 H new ATOM 0 HD2 ARG A 53 5.525 -2.447 -11.962 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.724 -1.592 -11.013 1.00 0.00 H new ATOM 0 HE ARG A 53 8.425 -2.841 -12.018 1.00 0.00 H new ATOM 0 HH11 ARG A 53 5.265 -4.270 -12.672 1.00 0.00 H new ATOM 0 HH12 ARG A 53 5.896 -5.403 -13.872 1.00 0.00 H new ATOM 0 HH21 ARG A 53 9.229 -4.299 -13.559 1.00 0.00 H new ATOM 0 HH22 ARG A 53 8.132 -5.420 -14.372 1.00 0.00 H new ATOM 783 N ALA A 54 6.633 -5.140 -7.572 1.00 0.00 N ATOM 784 CA ALA A 54 7.887 -5.739 -7.130 1.00 0.00 C ATOM 785 C ALA A 54 9.073 -5.148 -7.885 1.00 0.00 C ATOM 786 O ALA A 54 9.036 -5.010 -9.108 1.00 0.00 O ATOM 787 CB ALA A 54 7.843 -7.249 -7.310 1.00 0.00 C ATOM 0 H ALA A 54 6.030 -5.767 -8.104 1.00 0.00 H new ATOM 0 HA ALA A 54 8.015 -5.515 -6.071 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.786 -7.683 -6.976 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.024 -7.662 -6.721 1.00 0.00 H new ATOM 0 HB3 ALA A 54 7.687 -7.486 -8.363 1.00 0.00 H new ATOM 793 N ASP A 55 10.124 -4.802 -7.150 1.00 0.00 N ATOM 794 CA ASP A 55 11.321 -4.226 -7.751 1.00 0.00 C ATOM 795 C ASP A 55 11.987 -5.222 -8.696 1.00 0.00 C ATOM 796 O ASP A 55 12.361 -4.876 -9.817 1.00 0.00 O ATOM 797 CB ASP A 55 12.308 -3.799 -6.663 1.00 0.00 C ATOM 798 CG ASP A 55 13.246 -2.703 -7.131 1.00 0.00 C ATOM 799 OD1 ASP A 55 12.819 -1.871 -7.958 1.00 0.00 O ATOM 800 OD2 ASP A 55 14.407 -2.678 -6.670 1.00 0.00 O ATOM 0 H ASP A 55 10.171 -4.910 -6.137 1.00 0.00 H new ATOM 0 HA ASP A 55 11.024 -3.349 -8.326 1.00 0.00 H new ATOM 0 HB2 ASP A 55 11.755 -3.452 -5.790 1.00 0.00 H new ATOM 0 HB3 ASP A 55 12.892 -4.663 -6.347 1.00 0.00 H new ATOM 805 N THR A 56 12.134 -6.460 -8.236 1.00 0.00 N ATOM 806 CA THR A 56 12.756 -7.505 -9.038 1.00 0.00 C ATOM 807 C THR A 56 12.075 -7.635 -10.396 1.00 0.00 C ATOM 808 O THR A 56 10.932 -7.217 -10.569 1.00 0.00 O ATOM 809 CB THR A 56 12.710 -8.868 -8.321 1.00 0.00 C ATOM 810 OG1 THR A 56 13.518 -9.819 -9.023 1.00 0.00 O ATOM 811 CG2 THR A 56 11.281 -9.381 -8.226 1.00 0.00 C ATOM 0 H THR A 56 11.830 -6.764 -7.311 1.00 0.00 H new ATOM 0 HA THR A 56 13.797 -7.214 -9.182 1.00 0.00 H new ATOM 0 HB THR A 56 13.100 -8.736 -7.312 1.00 0.00 H new ATOM 0 HG1 THR A 56 13.484 -10.682 -8.560 1.00 0.00 H new ATOM 0 HG21 THR A 56 11.273 -10.344 -7.716 1.00 0.00 H new ATOM 0 HG22 THR A 56 10.675 -8.669 -7.665 1.00 0.00 H new ATOM 0 HG23 THR A 56 10.869 -9.498 -9.228 1.00 0.00 H new ATOM 819 N ASN A 57 12.786 -8.218 -11.356 1.00 0.00 N ATOM 820 CA ASN A 57 12.249 -8.403 -12.699 1.00 0.00 C ATOM 821 C ASN A 57 10.801 -8.881 -12.645 1.00 0.00 C ATOM 822 O ASN A 57 9.927 -8.327 -13.315 1.00 0.00 O ATOM 823 CB ASN A 57 13.100 -9.409 -13.477 1.00 0.00 C ATOM 824 CG ASN A 57 13.227 -10.738 -12.758 1.00 0.00 C ATOM 825 OD1 ASN A 57 13.818 -10.819 -11.681 1.00 0.00 O ATOM 826 ND2 ASN A 57 12.672 -11.787 -13.353 1.00 0.00 N ATOM 0 H ASN A 57 13.735 -8.570 -11.229 1.00 0.00 H new ATOM 0 HA ASN A 57 12.277 -7.441 -13.210 1.00 0.00 H new ATOM 0 HB2 ASN A 57 12.657 -9.572 -14.460 1.00 0.00 H new ATOM 0 HB3 ASN A 57 14.093 -8.991 -13.640 1.00 0.00 H new ATOM 0 HD21 ASN A 57 12.725 -12.708 -12.917 1.00 0.00 H new ATOM 0 HD22 ASN A 57 12.192 -11.672 -14.246 1.00 0.00 H new ATOM 833 N LEU A 58 10.553 -9.911 -11.843 1.00 0.00 N ATOM 834 CA LEU A 58 9.210 -10.463 -11.700 1.00 0.00 C ATOM 835 C LEU A 58 8.225 -9.389 -11.251 1.00 0.00 C ATOM 836 O LEU A 58 8.314 -8.878 -10.135 1.00 0.00 O ATOM 837 CB LEU A 58 9.216 -11.618 -10.698 1.00 0.00 C ATOM 838 CG LEU A 58 8.144 -12.689 -10.900 1.00 0.00 C ATOM 839 CD1 LEU A 58 6.767 -12.134 -10.574 1.00 0.00 C ATOM 840 CD2 LEU A 58 8.183 -13.220 -12.326 1.00 0.00 C ATOM 0 H LEU A 58 11.264 -10.381 -11.282 1.00 0.00 H new ATOM 0 HA LEU A 58 8.892 -10.837 -12.673 1.00 0.00 H new ATOM 0 HB2 LEU A 58 10.193 -12.099 -10.735 1.00 0.00 H new ATOM 0 HB3 LEU A 58 9.103 -11.204 -9.696 1.00 0.00 H new ATOM 0 HG LEU A 58 8.350 -13.515 -10.220 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.017 -12.911 -10.724 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.745 -11.803 -9.536 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.551 -11.290 -11.229 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.413 -13.981 -12.452 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.002 -12.402 -13.024 1.00 0.00 H new ATOM 0 HD23 LEU A 58 9.162 -13.657 -12.525 1.00 0.00 H new ATOM 852 N GLY A 59 7.282 -9.054 -12.126 1.00 0.00 N ATOM 853 CA GLY A 59 6.292 -8.044 -11.800 1.00 0.00 C ATOM 854 C GLY A 59 5.080 -8.626 -11.099 1.00 0.00 C ATOM 855 O GLY A 59 4.021 -8.785 -11.704 1.00 0.00 O ATOM 0 H GLY A 59 7.186 -9.464 -13.055 1.00 0.00 H new ATOM 0 HA2 GLY A 59 6.747 -7.286 -11.163 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.974 -7.543 -12.714 1.00 0.00 H new ATOM 859 N ASN A 60 5.237 -8.945 -9.818 1.00 0.00 N ATOM 860 CA ASN A 60 4.147 -9.515 -9.034 1.00 0.00 C ATOM 861 C ASN A 60 3.604 -8.496 -8.036 1.00 0.00 C ATOM 862 O ASN A 60 4.358 -7.702 -7.474 1.00 0.00 O ATOM 863 CB ASN A 60 4.624 -10.767 -8.294 1.00 0.00 C ATOM 864 CG ASN A 60 3.828 -11.029 -7.030 1.00 0.00 C ATOM 865 OD1 ASN A 60 2.623 -11.276 -7.083 1.00 0.00 O ATOM 866 ND2 ASN A 60 4.500 -10.977 -5.886 1.00 0.00 N ATOM 0 H ASN A 60 6.107 -8.819 -9.301 1.00 0.00 H new ATOM 0 HA ASN A 60 3.345 -9.789 -9.719 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.544 -11.629 -8.956 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.678 -10.656 -8.040 1.00 0.00 H new ATOM 0 HD21 ASN A 60 4.018 -11.145 -5.003 1.00 0.00 H new ATOM 0 HD22 ASN A 60 5.498 -10.769 -5.890 1.00 0.00 H new ATOM 873 N ILE A 61 2.293 -8.527 -7.822 1.00 0.00 N ATOM 874 CA ILE A 61 1.650 -7.608 -6.891 1.00 0.00 C ATOM 875 C ILE A 61 1.996 -7.956 -5.447 1.00 0.00 C ATOM 876 O ILE A 61 1.707 -9.057 -4.976 1.00 0.00 O ATOM 877 CB ILE A 61 0.119 -7.618 -7.057 1.00 0.00 C ATOM 878 CG1 ILE A 61 -0.264 -7.198 -8.477 1.00 0.00 C ATOM 879 CG2 ILE A 61 -0.531 -6.700 -6.033 1.00 0.00 C ATOM 880 CD1 ILE A 61 -1.720 -7.444 -8.808 1.00 0.00 C ATOM 0 H ILE A 61 1.656 -9.178 -8.280 1.00 0.00 H new ATOM 0 HA ILE A 61 2.026 -6.611 -7.122 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.244 -8.632 -6.888 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.045 -6.138 -8.605 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.359 -7.741 -9.188 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.613 -6.718 -6.163 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.281 -7.041 -5.028 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.166 -5.683 -6.173 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.920 -7.123 -9.830 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.940 -8.507 -8.712 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.350 -6.880 -8.120 1.00 0.00 H new ATOM 892 N LEU A 62 2.616 -7.011 -4.749 1.00 0.00 N ATOM 893 CA LEU A 62 3.000 -7.216 -3.357 1.00 0.00 C ATOM 894 C LEU A 62 1.829 -6.935 -2.421 1.00 0.00 C ATOM 895 O LEU A 62 1.504 -7.747 -1.554 1.00 0.00 O ATOM 896 CB LEU A 62 4.183 -6.316 -2.996 1.00 0.00 C ATOM 897 CG LEU A 62 5.542 -6.736 -3.558 1.00 0.00 C ATOM 898 CD1 LEU A 62 6.626 -5.766 -3.113 1.00 0.00 C ATOM 899 CD2 LEU A 62 5.883 -8.154 -3.125 1.00 0.00 C ATOM 0 H LEU A 62 2.863 -6.095 -5.124 1.00 0.00 H new ATOM 0 HA LEU A 62 3.294 -8.259 -3.237 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.965 -5.306 -3.344 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.260 -6.269 -1.910 1.00 0.00 H new ATOM 0 HG LEU A 62 5.486 -6.713 -4.646 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.586 -6.081 -3.522 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.389 -4.765 -3.473 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.681 -5.756 -2.024 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.853 -8.436 -3.534 1.00 0.00 H new ATOM 0 HD22 LEU A 62 5.920 -8.203 -2.037 1.00 0.00 H new ATOM 0 HD23 LEU A 62 5.121 -8.840 -3.494 1.00 0.00 H new ATOM 911 N LEU A 63 1.196 -5.782 -2.604 1.00 0.00 N ATOM 912 CA LEU A 63 0.057 -5.394 -1.778 1.00 0.00 C ATOM 913 C LEU A 63 -0.910 -4.514 -2.563 1.00 0.00 C ATOM 914 O LEU A 63 -0.552 -3.424 -3.007 1.00 0.00 O ATOM 915 CB LEU A 63 0.538 -4.656 -0.528 1.00 0.00 C ATOM 916 CG LEU A 63 -0.539 -3.923 0.274 1.00 0.00 C ATOM 917 CD1 LEU A 63 -1.353 -4.908 1.098 1.00 0.00 C ATOM 918 CD2 LEU A 63 0.091 -2.867 1.171 1.00 0.00 C ATOM 0 H LEU A 63 1.452 -5.099 -3.317 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.469 -6.300 -1.477 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.026 -5.376 0.129 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.296 -3.932 -0.827 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.210 -3.424 -0.425 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.114 -4.369 1.662 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.834 -5.627 0.435 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.695 -5.435 1.789 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.689 -2.355 1.734 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.784 -3.344 1.863 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.630 -2.144 0.559 1.00 0.00 H new ATOM 930 N ASN A 64 -2.139 -4.993 -2.727 1.00 0.00 N ATOM 931 CA ASN A 64 -3.159 -4.249 -3.456 1.00 0.00 C ATOM 932 C ASN A 64 -4.432 -4.115 -2.626 1.00 0.00 C ATOM 933 O ASN A 64 -5.204 -5.065 -2.497 1.00 0.00 O ATOM 934 CB ASN A 64 -3.472 -4.940 -4.784 1.00 0.00 C ATOM 935 CG ASN A 64 -4.634 -4.292 -5.513 1.00 0.00 C ATOM 936 OD1 ASN A 64 -5.717 -4.126 -4.953 1.00 0.00 O ATOM 937 ND2 ASN A 64 -4.413 -3.924 -6.770 1.00 0.00 N ATOM 0 H ASN A 64 -2.452 -5.893 -2.365 1.00 0.00 H new ATOM 0 HA ASN A 64 -2.771 -3.250 -3.657 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -2.588 -4.915 -5.421 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -3.702 -5.989 -4.599 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -5.157 -3.484 -7.311 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -3.499 -4.081 -7.194 1.00 0.00 H new ATOM 944 N VAL A 65 -4.645 -2.929 -2.066 1.00 0.00 N ATOM 945 CA VAL A 65 -5.826 -2.669 -1.250 1.00 0.00 C ATOM 946 C VAL A 65 -6.380 -1.274 -1.514 1.00 0.00 C ATOM 947 O VAL A 65 -5.792 -0.491 -2.262 1.00 0.00 O ATOM 948 CB VAL A 65 -5.512 -2.811 0.251 1.00 0.00 C ATOM 949 CG1 VAL A 65 -5.129 -4.245 0.584 1.00 0.00 C ATOM 950 CG2 VAL A 65 -4.407 -1.847 0.657 1.00 0.00 C ATOM 0 H VAL A 65 -4.015 -2.132 -2.162 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.574 -3.411 -1.529 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.409 -2.560 0.817 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.911 -4.325 1.649 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.955 -4.910 0.332 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.247 -4.528 0.010 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.198 -1.961 1.721 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.505 -2.065 0.084 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.725 -0.824 0.457 1.00 0.00 H new ATOM 960 N LEU A 66 -7.514 -0.967 -0.893 1.00 0.00 N ATOM 961 CA LEU A 66 -8.148 0.336 -1.060 1.00 0.00 C ATOM 962 C LEU A 66 -8.126 1.123 0.246 1.00 0.00 C ATOM 963 O LEU A 66 -8.641 0.666 1.267 1.00 0.00 O ATOM 964 CB LEU A 66 -9.591 0.165 -1.540 1.00 0.00 C ATOM 965 CG LEU A 66 -9.793 0.129 -3.055 1.00 0.00 C ATOM 966 CD1 LEU A 66 -11.226 -0.252 -3.393 1.00 0.00 C ATOM 967 CD2 LEU A 66 -9.438 1.474 -3.673 1.00 0.00 C ATOM 0 H LEU A 66 -8.013 -1.602 -0.270 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.585 0.893 -1.809 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.986 -0.759 -1.119 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -10.188 0.981 -1.133 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.129 -0.627 -3.473 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -11.351 -0.273 -4.476 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -11.447 -1.238 -2.983 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -11.908 0.481 -2.963 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -9.588 1.430 -4.752 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -10.077 2.249 -3.249 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.395 1.708 -3.461 1.00 0.00 H new ATOM 979 N ILE A 67 -7.527 2.309 0.206 1.00 0.00 N ATOM 980 CA ILE A 67 -7.440 3.161 1.386 1.00 0.00 C ATOM 981 C ILE A 67 -8.819 3.403 1.991 1.00 0.00 C ATOM 982 O ILE A 67 -9.651 4.121 1.436 1.00 0.00 O ATOM 983 CB ILE A 67 -6.792 4.518 1.053 1.00 0.00 C ATOM 984 CG1 ILE A 67 -5.360 4.316 0.554 1.00 0.00 C ATOM 985 CG2 ILE A 67 -6.810 5.426 2.274 1.00 0.00 C ATOM 986 CD1 ILE A 67 -4.773 5.542 -0.109 1.00 0.00 C ATOM 0 H ILE A 67 -7.095 2.701 -0.631 1.00 0.00 H new ATOM 0 HA ILE A 67 -6.815 2.637 2.109 1.00 0.00 H new ATOM 0 HB ILE A 67 -7.368 4.995 0.260 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.728 4.030 1.395 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.344 3.487 -0.154 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -6.349 6.381 2.024 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -7.840 5.592 2.589 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -6.254 4.956 3.085 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -3.756 5.326 -0.438 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -5.382 5.817 -0.970 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -4.757 6.368 0.602 1.00 0.00 H new ATOM 998 N PRO A 68 -9.068 2.792 3.159 1.00 0.00 N ATOM 999 CA PRO A 68 -10.344 2.928 3.867 1.00 0.00 C ATOM 1000 C PRO A 68 -10.540 4.325 4.445 1.00 0.00 C ATOM 1001 O PRO A 68 -9.618 5.139 4.491 1.00 0.00 O ATOM 1002 CB PRO A 68 -10.237 1.894 4.992 1.00 0.00 C ATOM 1003 CG PRO A 68 -8.774 1.733 5.220 1.00 0.00 C ATOM 1004 CD PRO A 68 -8.122 1.921 3.878 1.00 0.00 C ATOM 0 HA PRO A 68 -11.196 2.772 3.205 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -10.743 2.237 5.894 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -10.700 0.949 4.707 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -8.408 2.467 5.938 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -8.549 0.748 5.629 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -7.139 2.384 3.970 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -7.980 0.971 3.363 1.00 0.00 H new ATOM 1012 N PRO A 69 -11.770 4.612 4.898 1.00 0.00 N ATOM 1013 CA PRO A 69 -12.116 5.911 5.482 1.00 0.00 C ATOM 1014 C PRO A 69 -11.458 6.129 6.840 1.00 0.00 C ATOM 1015 O PRO A 69 -11.059 7.244 7.175 1.00 0.00 O ATOM 1016 CB PRO A 69 -13.638 5.840 5.629 1.00 0.00 C ATOM 1017 CG PRO A 69 -13.941 4.385 5.729 1.00 0.00 C ATOM 1018 CD PRO A 69 -12.917 3.689 4.875 1.00 0.00 C ATOM 0 HA PRO A 69 -11.773 6.741 4.864 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -13.976 6.377 6.516 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -14.140 6.291 4.773 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -13.883 4.045 6.763 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -14.951 4.172 5.379 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -12.654 2.711 5.279 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -13.282 3.527 3.861 1.00 0.00 H new ATOM 1026 N ASN A 70 -11.348 5.058 7.618 1.00 0.00 N ATOM 1027 CA ASN A 70 -10.739 5.133 8.941 1.00 0.00 C ATOM 1028 C ASN A 70 -9.437 4.338 8.986 1.00 0.00 C ATOM 1029 O ASN A 70 -9.450 3.108 8.993 1.00 0.00 O ATOM 1030 CB ASN A 70 -11.707 4.607 10.003 1.00 0.00 C ATOM 1031 CG ASN A 70 -12.239 3.227 9.668 1.00 0.00 C ATOM 1032 OD1 ASN A 70 -12.851 3.023 8.619 1.00 0.00 O ATOM 1033 ND2 ASN A 70 -12.006 2.271 10.560 1.00 0.00 N ATOM 0 H ASN A 70 -11.673 4.127 7.355 1.00 0.00 H new ATOM 0 HA ASN A 70 -10.514 6.179 9.151 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -11.201 4.574 10.968 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -12.542 5.300 10.105 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -12.339 1.322 10.389 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -11.494 2.486 11.416 1.00 0.00 H new ATOM 1040 N MET A 71 -8.316 5.051 9.018 1.00 0.00 N ATOM 1041 CA MET A 71 -7.006 4.412 9.064 1.00 0.00 C ATOM 1042 C MET A 71 -6.036 5.221 9.920 1.00 0.00 C ATOM 1043 O MET A 71 -5.732 6.378 9.629 1.00 0.00 O ATOM 1044 CB MET A 71 -6.444 4.249 7.651 1.00 0.00 C ATOM 1045 CG MET A 71 -5.009 3.746 7.621 1.00 0.00 C ATOM 1046 SD MET A 71 -4.166 4.143 6.078 1.00 0.00 S ATOM 1047 CE MET A 71 -2.710 4.986 6.695 1.00 0.00 C ATOM 0 H MET A 71 -8.288 6.071 9.013 1.00 0.00 H new ATOM 0 HA MET A 71 -7.126 3.427 9.515 1.00 0.00 H new ATOM 0 HB2 MET A 71 -7.075 3.555 7.096 1.00 0.00 H new ATOM 0 HB3 MET A 71 -6.495 5.208 7.136 1.00 0.00 H new ATOM 0 HG2 MET A 71 -4.458 4.182 8.454 1.00 0.00 H new ATOM 0 HG3 MET A 71 -5.004 2.666 7.766 1.00 0.00 H new ATOM 0 HE1 MET A 71 -1.894 4.873 5.981 1.00 0.00 H new ATOM 0 HE2 MET A 71 -2.932 6.045 6.828 1.00 0.00 H new ATOM 0 HE3 MET A 71 -2.417 4.554 7.652 1.00 0.00 H new ATOM 1057 N PRO A 72 -5.539 4.601 11.000 1.00 0.00 N ATOM 1058 CA PRO A 72 -4.596 5.246 11.919 1.00 0.00 C ATOM 1059 C PRO A 72 -3.225 5.458 11.288 1.00 0.00 C ATOM 1060 O PRO A 72 -2.803 4.688 10.424 1.00 0.00 O ATOM 1061 CB PRO A 72 -4.502 4.256 13.083 1.00 0.00 C ATOM 1062 CG PRO A 72 -4.851 2.936 12.486 1.00 0.00 C ATOM 1063 CD PRO A 72 -5.858 3.222 11.407 1.00 0.00 C ATOM 0 HA PRO A 72 -4.930 6.241 12.214 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -3.500 4.244 13.513 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -5.190 4.522 13.886 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -3.967 2.448 12.075 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -5.265 2.265 13.238 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -5.764 2.525 10.574 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -6.879 3.139 11.778 1.00 0.00 H new ATOM 1071 N CYS A 73 -2.533 6.505 11.725 1.00 0.00 N ATOM 1072 CA CYS A 73 -1.208 6.818 11.202 1.00 0.00 C ATOM 1073 C CYS A 73 -0.167 6.804 12.316 1.00 0.00 C ATOM 1074 O CYS A 73 -0.427 7.259 13.431 1.00 0.00 O ATOM 1075 CB CYS A 73 -1.218 8.184 10.514 1.00 0.00 C ATOM 1076 SG CYS A 73 -1.666 9.556 11.603 1.00 0.00 S ATOM 0 H CYS A 73 -2.868 7.151 12.440 1.00 0.00 H new ATOM 0 HA CYS A 73 -0.943 6.054 10.472 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -0.230 8.375 10.095 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -1.918 8.153 9.679 1.00 0.00 H new ATOM 0 HG CYS A 73 -1.391 9.241 12.834 1.00 0.00 H new ATOM 1082 N THR A 74 1.015 6.278 12.009 1.00 0.00 N ATOM 1083 CA THR A 74 2.095 6.202 12.984 1.00 0.00 C ATOM 1084 C THR A 74 3.446 6.462 12.330 1.00 0.00 C ATOM 1085 O THR A 74 3.974 5.612 11.612 1.00 0.00 O ATOM 1086 CB THR A 74 2.130 4.827 13.678 1.00 0.00 C ATOM 1087 OG1 THR A 74 1.986 3.784 12.707 1.00 0.00 O ATOM 1088 CG2 THR A 74 1.023 4.716 14.716 1.00 0.00 C ATOM 0 H THR A 74 1.248 5.898 11.092 1.00 0.00 H new ATOM 0 HA THR A 74 1.901 6.973 13.730 1.00 0.00 H new ATOM 0 HB THR A 74 3.091 4.724 14.182 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.065 4.162 11.806 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.068 3.737 15.193 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.152 5.493 15.470 1.00 0.00 H new ATOM 0 HG23 THR A 74 0.055 4.839 14.230 1.00 0.00 H new ATOM 1096 N ARG A 75 4.003 7.643 12.581 1.00 0.00 N ATOM 1097 CA ARG A 75 5.294 8.015 12.015 1.00 0.00 C ATOM 1098 C ARG A 75 6.428 7.680 12.980 1.00 0.00 C ATOM 1099 O ARG A 75 6.547 8.280 14.049 1.00 0.00 O ATOM 1100 CB ARG A 75 5.317 9.508 11.683 1.00 0.00 C ATOM 1101 CG ARG A 75 4.868 9.824 10.266 1.00 0.00 C ATOM 1102 CD ARG A 75 5.929 9.441 9.247 1.00 0.00 C ATOM 1103 NE ARG A 75 6.924 10.496 9.070 1.00 0.00 N ATOM 1104 CZ ARG A 75 8.045 10.575 9.779 1.00 0.00 C ATOM 1105 NH1 ARG A 75 8.311 9.667 10.707 1.00 0.00 N ATOM 1106 NH2 ARG A 75 8.901 11.564 9.560 1.00 0.00 N ATOM 0 H ARG A 75 3.580 8.358 13.173 1.00 0.00 H new ATOM 0 HA ARG A 75 5.439 7.443 11.099 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.674 10.038 12.386 1.00 0.00 H new ATOM 0 HB3 ARG A 75 6.328 9.888 11.828 1.00 0.00 H new ATOM 0 HG2 ARG A 75 3.943 9.289 10.048 1.00 0.00 H new ATOM 0 HG3 ARG A 75 4.648 10.888 10.182 1.00 0.00 H new ATOM 0 HD2 ARG A 75 6.425 8.525 9.567 1.00 0.00 H new ATOM 0 HD3 ARG A 75 5.452 9.228 8.290 1.00 0.00 H new ATOM 0 HE ARG A 75 6.749 11.211 8.364 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.655 8.905 10.878 1.00 0.00 H new ATOM 0 HH12 ARG A 75 9.172 9.730 11.250 1.00 0.00 H new ATOM 0 HH21 ARG A 75 8.699 12.265 8.847 1.00 0.00 H new ATOM 0 HH22 ARG A 75 9.761 11.624 10.105 1.00 0.00 H new ATOM 1120 N THR A 76 7.259 6.716 12.596 1.00 0.00 N ATOM 1121 CA THR A 76 8.381 6.299 13.426 1.00 0.00 C ATOM 1122 C THR A 76 9.707 6.761 12.832 1.00 0.00 C ATOM 1123 O THR A 76 9.805 7.016 11.632 1.00 0.00 O ATOM 1124 CB THR A 76 8.415 4.768 13.598 1.00 0.00 C ATOM 1125 OG1 THR A 76 9.604 4.380 14.295 1.00 0.00 O ATOM 1126 CG2 THR A 76 8.363 4.071 12.247 1.00 0.00 C ATOM 0 H THR A 76 7.175 6.209 11.715 1.00 0.00 H new ATOM 0 HA THR A 76 8.241 6.764 14.402 1.00 0.00 H new ATOM 0 HB THR A 76 7.541 4.470 14.177 1.00 0.00 H new ATOM 0 HG1 THR A 76 9.617 3.406 14.402 1.00 0.00 H new ATOM 0 HG21 THR A 76 8.388 2.991 12.393 1.00 0.00 H new ATOM 0 HG22 THR A 76 7.443 4.346 11.731 1.00 0.00 H new ATOM 0 HG23 THR A 76 9.220 4.376 11.647 1.00 0.00 H new ATOM 1134 N GLY A 77 10.726 6.868 13.680 1.00 0.00 N ATOM 1135 CA GLY A 77 12.032 7.299 13.219 1.00 0.00 C ATOM 1136 C GLY A 77 11.974 8.606 12.453 1.00 0.00 C ATOM 1137 O GLY A 77 11.165 9.481 12.763 1.00 0.00 O ATOM 0 H GLY A 77 10.670 6.664 14.678 1.00 0.00 H new ATOM 0 HA2 GLY A 77 12.697 7.412 14.075 1.00 0.00 H new ATOM 0 HA3 GLY A 77 12.462 6.527 12.581 1.00 0.00 H new ATOM 1141 N LYS A 78 12.836 8.741 11.450 1.00 0.00 N ATOM 1142 CA LYS A 78 12.880 9.950 10.637 1.00 0.00 C ATOM 1143 C LYS A 78 12.501 9.648 9.191 1.00 0.00 C ATOM 1144 O LYS A 78 11.864 10.462 8.523 1.00 0.00 O ATOM 1145 CB LYS A 78 14.277 10.573 10.689 1.00 0.00 C ATOM 1146 CG LYS A 78 15.264 9.937 9.725 1.00 0.00 C ATOM 1147 CD LYS A 78 16.689 10.033 10.242 1.00 0.00 C ATOM 1148 CE LYS A 78 16.988 8.942 11.259 1.00 0.00 C ATOM 1149 NZ LYS A 78 17.120 7.605 10.616 1.00 0.00 N ATOM 0 H LYS A 78 13.513 8.027 11.181 1.00 0.00 H new ATOM 0 HA LYS A 78 12.157 10.657 11.043 1.00 0.00 H new ATOM 0 HB2 LYS A 78 14.199 11.637 10.467 1.00 0.00 H new ATOM 0 HB3 LYS A 78 14.666 10.487 11.703 1.00 0.00 H new ATOM 0 HG2 LYS A 78 15.001 8.890 9.572 1.00 0.00 H new ATOM 0 HG3 LYS A 78 15.194 10.428 8.755 1.00 0.00 H new ATOM 0 HD2 LYS A 78 17.386 9.955 9.408 1.00 0.00 H new ATOM 0 HD3 LYS A 78 16.847 11.010 10.698 1.00 0.00 H new ATOM 0 HE2 LYS A 78 17.909 9.183 11.789 1.00 0.00 H new ATOM 0 HE3 LYS A 78 16.191 8.910 12.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 16.918 6.862 11.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 16.446 7.531 9.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 18.089 7.487 10.256 1.00 0.00 H new ATOM 1163 N ASN A 79 12.895 8.472 8.714 1.00 0.00 N ATOM 1164 CA ASN A 79 12.595 8.062 7.347 1.00 0.00 C ATOM 1165 C ASN A 79 11.723 6.810 7.333 1.00 0.00 C ATOM 1166 O ASN A 79 11.606 6.134 6.312 1.00 0.00 O ATOM 1167 CB ASN A 79 13.890 7.803 6.574 1.00 0.00 C ATOM 1168 CG ASN A 79 14.719 6.692 7.189 1.00 0.00 C ATOM 1169 OD1 ASN A 79 15.081 6.751 8.364 1.00 0.00 O ATOM 1170 ND2 ASN A 79 15.022 5.672 6.396 1.00 0.00 N ATOM 0 H ASN A 79 13.423 7.786 9.254 1.00 0.00 H new ATOM 0 HA ASN A 79 12.047 8.871 6.864 1.00 0.00 H new ATOM 0 HB2 ASN A 79 13.649 7.544 5.543 1.00 0.00 H new ATOM 0 HB3 ASN A 79 14.481 8.719 6.543 1.00 0.00 H new ATOM 0 HD21 ASN A 79 15.577 4.895 6.754 1.00 0.00 H new ATOM 0 HD22 ASN A 79 14.700 5.665 5.428 1.00 0.00 H new ATOM 1177 N ASN A 80 11.112 6.509 8.474 1.00 0.00 N ATOM 1178 CA ASN A 80 10.250 5.339 8.594 1.00 0.00 C ATOM 1179 C ASN A 80 8.789 5.752 8.741 1.00 0.00 C ATOM 1180 O ASN A 80 8.486 6.826 9.261 1.00 0.00 O ATOM 1181 CB ASN A 80 10.674 4.487 9.792 1.00 0.00 C ATOM 1182 CG ASN A 80 12.139 4.100 9.737 1.00 0.00 C ATOM 1183 OD1 ASN A 80 12.922 4.462 10.615 1.00 0.00 O ATOM 1184 ND2 ASN A 80 12.517 3.360 8.700 1.00 0.00 N ATOM 0 H ASN A 80 11.198 7.059 9.329 1.00 0.00 H new ATOM 0 HA ASN A 80 10.352 4.749 7.683 1.00 0.00 H new ATOM 0 HB2 ASN A 80 10.481 5.038 10.713 1.00 0.00 H new ATOM 0 HB3 ASN A 80 10.064 3.585 9.827 1.00 0.00 H new ATOM 0 HD21 ASN A 80 13.490 3.069 8.609 1.00 0.00 H new ATOM 0 HD22 ASN A 80 11.834 3.083 7.995 1.00 0.00 H new ATOM 1191 N VAL A 81 7.887 4.891 8.280 1.00 0.00 N ATOM 1192 CA VAL A 81 6.457 5.165 8.362 1.00 0.00 C ATOM 1193 C VAL A 81 5.664 3.884 8.595 1.00 0.00 C ATOM 1194 O VAL A 81 5.916 2.861 7.957 1.00 0.00 O ATOM 1195 CB VAL A 81 5.942 5.849 7.081 1.00 0.00 C ATOM 1196 CG1 VAL A 81 4.471 6.206 7.221 1.00 0.00 C ATOM 1197 CG2 VAL A 81 6.772 7.085 6.768 1.00 0.00 C ATOM 0 H VAL A 81 8.121 3.998 7.846 1.00 0.00 H new ATOM 0 HA VAL A 81 6.312 5.837 9.208 1.00 0.00 H new ATOM 0 HB VAL A 81 6.044 5.151 6.250 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.125 6.688 6.307 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.891 5.299 7.395 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.340 6.887 8.062 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.395 7.556 5.860 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.704 7.789 7.597 1.00 0.00 H new ATOM 0 HG23 VAL A 81 7.813 6.797 6.622 1.00 0.00 H new ATOM 1207 N LEU A 82 4.705 3.947 9.511 1.00 0.00 N ATOM 1208 CA LEU A 82 3.873 2.791 9.828 1.00 0.00 C ATOM 1209 C LEU A 82 2.398 3.102 9.595 1.00 0.00 C ATOM 1210 O LEU A 82 1.951 4.231 9.799 1.00 0.00 O ATOM 1211 CB LEU A 82 4.092 2.363 11.281 1.00 0.00 C ATOM 1212 CG LEU A 82 5.206 1.343 11.519 1.00 0.00 C ATOM 1213 CD1 LEU A 82 5.806 1.522 12.905 1.00 0.00 C ATOM 1214 CD2 LEU A 82 4.679 -0.073 11.342 1.00 0.00 C ATOM 0 H LEU A 82 4.484 4.786 10.048 1.00 0.00 H new ATOM 0 HA LEU A 82 4.162 1.974 9.167 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.309 3.253 11.872 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.159 1.947 11.661 1.00 0.00 H new ATOM 0 HG LEU A 82 5.991 1.511 10.782 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.597 0.788 13.057 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.221 2.526 12.995 1.00 0.00 H new ATOM 0 HD13 LEU A 82 5.031 1.381 13.658 1.00 0.00 H new ATOM 0 HD21 LEU A 82 5.485 -0.786 11.515 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.875 -0.254 12.056 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.298 -0.195 10.328 1.00 0.00 H new ATOM 1226 N ILE A 83 1.646 2.092 9.169 1.00 0.00 N ATOM 1227 CA ILE A 83 0.221 2.257 8.912 1.00 0.00 C ATOM 1228 C ILE A 83 -0.525 0.938 9.083 1.00 0.00 C ATOM 1229 O ILE A 83 0.001 -0.130 8.769 1.00 0.00 O ATOM 1230 CB ILE A 83 -0.036 2.799 7.493 1.00 0.00 C ATOM 1231 CG1 ILE A 83 0.542 1.844 6.447 1.00 0.00 C ATOM 1232 CG2 ILE A 83 0.564 4.188 7.340 1.00 0.00 C ATOM 1233 CD1 ILE A 83 -0.072 2.009 5.074 1.00 0.00 C ATOM 0 H ILE A 83 2.000 1.151 8.995 1.00 0.00 H new ATOM 0 HA ILE A 83 -0.150 2.978 9.640 1.00 0.00 H new ATOM 0 HB ILE A 83 -1.112 2.871 7.336 1.00 0.00 H new ATOM 0 HG12 ILE A 83 1.618 2.003 6.377 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.393 0.818 6.782 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.374 4.557 6.332 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.109 4.863 8.065 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.639 4.141 7.513 1.00 0.00 H new ATOM 0 HD11 ILE A 83 0.385 1.300 4.383 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -1.144 1.821 5.130 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.100 3.025 4.718 1.00 0.00 H new ATOM 1245 N VAL A 84 -1.754 1.019 9.581 1.00 0.00 N ATOM 1246 CA VAL A 84 -2.575 -0.168 9.791 1.00 0.00 C ATOM 1247 C VAL A 84 -3.528 -0.390 8.622 1.00 0.00 C ATOM 1248 O VAL A 84 -4.400 0.437 8.353 1.00 0.00 O ATOM 1249 CB VAL A 84 -3.391 -0.063 11.093 1.00 0.00 C ATOM 1250 CG1 VAL A 84 -4.241 -1.308 11.292 1.00 0.00 C ATOM 1251 CG2 VAL A 84 -2.469 0.159 12.282 1.00 0.00 C ATOM 0 H VAL A 84 -2.204 1.895 9.847 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.894 -1.015 9.866 1.00 0.00 H new ATOM 0 HB VAL A 84 -4.059 0.795 11.015 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -4.810 -1.216 12.217 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -4.928 -1.418 10.453 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.595 -2.184 11.349 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.062 0.231 13.194 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.775 -0.677 12.365 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.908 1.083 12.140 1.00 0.00 H new ATOM 1261 N CYS A 85 -3.358 -1.513 7.933 1.00 0.00 N ATOM 1262 CA CYS A 85 -4.204 -1.845 6.792 1.00 0.00 C ATOM 1263 C CYS A 85 -4.254 -3.354 6.573 1.00 0.00 C ATOM 1264 O CYS A 85 -3.394 -4.091 7.057 1.00 0.00 O ATOM 1265 CB CYS A 85 -3.689 -1.151 5.530 1.00 0.00 C ATOM 1266 SG CYS A 85 -2.012 -1.633 5.054 1.00 0.00 S ATOM 0 H CYS A 85 -2.643 -2.209 8.144 1.00 0.00 H new ATOM 0 HA CYS A 85 -5.214 -1.493 7.005 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -4.367 -1.371 4.705 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -3.715 -0.072 5.685 1.00 0.00 H new ATOM 0 HG CYS A 85 -1.667 -0.995 3.975 1.00 0.00 H new ATOM 1272 N VAL A 86 -5.267 -3.807 5.842 1.00 0.00 N ATOM 1273 CA VAL A 86 -5.430 -5.228 5.559 1.00 0.00 C ATOM 1274 C VAL A 86 -4.519 -5.670 4.420 1.00 0.00 C ATOM 1275 O VAL A 86 -4.648 -5.223 3.280 1.00 0.00 O ATOM 1276 CB VAL A 86 -6.888 -5.564 5.196 1.00 0.00 C ATOM 1277 CG1 VAL A 86 -7.014 -7.024 4.788 1.00 0.00 C ATOM 1278 CG2 VAL A 86 -7.814 -5.245 6.360 1.00 0.00 C ATOM 0 H VAL A 86 -5.987 -3.211 5.435 1.00 0.00 H new ATOM 0 HA VAL A 86 -5.157 -5.765 6.467 1.00 0.00 H new ATOM 0 HB VAL A 86 -7.184 -4.948 4.347 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -8.051 -7.243 4.535 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -6.381 -7.216 3.922 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -6.700 -7.661 5.615 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -8.840 -5.489 6.086 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.521 -5.833 7.230 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -7.745 -4.184 6.600 1.00 0.00 H new ATOM 1288 N PRO A 87 -3.574 -6.570 4.732 1.00 0.00 N ATOM 1289 CA PRO A 87 -2.623 -7.093 3.748 1.00 0.00 C ATOM 1290 C PRO A 87 -3.290 -8.005 2.724 1.00 0.00 C ATOM 1291 O PRO A 87 -3.963 -8.970 3.084 1.00 0.00 O ATOM 1292 CB PRO A 87 -1.629 -7.885 4.601 1.00 0.00 C ATOM 1293 CG PRO A 87 -2.397 -8.270 5.818 1.00 0.00 C ATOM 1294 CD PRO A 87 -3.362 -7.145 6.071 1.00 0.00 C ATOM 0 HA PRO A 87 -2.164 -6.296 3.163 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -1.263 -8.763 4.069 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -0.758 -7.282 4.857 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -2.926 -9.211 5.665 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -1.732 -8.413 6.670 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -4.294 -7.505 6.506 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -2.950 -6.410 6.763 1.00 0.00 H new ATOM 1302 N ASN A 88 -3.100 -7.691 1.446 1.00 0.00 N ATOM 1303 CA ASN A 88 -3.685 -8.483 0.370 1.00 0.00 C ATOM 1304 C ASN A 88 -2.620 -8.896 -0.642 1.00 0.00 C ATOM 1305 O ASN A 88 -1.997 -8.063 -1.299 1.00 0.00 O ATOM 1306 CB ASN A 88 -4.791 -7.691 -0.331 1.00 0.00 C ATOM 1307 CG ASN A 88 -5.914 -7.308 0.613 1.00 0.00 C ATOM 1308 OD1 ASN A 88 -5.706 -7.166 1.818 1.00 0.00 O ATOM 1309 ND2 ASN A 88 -7.113 -7.138 0.068 1.00 0.00 N ATOM 0 H ASN A 88 -2.546 -6.895 1.131 1.00 0.00 H new ATOM 0 HA ASN A 88 -4.114 -9.384 0.808 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -4.366 -6.789 -0.770 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -5.196 -8.285 -1.151 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -7.907 -6.879 0.653 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -7.240 -7.266 -0.936 1.00 0.00 H new ATOM 1316 N PRO A 89 -2.406 -10.214 -0.771 1.00 0.00 N ATOM 1317 CA PRO A 89 -3.141 -11.215 0.007 1.00 0.00 C ATOM 1318 C PRO A 89 -2.758 -11.198 1.483 1.00 0.00 C ATOM 1319 O PRO A 89 -1.667 -10.771 1.861 1.00 0.00 O ATOM 1320 CB PRO A 89 -2.727 -12.540 -0.637 1.00 0.00 C ATOM 1321 CG PRO A 89 -1.394 -12.265 -1.245 1.00 0.00 C ATOM 1322 CD PRO A 89 -1.429 -10.828 -1.686 1.00 0.00 C ATOM 0 HA PRO A 89 -4.216 -11.035 -0.010 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -2.668 -13.338 0.103 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -3.448 -12.857 -1.390 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -0.594 -12.433 -0.524 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -1.206 -12.928 -2.089 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -0.449 -10.358 -1.602 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -1.739 -10.734 -2.727 1.00 0.00 H new ATOM 1330 N PRO A 90 -3.676 -11.674 2.339 1.00 0.00 N ATOM 1331 CA PRO A 90 -3.456 -11.725 3.787 1.00 0.00 C ATOM 1332 C PRO A 90 -2.409 -12.763 4.179 1.00 0.00 C ATOM 1333 O PRO A 90 -2.415 -13.885 3.672 1.00 0.00 O ATOM 1334 CB PRO A 90 -4.828 -12.114 4.341 1.00 0.00 C ATOM 1335 CG PRO A 90 -5.496 -12.840 3.224 1.00 0.00 C ATOM 1336 CD PRO A 90 -4.998 -12.199 1.958 1.00 0.00 C ATOM 0 HA PRO A 90 -3.077 -10.779 4.175 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -4.734 -12.746 5.224 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -5.399 -11.234 4.639 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -5.251 -13.902 3.247 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -6.580 -12.762 3.301 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -4.925 -12.920 1.144 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -5.664 -11.405 1.621 1.00 0.00 H new ATOM 1344 N ILE A 91 -1.514 -12.381 5.083 1.00 0.00 N ATOM 1345 CA ILE A 91 -0.463 -13.280 5.543 1.00 0.00 C ATOM 1346 C ILE A 91 -1.012 -14.315 6.519 1.00 0.00 C ATOM 1347 O ILE A 91 -0.684 -15.498 6.436 1.00 0.00 O ATOM 1348 CB ILE A 91 0.682 -12.507 6.223 1.00 0.00 C ATOM 1349 CG1 ILE A 91 1.245 -11.446 5.274 1.00 0.00 C ATOM 1350 CG2 ILE A 91 1.779 -13.464 6.665 1.00 0.00 C ATOM 1351 CD1 ILE A 91 1.804 -10.234 5.986 1.00 0.00 C ATOM 0 H ILE A 91 -1.495 -11.456 5.511 1.00 0.00 H new ATOM 0 HA ILE A 91 -0.074 -13.787 4.660 1.00 0.00 H new ATOM 0 HB ILE A 91 0.287 -12.005 7.106 1.00 0.00 H new ATOM 0 HG12 ILE A 91 2.031 -11.894 4.666 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.457 -11.126 4.592 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.581 -12.902 7.144 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.369 -14.186 7.372 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.174 -13.991 5.796 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.185 -9.524 5.252 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.016 -9.761 6.573 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.614 -10.542 6.647 1.00 0.00 H new ATOM 1363 N ASP A 92 -1.852 -13.861 7.443 1.00 0.00 N ATOM 1364 CA ASP A 92 -2.451 -14.747 8.434 1.00 0.00 C ATOM 1365 C ASP A 92 -3.822 -15.231 7.973 1.00 0.00 C ATOM 1366 O ASP A 92 -4.555 -14.502 7.306 1.00 0.00 O ATOM 1367 CB ASP A 92 -2.575 -14.032 9.780 1.00 0.00 C ATOM 1368 CG ASP A 92 -1.298 -13.316 10.176 1.00 0.00 C ATOM 1369 OD1 ASP A 92 -0.214 -13.751 9.735 1.00 0.00 O ATOM 1370 OD2 ASP A 92 -1.382 -12.322 10.927 1.00 0.00 O ATOM 0 H ASP A 92 -2.133 -12.884 7.526 1.00 0.00 H new ATOM 0 HA ASP A 92 -1.800 -15.614 8.550 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -3.392 -13.312 9.731 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -2.835 -14.757 10.551 1.00 0.00 H new ATOM 1375 N GLU A 93 -4.160 -16.465 8.332 1.00 0.00 N ATOM 1376 CA GLU A 93 -5.442 -17.046 7.953 1.00 0.00 C ATOM 1377 C GLU A 93 -6.513 -16.726 8.992 1.00 0.00 C ATOM 1378 O GLU A 93 -7.673 -16.490 8.653 1.00 0.00 O ATOM 1379 CB GLU A 93 -5.312 -18.562 7.789 1.00 0.00 C ATOM 1380 CG GLU A 93 -4.605 -18.977 6.509 1.00 0.00 C ATOM 1381 CD GLU A 93 -5.062 -20.332 6.004 1.00 0.00 C ATOM 1382 OE1 GLU A 93 -6.081 -20.384 5.284 1.00 0.00 O ATOM 1383 OE2 GLU A 93 -4.399 -21.339 6.328 1.00 0.00 O ATOM 0 H GLU A 93 -3.564 -17.081 8.885 1.00 0.00 H new ATOM 0 HA GLU A 93 -5.742 -16.609 7.001 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -4.767 -18.966 8.642 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -6.307 -19.008 7.806 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -4.785 -18.227 5.739 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -3.529 -19.002 6.684 1.00 0.00 H new ATOM 1390 N LYS A 94 -6.116 -16.721 10.260 1.00 0.00 N ATOM 1391 CA LYS A 94 -7.039 -16.430 11.350 1.00 0.00 C ATOM 1392 C LYS A 94 -7.268 -14.928 11.483 1.00 0.00 C ATOM 1393 O LYS A 94 -8.401 -14.475 11.640 1.00 0.00 O ATOM 1394 CB LYS A 94 -6.499 -16.993 12.667 1.00 0.00 C ATOM 1395 CG LYS A 94 -6.358 -18.505 12.670 1.00 0.00 C ATOM 1396 CD LYS A 94 -7.688 -19.189 12.939 1.00 0.00 C ATOM 1397 CE LYS A 94 -7.922 -19.386 14.429 1.00 0.00 C ATOM 1398 NZ LYS A 94 -8.518 -18.177 15.062 1.00 0.00 N ATOM 0 H LYS A 94 -5.160 -16.915 10.558 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.993 -16.906 11.122 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -5.526 -16.545 12.872 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -7.164 -16.697 13.479 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -5.965 -18.837 11.709 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -5.635 -18.802 13.429 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -8.497 -18.592 12.518 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -7.710 -20.155 12.435 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -8.582 -20.239 14.583 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.976 -19.622 14.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -9.124 -18.464 15.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -7.759 -17.558 15.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -9.088 -17.663 14.360 1.00 0.00 H new ATOM 1412 N ASN A 95 -6.185 -14.161 11.418 1.00 0.00 N ATOM 1413 CA ASN A 95 -6.269 -12.709 11.530 1.00 0.00 C ATOM 1414 C ASN A 95 -6.477 -12.069 10.161 1.00 0.00 C ATOM 1415 O ASN A 95 -6.432 -10.847 10.022 1.00 0.00 O ATOM 1416 CB ASN A 95 -4.999 -12.153 12.177 1.00 0.00 C ATOM 1417 CG ASN A 95 -4.612 -12.908 13.434 1.00 0.00 C ATOM 1418 OD1 ASN A 95 -3.697 -13.732 13.419 1.00 0.00 O ATOM 1419 ND2 ASN A 95 -5.310 -12.631 14.529 1.00 0.00 N ATOM 0 H ASN A 95 -5.239 -14.520 11.288 1.00 0.00 H new ATOM 0 HA ASN A 95 -7.126 -12.467 12.159 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -4.179 -12.201 11.461 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -5.149 -11.101 12.420 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -5.096 -13.109 15.405 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -6.060 -11.940 14.495 1.00 0.00 H new ATOM 1426 N ALA A 96 -6.706 -12.904 9.152 1.00 0.00 N ATOM 1427 CA ALA A 96 -6.924 -12.420 7.794 1.00 0.00 C ATOM 1428 C ALA A 96 -7.758 -11.143 7.794 1.00 0.00 C ATOM 1429 O ALA A 96 -7.284 -10.080 7.391 1.00 0.00 O ATOM 1430 CB ALA A 96 -7.599 -13.493 6.954 1.00 0.00 C ATOM 0 H ALA A 96 -6.745 -13.919 9.250 1.00 0.00 H new ATOM 0 HA ALA A 96 -5.953 -12.189 7.356 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.756 -13.118 5.943 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -6.966 -14.379 6.918 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -8.560 -13.752 7.398 1.00 0.00 H new ATOM 1436 N THR A 97 -9.002 -11.254 8.248 1.00 0.00 N ATOM 1437 CA THR A 97 -9.902 -10.108 8.298 1.00 0.00 C ATOM 1438 C THR A 97 -9.241 -8.919 8.985 1.00 0.00 C ATOM 1439 O THR A 97 -9.290 -7.795 8.484 1.00 0.00 O ATOM 1440 CB THR A 97 -11.209 -10.452 9.039 1.00 0.00 C ATOM 1441 OG1 THR A 97 -10.918 -10.870 10.377 1.00 0.00 O ATOM 1442 CG2 THR A 97 -11.968 -11.553 8.313 1.00 0.00 C ATOM 0 H THR A 97 -9.410 -12.126 8.586 1.00 0.00 H new ATOM 0 HA THR A 97 -10.135 -9.845 7.266 1.00 0.00 H new ATOM 0 HB THR A 97 -11.832 -9.558 9.065 1.00 0.00 H new ATOM 0 HG1 THR A 97 -11.754 -11.085 10.842 1.00 0.00 H new ATOM 0 HG21 THR A 97 -12.887 -11.779 8.854 1.00 0.00 H new ATOM 0 HG22 THR A 97 -12.213 -11.221 7.304 1.00 0.00 H new ATOM 0 HG23 THR A 97 -11.348 -12.448 8.260 1.00 0.00 H new ATOM 1450 N MET A 98 -8.621 -9.173 10.132 1.00 0.00 N ATOM 1451 CA MET A 98 -7.948 -8.122 10.886 1.00 0.00 C ATOM 1452 C MET A 98 -6.671 -7.679 10.179 1.00 0.00 C ATOM 1453 O MET A 98 -5.889 -8.494 9.689 1.00 0.00 O ATOM 1454 CB MET A 98 -7.619 -8.609 12.299 1.00 0.00 C ATOM 1455 CG MET A 98 -7.638 -7.503 13.342 1.00 0.00 C ATOM 1456 SD MET A 98 -6.050 -6.660 13.489 1.00 0.00 S ATOM 1457 CE MET A 98 -6.546 -5.144 14.304 1.00 0.00 C ATOM 0 H MET A 98 -8.571 -10.098 10.560 1.00 0.00 H new ATOM 0 HA MET A 98 -8.622 -7.268 10.951 1.00 0.00 H new ATOM 0 HB2 MET A 98 -8.335 -9.379 12.585 1.00 0.00 H new ATOM 0 HB3 MET A 98 -6.634 -9.076 12.294 1.00 0.00 H new ATOM 0 HG2 MET A 98 -8.408 -6.777 13.082 1.00 0.00 H new ATOM 0 HG3 MET A 98 -7.912 -7.925 14.309 1.00 0.00 H new ATOM 0 HE1 MET A 98 -5.856 -4.344 14.036 1.00 0.00 H new ATOM 0 HE2 MET A 98 -7.554 -4.874 13.989 1.00 0.00 H new ATOM 0 HE3 MET A 98 -6.530 -5.290 15.384 1.00 0.00 H new ATOM 1467 N PRO A 99 -6.453 -6.357 10.123 1.00 0.00 N ATOM 1468 CA PRO A 99 -5.272 -5.776 9.478 1.00 0.00 C ATOM 1469 C PRO A 99 -3.991 -6.053 10.257 1.00 0.00 C ATOM 1470 O PRO A 99 -4.034 -6.481 11.410 1.00 0.00 O ATOM 1471 CB PRO A 99 -5.576 -4.276 9.465 1.00 0.00 C ATOM 1472 CG PRO A 99 -6.520 -4.071 10.600 1.00 0.00 C ATOM 1473 CD PRO A 99 -7.343 -5.327 10.685 1.00 0.00 C ATOM 0 HA PRO A 99 -5.100 -6.198 8.488 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -4.668 -3.687 9.594 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -6.022 -3.971 8.519 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -5.980 -3.895 11.530 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -7.153 -3.200 10.429 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -7.623 -5.555 11.713 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -8.268 -5.241 10.115 1.00 0.00 H new ATOM 1481 N VAL A 100 -2.851 -5.806 9.619 1.00 0.00 N ATOM 1482 CA VAL A 100 -1.557 -6.027 10.254 1.00 0.00 C ATOM 1483 C VAL A 100 -0.680 -4.783 10.163 1.00 0.00 C ATOM 1484 O VAL A 100 -0.875 -3.934 9.292 1.00 0.00 O ATOM 1485 CB VAL A 100 -0.813 -7.213 9.612 1.00 0.00 C ATOM 1486 CG1 VAL A 100 -1.724 -8.427 9.516 1.00 0.00 C ATOM 1487 CG2 VAL A 100 -0.279 -6.827 8.240 1.00 0.00 C ATOM 0 H VAL A 100 -2.797 -5.453 8.664 1.00 0.00 H new ATOM 0 HA VAL A 100 -1.753 -6.254 11.302 1.00 0.00 H new ATOM 0 HB VAL A 100 0.034 -7.474 10.246 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -1.181 -9.255 9.060 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -2.053 -8.715 10.515 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -2.593 -8.183 8.905 1.00 0.00 H new ATOM 0 HG21 VAL A 100 0.244 -7.677 7.801 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -1.109 -6.538 7.595 1.00 0.00 H new ATOM 0 HG23 VAL A 100 0.411 -5.989 8.341 1.00 0.00 H new ATOM 1497 N THR A 101 0.287 -4.680 11.070 1.00 0.00 N ATOM 1498 CA THR A 101 1.193 -3.539 11.094 1.00 0.00 C ATOM 1499 C THR A 101 2.195 -3.608 9.946 1.00 0.00 C ATOM 1500 O THR A 101 2.876 -4.616 9.765 1.00 0.00 O ATOM 1501 CB THR A 101 1.962 -3.460 12.426 1.00 0.00 C ATOM 1502 OG1 THR A 101 1.041 -3.430 13.522 1.00 0.00 O ATOM 1503 CG2 THR A 101 2.848 -2.224 12.468 1.00 0.00 C ATOM 0 H THR A 101 0.462 -5.373 11.797 1.00 0.00 H new ATOM 0 HA THR A 101 0.578 -2.646 10.984 1.00 0.00 H new ATOM 0 HB THR A 101 2.595 -4.344 12.507 1.00 0.00 H new ATOM 0 HG1 THR A 101 1.538 -3.382 14.365 1.00 0.00 H new ATOM 0 HG21 THR A 101 3.381 -2.190 13.418 1.00 0.00 H new ATOM 0 HG22 THR A 101 3.567 -2.264 11.650 1.00 0.00 H new ATOM 0 HG23 THR A 101 2.232 -1.331 12.366 1.00 0.00 H new ATOM 1511 N MET A 102 2.278 -2.530 9.174 1.00 0.00 N ATOM 1512 CA MET A 102 3.198 -2.468 8.045 1.00 0.00 C ATOM 1513 C MET A 102 4.109 -1.249 8.151 1.00 0.00 C ATOM 1514 O MET A 102 3.662 -0.157 8.504 1.00 0.00 O ATOM 1515 CB MET A 102 2.421 -2.426 6.728 1.00 0.00 C ATOM 1516 CG MET A 102 1.873 -3.778 6.302 1.00 0.00 C ATOM 1517 SD MET A 102 3.123 -4.821 5.526 1.00 0.00 S ATOM 1518 CE MET A 102 2.333 -5.188 3.961 1.00 0.00 C ATOM 0 H MET A 102 1.719 -1.687 9.310 1.00 0.00 H new ATOM 0 HA MET A 102 3.818 -3.365 8.064 1.00 0.00 H new ATOM 0 HB2 MET A 102 1.594 -1.723 6.826 1.00 0.00 H new ATOM 0 HB3 MET A 102 3.073 -2.044 5.943 1.00 0.00 H new ATOM 0 HG2 MET A 102 1.467 -4.292 7.173 1.00 0.00 H new ATOM 0 HG3 MET A 102 1.047 -3.628 5.606 1.00 0.00 H new ATOM 0 HE1 MET A 102 2.985 -5.827 3.365 1.00 0.00 H new ATOM 0 HE2 MET A 102 1.388 -5.701 4.142 1.00 0.00 H new ATOM 0 HE3 MET A 102 2.144 -4.260 3.422 1.00 0.00 H new ATOM 1528 N LEU A 103 5.386 -1.442 7.843 1.00 0.00 N ATOM 1529 CA LEU A 103 6.360 -0.357 7.905 1.00 0.00 C ATOM 1530 C LEU A 103 7.018 -0.139 6.546 1.00 0.00 C ATOM 1531 O LEU A 103 7.403 -1.094 5.871 1.00 0.00 O ATOM 1532 CB LEU A 103 7.427 -0.662 8.957 1.00 0.00 C ATOM 1533 CG LEU A 103 8.278 0.524 9.414 1.00 0.00 C ATOM 1534 CD1 LEU A 103 8.733 0.331 10.852 1.00 0.00 C ATOM 1535 CD2 LEU A 103 9.475 0.707 8.494 1.00 0.00 C ATOM 0 H LEU A 103 5.772 -2.339 7.548 1.00 0.00 H new ATOM 0 HA LEU A 103 5.833 0.555 8.185 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.935 -1.089 9.831 1.00 0.00 H new ATOM 0 HB3 LEU A 103 8.092 -1.429 8.559 1.00 0.00 H new ATOM 0 HG LEU A 103 7.667 1.425 9.366 1.00 0.00 H new ATOM 0 HD11 LEU A 103 9.337 1.184 11.160 1.00 0.00 H new ATOM 0 HD12 LEU A 103 7.861 0.250 11.502 1.00 0.00 H new ATOM 0 HD13 LEU A 103 9.327 -0.580 10.927 1.00 0.00 H new ATOM 0 HD21 LEU A 103 10.069 1.555 8.834 1.00 0.00 H new ATOM 0 HD22 LEU A 103 10.087 -0.195 8.510 1.00 0.00 H new ATOM 0 HD23 LEU A 103 9.128 0.892 7.477 1.00 0.00 H new ATOM 1547 N ILE A 104 7.145 1.124 6.152 1.00 0.00 N ATOM 1548 CA ILE A 104 7.759 1.468 4.876 1.00 0.00 C ATOM 1549 C ILE A 104 9.026 2.291 5.079 1.00 0.00 C ATOM 1550 O ILE A 104 8.976 3.408 5.596 1.00 0.00 O ATOM 1551 CB ILE A 104 6.787 2.255 3.977 1.00 0.00 C ATOM 1552 CG1 ILE A 104 5.551 1.410 3.662 1.00 0.00 C ATOM 1553 CG2 ILE A 104 7.483 2.685 2.694 1.00 0.00 C ATOM 1554 CD1 ILE A 104 4.426 2.198 3.027 1.00 0.00 C ATOM 0 H ILE A 104 6.831 1.926 6.699 1.00 0.00 H new ATOM 0 HA ILE A 104 8.014 0.528 4.386 1.00 0.00 H new ATOM 0 HB ILE A 104 6.465 3.150 4.510 1.00 0.00 H new ATOM 0 HG12 ILE A 104 5.837 0.598 2.994 1.00 0.00 H new ATOM 0 HG13 ILE A 104 5.189 0.953 4.583 1.00 0.00 H new ATOM 0 HG21 ILE A 104 6.783 3.240 2.069 1.00 0.00 H new ATOM 0 HG22 ILE A 104 8.335 3.320 2.937 1.00 0.00 H new ATOM 0 HG23 ILE A 104 7.830 1.803 2.155 1.00 0.00 H new ATOM 0 HD11 ILE A 104 3.583 1.535 2.831 1.00 0.00 H new ATOM 0 HD12 ILE A 104 4.113 2.994 3.703 1.00 0.00 H new ATOM 0 HD13 ILE A 104 4.771 2.633 2.089 1.00 0.00 H new ATOM 1566 N ARG A 105 10.160 1.734 4.668 1.00 0.00 N ATOM 1567 CA ARG A 105 11.441 2.417 4.805 1.00 0.00 C ATOM 1568 C ARG A 105 11.874 3.032 3.477 1.00 0.00 C ATOM 1569 O ARG A 105 12.164 2.319 2.516 1.00 0.00 O ATOM 1570 CB ARG A 105 12.512 1.444 5.302 1.00 0.00 C ATOM 1571 CG ARG A 105 13.913 2.032 5.310 1.00 0.00 C ATOM 1572 CD ARG A 105 14.790 1.368 6.360 1.00 0.00 C ATOM 1573 NE ARG A 105 16.212 1.572 6.094 1.00 0.00 N ATOM 1574 CZ ARG A 105 17.152 1.504 7.030 1.00 0.00 C ATOM 1575 NH1 ARG A 105 16.822 1.238 8.286 1.00 0.00 N ATOM 1576 NH2 ARG A 105 18.424 1.701 6.709 1.00 0.00 N ATOM 0 H ARG A 105 10.218 0.811 4.237 1.00 0.00 H new ATOM 0 HA ARG A 105 11.321 3.218 5.535 1.00 0.00 H new ATOM 0 HB2 ARG A 105 12.257 1.121 6.311 1.00 0.00 H new ATOM 0 HB3 ARG A 105 12.504 0.555 4.671 1.00 0.00 H new ATOM 0 HG2 ARG A 105 14.366 1.910 4.326 1.00 0.00 H new ATOM 0 HG3 ARG A 105 13.858 3.103 5.505 1.00 0.00 H new ATOM 0 HD2 ARG A 105 14.544 1.768 7.344 1.00 0.00 H new ATOM 0 HD3 ARG A 105 14.576 0.300 6.388 1.00 0.00 H new ATOM 0 HE ARG A 105 16.499 1.778 5.137 1.00 0.00 H new ATOM 0 HH11 ARG A 105 15.845 1.085 8.535 1.00 0.00 H new ATOM 0 HH12 ARG A 105 17.545 1.186 9.003 1.00 0.00 H new ATOM 0 HH21 ARG A 105 18.681 1.905 5.743 1.00 0.00 H new ATOM 0 HH22 ARG A 105 19.145 1.649 7.428 1.00 0.00 H new ATOM 1590 N VAL A 106 11.913 4.359 3.431 1.00 0.00 N ATOM 1591 CA VAL A 106 12.311 5.071 2.222 1.00 0.00 C ATOM 1592 C VAL A 106 13.807 5.363 2.222 1.00 0.00 C ATOM 1593 O VAL A 106 14.512 5.050 3.182 1.00 0.00 O ATOM 1594 CB VAL A 106 11.540 6.396 2.071 1.00 0.00 C ATOM 1595 CG1 VAL A 106 10.044 6.136 1.982 1.00 0.00 C ATOM 1596 CG2 VAL A 106 11.860 7.332 3.226 1.00 0.00 C ATOM 0 H VAL A 106 11.674 4.964 4.217 1.00 0.00 H new ATOM 0 HA VAL A 106 12.071 4.422 1.380 1.00 0.00 H new ATOM 0 HB VAL A 106 11.856 6.877 1.145 1.00 0.00 H new ATOM 0 HG11 VAL A 106 9.516 7.083 1.876 1.00 0.00 H new ATOM 0 HG12 VAL A 106 9.835 5.505 1.118 1.00 0.00 H new ATOM 0 HG13 VAL A 106 9.708 5.633 2.888 1.00 0.00 H new ATOM 0 HG21 VAL A 106 11.307 8.263 3.104 1.00 0.00 H new ATOM 0 HG22 VAL A 106 11.574 6.861 4.166 1.00 0.00 H new ATOM 0 HG23 VAL A 106 12.929 7.544 3.237 1.00 0.00 H new ATOM 1606 N LYS A 107 14.287 5.965 1.140 1.00 0.00 N ATOM 1607 CA LYS A 107 15.700 6.303 1.015 1.00 0.00 C ATOM 1608 C LYS A 107 16.007 7.626 1.708 1.00 0.00 C ATOM 1609 O LYS A 107 16.974 7.735 2.463 1.00 0.00 O ATOM 1610 CB LYS A 107 16.098 6.383 -0.461 1.00 0.00 C ATOM 1611 CG LYS A 107 17.574 6.126 -0.708 1.00 0.00 C ATOM 1612 CD LYS A 107 17.911 6.187 -2.188 1.00 0.00 C ATOM 1613 CE LYS A 107 19.400 5.997 -2.430 1.00 0.00 C ATOM 1614 NZ LYS A 107 19.725 5.945 -3.882 1.00 0.00 N ATOM 0 H LYS A 107 13.718 6.229 0.336 1.00 0.00 H new ATOM 0 HA LYS A 107 16.280 5.517 1.499 1.00 0.00 H new ATOM 0 HB2 LYS A 107 15.512 5.658 -1.026 1.00 0.00 H new ATOM 0 HB3 LYS A 107 15.841 7.370 -0.845 1.00 0.00 H new ATOM 0 HG2 LYS A 107 18.168 6.864 -0.168 1.00 0.00 H new ATOM 0 HG3 LYS A 107 17.845 5.147 -0.312 1.00 0.00 H new ATOM 0 HD2 LYS A 107 17.354 5.417 -2.721 1.00 0.00 H new ATOM 0 HD3 LYS A 107 17.595 7.148 -2.595 1.00 0.00 H new ATOM 0 HE2 LYS A 107 19.951 6.814 -1.964 1.00 0.00 H new ATOM 0 HE3 LYS A 107 19.731 5.076 -1.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 20.751 6.053 -4.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 19.421 5.031 -4.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 19.230 6.715 -4.376 1.00 0.00 H new ATOM 1628 N THR A 108 15.177 8.632 1.448 1.00 0.00 N ATOM 1629 CA THR A 108 15.359 9.948 2.047 1.00 0.00 C ATOM 1630 C THR A 108 14.255 10.252 3.053 1.00 0.00 C ATOM 1631 O THR A 108 13.070 10.203 2.722 1.00 0.00 O ATOM 1632 CB THR A 108 15.382 11.054 0.976 1.00 0.00 C ATOM 1633 OG1 THR A 108 14.231 10.942 0.131 1.00 0.00 O ATOM 1634 CG2 THR A 108 16.646 10.967 0.134 1.00 0.00 C ATOM 0 H THR A 108 14.372 8.560 0.826 1.00 0.00 H new ATOM 0 HA THR A 108 16.320 9.931 2.561 1.00 0.00 H new ATOM 0 HB THR A 108 15.368 12.019 1.482 1.00 0.00 H new ATOM 0 HG1 THR A 108 14.252 11.650 -0.546 1.00 0.00 H new ATOM 0 HG21 THR A 108 16.639 11.758 -0.615 1.00 0.00 H new ATOM 0 HG22 THR A 108 17.519 11.083 0.776 1.00 0.00 H new ATOM 0 HG23 THR A 108 16.686 9.998 -0.363 1.00 0.00 H new ATOM 1642 N SER A 109 14.650 10.567 4.282 1.00 0.00 N ATOM 1643 CA SER A 109 13.693 10.877 5.337 1.00 0.00 C ATOM 1644 C SER A 109 12.618 11.835 4.832 1.00 0.00 C ATOM 1645 O SER A 109 11.531 11.921 5.403 1.00 0.00 O ATOM 1646 CB SER A 109 14.410 11.487 6.543 1.00 0.00 C ATOM 1647 OG SER A 109 15.732 10.989 6.656 1.00 0.00 O ATOM 0 H SER A 109 15.627 10.614 4.572 1.00 0.00 H new ATOM 0 HA SER A 109 13.212 9.947 5.641 1.00 0.00 H new ATOM 0 HB2 SER A 109 14.434 12.572 6.445 1.00 0.00 H new ATOM 0 HB3 SER A 109 13.854 11.261 7.453 1.00 0.00 H new ATOM 0 HG SER A 109 16.266 11.600 7.206 1.00 0.00 H new ATOM 1653 N GLU A 110 12.932 12.552 3.758 1.00 0.00 N ATOM 1654 CA GLU A 110 11.993 13.505 3.175 1.00 0.00 C ATOM 1655 C GLU A 110 10.809 12.782 2.540 1.00 0.00 C ATOM 1656 O GLU A 110 9.657 13.181 2.716 1.00 0.00 O ATOM 1657 CB GLU A 110 12.696 14.372 2.130 1.00 0.00 C ATOM 1658 CG GLU A 110 11.784 14.825 1.002 1.00 0.00 C ATOM 1659 CD GLU A 110 12.284 16.082 0.317 1.00 0.00 C ATOM 1660 OE1 GLU A 110 12.958 16.894 0.985 1.00 0.00 O ATOM 1661 OE2 GLU A 110 12.001 16.255 -0.887 1.00 0.00 O ATOM 0 H GLU A 110 13.828 12.492 3.274 1.00 0.00 H new ATOM 0 HA GLU A 110 11.619 14.144 3.975 1.00 0.00 H new ATOM 0 HB2 GLU A 110 13.116 15.250 2.621 1.00 0.00 H new ATOM 0 HB3 GLU A 110 13.531 13.813 1.708 1.00 0.00 H new ATOM 0 HG2 GLU A 110 11.697 14.025 0.267 1.00 0.00 H new ATOM 0 HG3 GLU A 110 10.784 15.004 1.398 1.00 0.00 H new ATOM 1668 N ASP A 111 11.100 11.718 1.800 1.00 0.00 N ATOM 1669 CA ASP A 111 10.060 10.939 1.138 1.00 0.00 C ATOM 1670 C ASP A 111 9.067 10.384 2.154 1.00 0.00 C ATOM 1671 O ASP A 111 7.861 10.365 1.911 1.00 0.00 O ATOM 1672 CB ASP A 111 10.683 9.794 0.337 1.00 0.00 C ATOM 1673 CG ASP A 111 9.785 9.320 -0.789 1.00 0.00 C ATOM 1674 OD1 ASP A 111 8.844 8.548 -0.511 1.00 0.00 O ATOM 1675 OD2 ASP A 111 10.023 9.721 -1.947 1.00 0.00 O ATOM 0 H ASP A 111 12.048 11.375 1.643 1.00 0.00 H new ATOM 0 HA ASP A 111 9.524 11.599 0.456 1.00 0.00 H new ATOM 0 HB2 ASP A 111 11.637 10.121 -0.076 1.00 0.00 H new ATOM 0 HB3 ASP A 111 10.894 8.959 1.006 1.00 0.00 H new ATOM 1680 N ALA A 112 9.583 9.933 3.293 1.00 0.00 N ATOM 1681 CA ALA A 112 8.742 9.379 4.346 1.00 0.00 C ATOM 1682 C ALA A 112 7.650 10.363 4.752 1.00 0.00 C ATOM 1683 O ALA A 112 6.461 10.084 4.599 1.00 0.00 O ATOM 1684 CB ALA A 112 9.588 8.999 5.552 1.00 0.00 C ATOM 0 H ALA A 112 10.580 9.941 3.510 1.00 0.00 H new ATOM 0 HA ALA A 112 8.260 8.482 3.957 1.00 0.00 H new ATOM 0 HB1 ALA A 112 8.947 8.587 6.331 1.00 0.00 H new ATOM 0 HB2 ALA A 112 10.327 8.254 5.258 1.00 0.00 H new ATOM 0 HB3 ALA A 112 10.097 9.884 5.933 1.00 0.00 H new ATOM 1690 N ASP A 113 8.062 11.515 5.271 1.00 0.00 N ATOM 1691 CA ASP A 113 7.119 12.541 5.700 1.00 0.00 C ATOM 1692 C ASP A 113 6.035 12.756 4.648 1.00 0.00 C ATOM 1693 O ASP A 113 4.844 12.646 4.940 1.00 0.00 O ATOM 1694 CB ASP A 113 7.852 13.856 5.970 1.00 0.00 C ATOM 1695 CG ASP A 113 7.073 14.774 6.892 1.00 0.00 C ATOM 1696 OD1 ASP A 113 5.836 14.622 6.974 1.00 0.00 O ATOM 1697 OD2 ASP A 113 7.701 15.642 7.533 1.00 0.00 O ATOM 0 H ASP A 113 9.043 11.761 5.405 1.00 0.00 H new ATOM 0 HA ASP A 113 6.645 12.202 6.621 1.00 0.00 H new ATOM 0 HB2 ASP A 113 8.825 13.642 6.412 1.00 0.00 H new ATOM 0 HB3 ASP A 113 8.037 14.366 5.025 1.00 0.00 H new ATOM 1702 N GLU A 114 6.456 13.062 3.425 1.00 0.00 N ATOM 1703 CA GLU A 114 5.520 13.294 2.331 1.00 0.00 C ATOM 1704 C GLU A 114 4.546 12.128 2.192 1.00 0.00 C ATOM 1705 O GLU A 114 3.333 12.324 2.100 1.00 0.00 O ATOM 1706 CB GLU A 114 6.277 13.500 1.017 1.00 0.00 C ATOM 1707 CG GLU A 114 5.379 13.862 -0.153 1.00 0.00 C ATOM 1708 CD GLU A 114 4.869 15.288 -0.077 1.00 0.00 C ATOM 1709 OE1 GLU A 114 4.405 15.695 1.009 1.00 0.00 O ATOM 1710 OE2 GLU A 114 4.934 15.997 -1.103 1.00 0.00 O ATOM 0 H GLU A 114 7.438 13.155 3.167 1.00 0.00 H new ATOM 0 HA GLU A 114 4.951 14.195 2.559 1.00 0.00 H new ATOM 0 HB2 GLU A 114 7.017 14.289 1.154 1.00 0.00 H new ATOM 0 HB3 GLU A 114 6.824 12.588 0.776 1.00 0.00 H new ATOM 0 HG2 GLU A 114 5.929 13.726 -1.084 1.00 0.00 H new ATOM 0 HG3 GLU A 114 4.531 13.178 -0.181 1.00 0.00 H new ATOM 1717 N LEU A 115 5.084 10.914 2.178 1.00 0.00 N ATOM 1718 CA LEU A 115 4.264 9.714 2.050 1.00 0.00 C ATOM 1719 C LEU A 115 3.176 9.682 3.118 1.00 0.00 C ATOM 1720 O LEU A 115 2.015 9.392 2.828 1.00 0.00 O ATOM 1721 CB LEU A 115 5.136 8.462 2.156 1.00 0.00 C ATOM 1722 CG LEU A 115 4.398 7.152 2.434 1.00 0.00 C ATOM 1723 CD1 LEU A 115 3.568 6.741 1.228 1.00 0.00 C ATOM 1724 CD2 LEU A 115 5.384 6.053 2.805 1.00 0.00 C ATOM 0 H LEU A 115 6.085 10.734 2.254 1.00 0.00 H new ATOM 0 HA LEU A 115 3.786 9.734 1.071 1.00 0.00 H new ATOM 0 HB2 LEU A 115 5.693 8.352 1.226 1.00 0.00 H new ATOM 0 HB3 LEU A 115 5.867 8.619 2.949 1.00 0.00 H new ATOM 0 HG LEU A 115 3.724 7.308 3.277 1.00 0.00 H new ATOM 0 HD11 LEU A 115 3.050 5.807 1.444 1.00 0.00 H new ATOM 0 HD12 LEU A 115 2.837 7.519 1.007 1.00 0.00 H new ATOM 0 HD13 LEU A 115 4.221 6.603 0.367 1.00 0.00 H new ATOM 0 HD21 LEU A 115 4.841 5.128 3.000 1.00 0.00 H new ATOM 0 HD22 LEU A 115 6.082 5.898 1.983 1.00 0.00 H new ATOM 0 HD23 LEU A 115 5.935 6.345 3.699 1.00 0.00 H new ATOM 1736 N HIS A 116 3.559 9.984 4.355 1.00 0.00 N ATOM 1737 CA HIS A 116 2.615 9.993 5.467 1.00 0.00 C ATOM 1738 C HIS A 116 1.592 11.112 5.302 1.00 0.00 C ATOM 1739 O HIS A 116 0.392 10.902 5.481 1.00 0.00 O ATOM 1740 CB HIS A 116 3.358 10.157 6.793 1.00 0.00 C ATOM 1741 CG HIS A 116 2.452 10.386 7.963 1.00 0.00 C ATOM 1742 ND1 HIS A 116 2.342 11.602 8.603 1.00 0.00 N ATOM 1743 CD2 HIS A 116 1.610 9.545 8.608 1.00 0.00 C ATOM 1744 CE1 HIS A 116 1.472 11.500 9.592 1.00 0.00 C ATOM 1745 NE2 HIS A 116 1.012 10.262 9.616 1.00 0.00 N ATOM 0 H HIS A 116 4.516 10.226 4.612 1.00 0.00 H new ATOM 0 HA HIS A 116 2.087 9.039 5.471 1.00 0.00 H new ATOM 0 HB2 HIS A 116 3.957 9.265 6.977 1.00 0.00 H new ATOM 0 HB3 HIS A 116 4.050 10.995 6.711 1.00 0.00 H new ATOM 0 HD1 HIS A 116 2.853 12.449 8.352 1.00 0.00 H new ATOM 0 HD2 HIS A 116 1.440 8.504 8.374 1.00 0.00 H new ATOM 0 HE1 HIS A 116 1.186 12.294 10.266 1.00 0.00 H new ATOM 1753 N LYS A 117 2.073 12.302 4.961 1.00 0.00 N ATOM 1754 CA LYS A 117 1.201 13.456 4.771 1.00 0.00 C ATOM 1755 C LYS A 117 0.129 13.161 3.727 1.00 0.00 C ATOM 1756 O LYS A 117 -1.066 13.241 4.012 1.00 0.00 O ATOM 1757 CB LYS A 117 2.021 14.676 4.346 1.00 0.00 C ATOM 1758 CG LYS A 117 2.929 15.210 5.440 1.00 0.00 C ATOM 1759 CD LYS A 117 3.425 16.610 5.120 1.00 0.00 C ATOM 1760 CE LYS A 117 2.329 17.647 5.312 1.00 0.00 C ATOM 1761 NZ LYS A 117 1.973 17.818 6.748 1.00 0.00 N ATOM 0 H LYS A 117 3.063 12.493 4.810 1.00 0.00 H new ATOM 0 HA LYS A 117 0.710 13.670 5.720 1.00 0.00 H new ATOM 0 HB2 LYS A 117 2.627 14.412 3.479 1.00 0.00 H new ATOM 0 HB3 LYS A 117 1.342 15.468 4.031 1.00 0.00 H new ATOM 0 HG2 LYS A 117 2.390 15.222 6.388 1.00 0.00 H new ATOM 0 HG3 LYS A 117 3.781 14.541 5.566 1.00 0.00 H new ATOM 0 HD2 LYS A 117 4.273 16.852 5.761 1.00 0.00 H new ATOM 0 HD3 LYS A 117 3.783 16.644 4.091 1.00 0.00 H new ATOM 0 HE2 LYS A 117 2.657 18.602 4.903 1.00 0.00 H new ATOM 0 HE3 LYS A 117 1.443 17.348 4.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 1.451 18.709 6.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 1.379 17.022 7.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 2.841 17.843 7.320 1.00 0.00 H new ATOM 1775 N ILE A 118 0.565 12.820 2.519 1.00 0.00 N ATOM 1776 CA ILE A 118 -0.358 12.511 1.434 1.00 0.00 C ATOM 1777 C ILE A 118 -1.480 11.595 1.910 1.00 0.00 C ATOM 1778 O ILE A 118 -2.661 11.913 1.763 1.00 0.00 O ATOM 1779 CB ILE A 118 0.367 11.843 0.250 1.00 0.00 C ATOM 1780 CG1 ILE A 118 1.456 12.768 -0.296 1.00 0.00 C ATOM 1781 CG2 ILE A 118 -0.627 11.482 -0.844 1.00 0.00 C ATOM 1782 CD1 ILE A 118 2.576 12.033 -0.998 1.00 0.00 C ATOM 0 H ILE A 118 1.551 12.751 2.267 1.00 0.00 H new ATOM 0 HA ILE A 118 -0.782 13.459 1.102 1.00 0.00 H new ATOM 0 HB ILE A 118 0.839 10.926 0.602 1.00 0.00 H new ATOM 0 HG12 ILE A 118 1.005 13.476 -0.991 1.00 0.00 H new ATOM 0 HG13 ILE A 118 1.873 13.350 0.526 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -0.100 11.011 -1.674 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -1.370 10.790 -0.447 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -1.124 12.386 -1.196 1.00 0.00 H new ATOM 0 HD11 ILE A 118 3.312 12.751 -1.359 1.00 0.00 H new ATOM 0 HD12 ILE A 118 3.053 11.345 -0.300 1.00 0.00 H new ATOM 0 HD13 ILE A 118 2.171 11.473 -1.841 1.00 0.00 H new ATOM 1794 N LEU A 119 -1.104 10.458 2.484 1.00 0.00 N ATOM 1795 CA LEU A 119 -2.079 9.495 2.985 1.00 0.00 C ATOM 1796 C LEU A 119 -3.196 10.198 3.749 1.00 0.00 C ATOM 1797 O LEU A 119 -4.375 10.045 3.427 1.00 0.00 O ATOM 1798 CB LEU A 119 -1.394 8.470 3.891 1.00 0.00 C ATOM 1799 CG LEU A 119 -0.436 7.498 3.200 1.00 0.00 C ATOM 1800 CD1 LEU A 119 0.520 6.883 4.210 1.00 0.00 C ATOM 1801 CD2 LEU A 119 -1.213 6.413 2.469 1.00 0.00 C ATOM 0 H LEU A 119 -0.131 10.180 2.614 1.00 0.00 H new ATOM 0 HA LEU A 119 -2.517 8.980 2.130 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -0.841 9.008 4.661 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -2.165 7.890 4.398 1.00 0.00 H new ATOM 0 HG LEU A 119 0.150 8.054 2.468 1.00 0.00 H new ATOM 0 HD11 LEU A 119 1.194 6.194 3.701 1.00 0.00 H new ATOM 0 HD12 LEU A 119 1.101 7.672 4.688 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -0.048 6.342 4.966 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -0.516 5.731 1.983 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -1.824 5.860 3.182 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -1.856 6.870 1.717 1.00 0.00 H new ATOM 1813 N LEU A 120 -2.818 10.972 4.761 1.00 0.00 N ATOM 1814 CA LEU A 120 -3.788 11.702 5.570 1.00 0.00 C ATOM 1815 C LEU A 120 -4.798 12.428 4.686 1.00 0.00 C ATOM 1816 O LEU A 120 -6.003 12.371 4.929 1.00 0.00 O ATOM 1817 CB LEU A 120 -3.073 12.704 6.477 1.00 0.00 C ATOM 1818 CG LEU A 120 -2.237 12.107 7.610 1.00 0.00 C ATOM 1819 CD1 LEU A 120 -1.146 13.077 8.036 1.00 0.00 C ATOM 1820 CD2 LEU A 120 -3.124 11.745 8.793 1.00 0.00 C ATOM 0 H LEU A 120 -1.847 11.110 5.041 1.00 0.00 H new ATOM 0 HA LEU A 120 -4.325 10.982 6.187 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -2.422 13.323 5.859 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -3.821 13.366 6.914 1.00 0.00 H new ATOM 0 HG LEU A 120 -1.762 11.196 7.245 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -0.561 12.635 8.843 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -0.494 13.286 7.188 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -1.600 14.005 8.383 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -2.513 11.322 9.590 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -3.627 12.640 9.158 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -3.868 11.013 8.479 1.00 0.00 H new ATOM 1832 N GLU A 121 -4.297 13.107 3.659 1.00 0.00 N ATOM 1833 CA GLU A 121 -5.156 13.843 2.739 1.00 0.00 C ATOM 1834 C GLU A 121 -6.031 12.889 1.931 1.00 0.00 C ATOM 1835 O GLU A 121 -7.228 13.120 1.760 1.00 0.00 O ATOM 1836 CB GLU A 121 -4.312 14.702 1.795 1.00 0.00 C ATOM 1837 CG GLU A 121 -3.917 16.046 2.385 1.00 0.00 C ATOM 1838 CD GLU A 121 -5.064 17.037 2.398 1.00 0.00 C ATOM 1839 OE1 GLU A 121 -6.231 16.594 2.427 1.00 0.00 O ATOM 1840 OE2 GLU A 121 -4.794 18.256 2.381 1.00 0.00 O ATOM 0 H GLU A 121 -3.302 13.163 3.443 1.00 0.00 H new ATOM 0 HA GLU A 121 -5.804 14.492 3.328 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -3.409 14.153 1.527 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -4.869 14.869 0.873 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -3.557 15.900 3.403 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -3.089 16.462 1.810 1.00 0.00 H new ATOM 1847 N LYS A 122 -5.424 11.816 1.435 1.00 0.00 N ATOM 1848 CA LYS A 122 -6.145 10.825 0.646 1.00 0.00 C ATOM 1849 C LYS A 122 -7.322 10.255 1.431 1.00 0.00 C ATOM 1850 O LYS A 122 -8.432 10.139 0.911 1.00 0.00 O ATOM 1851 CB LYS A 122 -5.204 9.695 0.224 1.00 0.00 C ATOM 1852 CG LYS A 122 -3.986 10.173 -0.547 1.00 0.00 C ATOM 1853 CD LYS A 122 -4.301 10.367 -2.021 1.00 0.00 C ATOM 1854 CE LYS A 122 -3.336 11.345 -2.673 1.00 0.00 C ATOM 1855 NZ LYS A 122 -3.879 11.896 -3.946 1.00 0.00 N ATOM 0 H LYS A 122 -4.433 11.611 1.566 1.00 0.00 H new ATOM 0 HA LYS A 122 -6.531 11.319 -0.245 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -4.873 9.158 1.113 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -5.756 8.984 -0.390 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -3.631 11.112 -0.123 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -3.178 9.449 -0.439 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -4.250 9.407 -2.534 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -5.322 10.733 -2.131 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -3.127 12.163 -1.983 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -2.388 10.844 -2.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -3.576 12.885 -4.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -3.523 11.336 -4.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -4.918 11.853 -3.928 1.00 0.00 H new ATOM 1869 N LYS A 123 -7.072 9.901 2.687 1.00 0.00 N ATOM 1870 CA LYS A 123 -8.111 9.345 3.547 1.00 0.00 C ATOM 1871 C LYS A 123 -9.119 10.418 3.945 1.00 0.00 C ATOM 1872 O LYS A 123 -10.264 10.114 4.280 1.00 0.00 O ATOM 1873 CB LYS A 123 -7.488 8.725 4.800 1.00 0.00 C ATOM 1874 CG LYS A 123 -6.785 9.734 5.692 1.00 0.00 C ATOM 1875 CD LYS A 123 -6.766 9.278 7.141 1.00 0.00 C ATOM 1876 CE LYS A 123 -6.500 10.439 8.087 1.00 0.00 C ATOM 1877 NZ LYS A 123 -7.755 11.148 8.462 1.00 0.00 N ATOM 0 H LYS A 123 -6.159 9.989 3.133 1.00 0.00 H new ATOM 0 HA LYS A 123 -8.634 8.569 2.988 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -8.268 8.226 5.375 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -6.774 7.958 4.499 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -5.763 9.881 5.342 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -7.288 10.698 5.619 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -7.721 8.815 7.391 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -5.998 8.516 7.274 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -6.009 10.069 8.987 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -5.813 11.142 7.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -7.531 11.932 9.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -8.211 11.523 7.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -8.401 10.484 8.935 1.00 0.00 H new ATOM 1891 N ASP A 124 -8.687 11.673 3.907 1.00 0.00 N ATOM 1892 CA ASP A 124 -9.552 12.792 4.261 1.00 0.00 C ATOM 1893 C ASP A 124 -10.772 12.846 3.347 1.00 0.00 C ATOM 1894 O ASP A 124 -11.909 12.896 3.815 1.00 0.00 O ATOM 1895 CB ASP A 124 -8.779 14.109 4.180 1.00 0.00 C ATOM 1896 CG ASP A 124 -9.448 15.222 4.962 1.00 0.00 C ATOM 1897 OD1 ASP A 124 -9.536 15.106 6.202 1.00 0.00 O ATOM 1898 OD2 ASP A 124 -9.881 16.210 4.334 1.00 0.00 O ATOM 0 H ASP A 124 -7.742 11.941 3.634 1.00 0.00 H new ATOM 0 HA ASP A 124 -9.894 12.644 5.285 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -7.769 13.958 4.561 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -8.685 14.408 3.136 1.00 0.00 H new ATOM 1903 N ALA A 125 -10.527 12.837 2.041 1.00 0.00 N ATOM 1904 CA ALA A 125 -11.605 12.884 1.061 1.00 0.00 C ATOM 1905 C ALA A 125 -12.315 11.538 0.960 1.00 0.00 C ATOM 1906 O ALA A 125 -11.755 10.502 1.320 1.00 0.00 O ATOM 1907 CB ALA A 125 -11.064 13.301 -0.299 1.00 0.00 C ATOM 0 H ALA A 125 -9.591 12.798 1.637 1.00 0.00 H new ATOM 0 HA ALA A 125 -12.333 13.625 1.393 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -11.880 13.332 -1.021 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -10.609 14.289 -0.222 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -10.315 12.581 -0.629 1.00 0.00 H new TER 1913 ALA A 125