USER MOD reduce.3.24.130724 H: found=0, std=0, add=1038, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1036 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 65 THR OG1 : rot 100:sc= -2.34! USER MOD Set 1.2: A 118 SER OG : rot 180:sc= -5.13! USER MOD Set 1.3: A 122 LYS NZ :NH3+ 153:sc= -2.3! (180deg=-3.36!) USER MOD Set 2.1: A 64 HIS : no HD1:sc= -3.6 K(o=-3.8,f=-2.5!) USER MOD Set 2.2: A 68 ASN : amide:sc= -0.184 K(o=-3.8,f=-2.5) USER MOD Single : A 1 MET CE :methyl -105:sc= -0.907 (180deg=-4.14!) USER MOD Single : A 1 MET N :NH3+ -157:sc= 0.656 (180deg=-1.01!) USER MOD Single : A 2 MET CE :methyl -148:sc= -0.651! (180deg=-3.29!) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= -2.29! USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.0363 X(o=-0.036,f=0) USER MOD Single : A 19 ASN : amide:sc= -0.0196 X(o=-0.02,f=-0.31) USER MOD Single : A 21 ASN : amide:sc= -0.411 K(o=-0.41,f=-3!) USER MOD Single : A 23 THR OG1 : rot 117:sc= 0.69 USER MOD Single : A 29 LYS NZ :NH3+ -157:sc= -0.0325 (180deg=-0.555) USER MOD Single : A 30 ASN : amide:sc= -0.413 K(o=-0.41,f=-2.3!) USER MOD Single : A 34 MET CE :methyl -177:sc= -1.37 (180deg=-1.4) USER MOD Single : A 38 ASN : amide:sc= -0.289 K(o=-0.29,f=-3!) USER MOD Single : A 45 HIS : no HD1:sc= -0.952 K(o=-0.95,f=-0.22) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl -176:sc= -3.72! (180deg=-3.78!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl 143:sc= -11.1! (180deg=-14.4!) USER MOD Single : A 57 SER OG : rot 180:sc= 0.102 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl 143:sc= -7.47! (180deg=-10.7!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot 170:sc= -1.76 USER MOD Single : A 72 LYS NZ :NH3+ -160:sc= -0.936 (180deg=-1.31) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -136:sc= -0.683 (180deg=-1.79!) USER MOD Single : A 81 THR OG1 : rot 160:sc= -0.907 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 MET CE :methyl -167:sc= -1.3 (180deg=-1.88!) USER MOD Single : A 96 THR OG1 : rot 82:sc= 0.285 USER MOD Single : A 98 MET CE :methyl -172:sc= -9.86! (180deg=-10.4!) USER MOD Single : A 101 LYS NZ :NH3+ 149:sc= -4.22! (180deg=-5.76!) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -6.66! C(o=-6.7!,f=-8.3!) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot -104:sc= 0.0263! USER MOD Single : A 127 SER OG : rot -72:sc= 0.291 USER MOD Single : A 129 LYS NZ :NH3+ -139:sc= -0.498 (180deg=-0.929) USER MOD Single : A 131 LYS NZ :NH3+ 154:sc= -0.172 (180deg=-0.353) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.173 -31.667 -2.648 1.00 4.45 N ATOM 2 CA MET A 1 6.350 -30.424 -3.453 1.00 3.93 C ATOM 3 C MET A 1 7.117 -29.373 -2.646 1.00 3.14 C ATOM 4 O MET A 1 7.700 -29.668 -1.621 1.00 3.41 O ATOM 5 CB MET A 1 4.929 -29.942 -3.763 1.00 4.68 C ATOM 6 CG MET A 1 4.311 -29.294 -2.519 1.00 5.29 C ATOM 7 SD MET A 1 3.931 -30.571 -1.293 1.00 6.42 S ATOM 8 CE MET A 1 5.143 -30.060 -0.050 1.00 7.15 C ATOM 0 H1 MET A 1 6.020 -32.475 -3.285 1.00 4.45 H new ATOM 0 H2 MET A 1 7.025 -31.834 -2.075 1.00 4.45 H new ATOM 0 H3 MET A 1 5.350 -31.560 -2.021 1.00 4.45 H new ATOM 0 HA MET A 1 6.924 -30.600 -4.363 1.00 3.93 H new ATOM 0 HB2 MET A 1 4.951 -29.225 -4.584 1.00 4.68 H new ATOM 0 HB3 MET A 1 4.315 -30.781 -4.089 1.00 4.68 H new ATOM 0 HG2 MET A 1 5.001 -28.564 -2.096 1.00 5.29 H new ATOM 0 HG3 MET A 1 3.403 -28.755 -2.790 1.00 5.29 H new ATOM 0 HE1 MET A 1 5.984 -30.754 -0.055 1.00 7.15 H new ATOM 0 HE2 MET A 1 5.499 -29.056 -0.281 1.00 7.15 H new ATOM 0 HE3 MET A 1 4.677 -30.062 0.935 1.00 7.15 H new ATOM 20 N MET A 2 7.122 -28.149 -3.098 1.00 2.78 N ATOM 21 CA MET A 2 7.851 -27.082 -2.355 1.00 2.55 C ATOM 22 C MET A 2 6.857 -26.106 -1.720 1.00 2.10 C ATOM 23 O MET A 2 6.077 -25.469 -2.399 1.00 2.39 O ATOM 24 CB MET A 2 8.699 -26.372 -3.411 1.00 3.32 C ATOM 25 CG MET A 2 10.065 -26.022 -2.818 1.00 3.84 C ATOM 26 SD MET A 2 11.264 -25.801 -4.156 1.00 4.94 S ATOM 27 CE MET A 2 11.044 -27.421 -4.930 1.00 5.49 C ATOM 0 H MET A 2 6.653 -27.841 -3.950 1.00 2.78 H new ATOM 0 HA MET A 2 8.461 -27.485 -1.546 1.00 2.55 H new ATOM 0 HB2 MET A 2 8.823 -27.013 -4.284 1.00 3.32 H new ATOM 0 HB3 MET A 2 8.195 -25.467 -3.749 1.00 3.32 H new ATOM 0 HG2 MET A 2 9.993 -25.110 -2.225 1.00 3.84 H new ATOM 0 HG3 MET A 2 10.396 -26.814 -2.146 1.00 3.84 H new ATOM 0 HE1 MET A 2 11.987 -27.745 -5.370 1.00 5.49 H new ATOM 0 HE2 MET A 2 10.727 -28.144 -4.178 1.00 5.49 H new ATOM 0 HE3 MET A 2 10.285 -27.352 -5.709 1.00 5.49 H new ATOM 37 N GLU A 3 6.882 -25.982 -0.421 1.00 1.74 N ATOM 38 CA GLU A 3 5.939 -25.045 0.256 1.00 1.59 C ATOM 39 C GLU A 3 6.695 -23.868 0.849 1.00 1.39 C ATOM 40 O GLU A 3 6.114 -22.904 1.307 1.00 1.32 O ATOM 41 CB GLU A 3 5.310 -25.851 1.385 1.00 1.78 C ATOM 42 CG GLU A 3 6.419 -26.453 2.250 1.00 1.98 C ATOM 43 CD GLU A 3 5.818 -26.999 3.546 1.00 2.23 C ATOM 44 OE1 GLU A 3 4.641 -27.320 3.541 1.00 2.94 O ATOM 45 OE2 GLU A 3 6.544 -27.088 4.521 1.00 2.35 O ATOM 0 H GLU A 3 7.513 -26.488 0.200 1.00 1.74 H new ATOM 0 HA GLU A 3 5.201 -24.651 -0.442 1.00 1.59 H new ATOM 0 HB2 GLU A 3 4.667 -25.212 1.990 1.00 1.78 H new ATOM 0 HB3 GLU A 3 4.681 -26.642 0.977 1.00 1.78 H new ATOM 0 HG2 GLU A 3 6.925 -27.251 1.707 1.00 1.98 H new ATOM 0 HG3 GLU A 3 7.170 -25.696 2.476 1.00 1.98 H new ATOM 52 N GLU A 4 7.984 -23.949 0.866 1.00 1.39 N ATOM 53 CA GLU A 4 8.774 -22.845 1.457 1.00 1.27 C ATOM 54 C GLU A 4 8.722 -21.610 0.557 1.00 1.09 C ATOM 55 O GLU A 4 9.227 -20.559 0.895 1.00 0.99 O ATOM 56 CB GLU A 4 10.201 -23.379 1.564 1.00 1.47 C ATOM 57 CG GLU A 4 11.059 -22.387 2.351 1.00 1.96 C ATOM 58 CD GLU A 4 12.217 -23.130 3.020 1.00 2.22 C ATOM 59 OE1 GLU A 4 13.122 -23.538 2.310 1.00 2.48 O ATOM 60 OE2 GLU A 4 12.180 -23.280 4.230 1.00 2.75 O ATOM 0 H GLU A 4 8.528 -24.729 0.498 1.00 1.39 H new ATOM 0 HA GLU A 4 8.386 -22.540 2.429 1.00 1.27 H new ATOM 0 HB2 GLU A 4 10.201 -24.350 2.060 1.00 1.47 H new ATOM 0 HB3 GLU A 4 10.620 -23.529 0.569 1.00 1.47 H new ATOM 0 HG2 GLU A 4 11.445 -21.616 1.685 1.00 1.96 H new ATOM 0 HG3 GLU A 4 10.453 -21.884 3.104 1.00 1.96 H new ATOM 67 N TYR A 5 8.108 -21.732 -0.582 1.00 1.14 N ATOM 68 CA TYR A 5 8.013 -20.567 -1.506 1.00 1.06 C ATOM 69 C TYR A 5 6.969 -19.587 -0.988 1.00 0.93 C ATOM 70 O TYR A 5 7.093 -18.387 -1.123 1.00 0.90 O ATOM 71 CB TYR A 5 7.587 -21.154 -2.852 1.00 1.21 C ATOM 72 CG TYR A 5 8.764 -21.152 -3.798 1.00 1.38 C ATOM 73 CD1 TYR A 5 9.812 -22.062 -3.614 1.00 1.79 C ATOM 74 CD2 TYR A 5 8.807 -20.240 -4.859 1.00 1.76 C ATOM 75 CE1 TYR A 5 10.902 -22.060 -4.492 1.00 2.18 C ATOM 76 CE2 TYR A 5 9.898 -20.238 -5.737 1.00 2.20 C ATOM 77 CZ TYR A 5 10.945 -21.148 -5.553 1.00 2.29 C ATOM 78 OH TYR A 5 12.020 -21.146 -6.419 1.00 2.83 O ATOM 0 H TYR A 5 7.666 -22.588 -0.916 1.00 1.14 H new ATOM 0 HA TYR A 5 8.953 -20.022 -1.590 1.00 1.06 H new ATOM 0 HB2 TYR A 5 7.217 -22.170 -2.717 1.00 1.21 H new ATOM 0 HB3 TYR A 5 6.768 -20.570 -3.272 1.00 1.21 H new ATOM 0 HD1 TYR A 5 9.779 -22.765 -2.795 1.00 1.79 H new ATOM 0 HD2 TYR A 5 7.999 -19.538 -5.001 1.00 1.76 H new ATOM 0 HE1 TYR A 5 11.710 -22.762 -4.351 1.00 2.18 H new ATOM 0 HE2 TYR A 5 9.931 -19.534 -6.556 1.00 2.20 H new ATOM 0 HH TYR A 5 11.891 -20.452 -7.099 1.00 2.83 H new ATOM 88 N LEU A 6 5.951 -20.105 -0.386 1.00 0.91 N ATOM 89 CA LEU A 6 4.878 -19.234 0.170 1.00 0.86 C ATOM 90 C LEU A 6 5.233 -18.832 1.601 1.00 0.81 C ATOM 91 O LEU A 6 4.806 -17.807 2.095 1.00 0.79 O ATOM 92 CB LEU A 6 3.612 -20.093 0.146 1.00 0.97 C ATOM 93 CG LEU A 6 3.718 -21.191 1.204 1.00 1.06 C ATOM 94 CD1 LEU A 6 2.893 -20.800 2.432 1.00 1.53 C ATOM 95 CD2 LEU A 6 3.187 -22.505 0.630 1.00 1.42 C ATOM 0 H LEU A 6 5.807 -21.106 -0.250 1.00 0.91 H new ATOM 0 HA LEU A 6 4.748 -18.314 -0.400 1.00 0.86 H new ATOM 0 HB2 LEU A 6 2.736 -19.473 0.337 1.00 0.97 H new ATOM 0 HB3 LEU A 6 3.480 -20.536 -0.841 1.00 0.97 H new ATOM 0 HG LEU A 6 4.761 -21.316 1.493 1.00 1.06 H new ATOM 0 HD11 LEU A 6 2.969 -21.583 3.186 1.00 1.53 H new ATOM 0 HD12 LEU A 6 3.272 -19.864 2.842 1.00 1.53 H new ATOM 0 HD13 LEU A 6 1.849 -20.674 2.144 1.00 1.53 H new ATOM 0 HD21 LEU A 6 3.262 -23.288 1.384 1.00 1.42 H new ATOM 0 HD22 LEU A 6 2.144 -22.380 0.340 1.00 1.42 H new ATOM 0 HD23 LEU A 6 3.776 -22.785 -0.244 1.00 1.42 H new ATOM 107 N GLY A 7 6.021 -19.630 2.270 1.00 0.89 N ATOM 108 CA GLY A 7 6.412 -19.290 3.666 1.00 0.93 C ATOM 109 C GLY A 7 7.272 -18.027 3.649 1.00 0.83 C ATOM 110 O GLY A 7 7.186 -17.193 4.530 1.00 0.82 O ATOM 0 H GLY A 7 6.410 -20.501 1.910 1.00 0.89 H new ATOM 0 HA2 GLY A 7 5.524 -19.132 4.278 1.00 0.93 H new ATOM 0 HA3 GLY A 7 6.965 -20.116 4.114 1.00 0.93 H new ATOM 114 N VAL A 8 8.099 -17.876 2.651 1.00 0.79 N ATOM 115 CA VAL A 8 8.960 -16.662 2.575 1.00 0.74 C ATOM 116 C VAL A 8 8.229 -15.552 1.831 1.00 0.65 C ATOM 117 O VAL A 8 8.500 -14.381 2.005 1.00 0.65 O ATOM 118 CB VAL A 8 10.210 -17.103 1.812 1.00 0.83 C ATOM 119 CG1 VAL A 8 10.957 -15.872 1.295 1.00 0.82 C ATOM 120 CG2 VAL A 8 11.124 -17.897 2.747 1.00 1.00 C ATOM 0 H VAL A 8 8.216 -18.540 1.886 1.00 0.79 H new ATOM 0 HA VAL A 8 9.213 -16.269 3.560 1.00 0.74 H new ATOM 0 HB VAL A 8 9.917 -17.729 0.969 1.00 0.83 H new ATOM 0 HG11 VAL A 8 11.847 -16.188 0.752 1.00 0.82 H new ATOM 0 HG12 VAL A 8 10.307 -15.305 0.628 1.00 0.82 H new ATOM 0 HG13 VAL A 8 11.250 -15.244 2.136 1.00 0.82 H new ATOM 0 HG21 VAL A 8 12.015 -18.212 2.204 1.00 1.00 H new ATOM 0 HG22 VAL A 8 11.415 -17.270 3.590 1.00 1.00 H new ATOM 0 HG23 VAL A 8 10.594 -18.776 3.114 1.00 1.00 H new ATOM 130 N PHE A 9 7.295 -15.920 1.014 1.00 0.63 N ATOM 131 CA PHE A 9 6.521 -14.898 0.257 1.00 0.60 C ATOM 132 C PHE A 9 5.615 -14.130 1.220 1.00 0.52 C ATOM 133 O PHE A 9 5.303 -12.975 1.011 1.00 0.50 O ATOM 134 CB PHE A 9 5.688 -15.686 -0.754 1.00 0.70 C ATOM 135 CG PHE A 9 6.055 -15.254 -2.152 1.00 1.48 C ATOM 136 CD1 PHE A 9 5.957 -13.905 -2.515 1.00 1.54 C ATOM 137 CD2 PHE A 9 6.493 -16.200 -3.087 1.00 2.54 C ATOM 138 CE1 PHE A 9 6.297 -13.501 -3.812 1.00 2.38 C ATOM 139 CE2 PHE A 9 6.833 -15.796 -4.384 1.00 3.41 C ATOM 140 CZ PHE A 9 6.734 -14.447 -4.746 1.00 3.26 C ATOM 0 H PHE A 9 7.029 -16.888 0.833 1.00 0.63 H new ATOM 0 HA PHE A 9 7.163 -14.170 -0.239 1.00 0.60 H new ATOM 0 HB2 PHE A 9 5.866 -16.755 -0.634 1.00 0.70 H new ATOM 0 HB3 PHE A 9 4.626 -15.517 -0.577 1.00 0.70 H new ATOM 0 HD1 PHE A 9 5.619 -13.176 -1.794 1.00 1.54 H new ATOM 0 HD2 PHE A 9 6.569 -17.241 -2.808 1.00 2.54 H new ATOM 0 HE1 PHE A 9 6.222 -12.460 -4.091 1.00 2.38 H new ATOM 0 HE2 PHE A 9 7.172 -16.525 -5.105 1.00 3.41 H new ATOM 0 HZ PHE A 9 6.995 -14.136 -5.747 1.00 3.26 H new ATOM 150 N VAL A 10 5.200 -14.766 2.282 1.00 0.55 N ATOM 151 CA VAL A 10 4.323 -14.076 3.269 1.00 0.55 C ATOM 152 C VAL A 10 5.184 -13.314 4.279 1.00 0.49 C ATOM 153 O VAL A 10 4.869 -12.208 4.665 1.00 0.50 O ATOM 154 CB VAL A 10 3.540 -15.194 3.958 1.00 0.66 C ATOM 155 CG1 VAL A 10 2.725 -14.609 5.112 1.00 0.87 C ATOM 156 CG2 VAL A 10 2.595 -15.849 2.948 1.00 0.67 C ATOM 0 H VAL A 10 5.431 -15.733 2.508 1.00 0.55 H new ATOM 0 HA VAL A 10 3.657 -13.350 2.802 1.00 0.55 H new ATOM 0 HB VAL A 10 4.234 -15.940 4.345 1.00 0.66 H new ATOM 0 HG11 VAL A 10 2.167 -15.406 5.604 1.00 0.87 H new ATOM 0 HG12 VAL A 10 3.397 -14.140 5.831 1.00 0.87 H new ATOM 0 HG13 VAL A 10 2.030 -13.864 4.725 1.00 0.87 H new ATOM 0 HG21 VAL A 10 2.036 -16.646 3.437 1.00 0.67 H new ATOM 0 HG22 VAL A 10 1.901 -15.103 2.562 1.00 0.67 H new ATOM 0 HG23 VAL A 10 3.175 -16.265 2.124 1.00 0.67 H new ATOM 166 N ASP A 11 6.277 -13.890 4.704 1.00 0.52 N ATOM 167 CA ASP A 11 7.152 -13.177 5.676 1.00 0.51 C ATOM 168 C ASP A 11 7.707 -11.916 5.025 1.00 0.45 C ATOM 169 O ASP A 11 8.162 -11.001 5.684 1.00 0.44 O ATOM 170 CB ASP A 11 8.275 -14.160 6.008 1.00 0.60 C ATOM 171 CG ASP A 11 8.935 -13.756 7.328 1.00 1.10 C ATOM 172 OD1 ASP A 11 8.259 -13.148 8.142 1.00 1.78 O ATOM 173 OD2 ASP A 11 10.103 -14.060 7.503 1.00 1.80 O ATOM 0 H ASP A 11 6.599 -14.816 4.422 1.00 0.52 H new ATOM 0 HA ASP A 11 6.619 -12.870 6.576 1.00 0.51 H new ATOM 0 HB2 ASP A 11 7.876 -15.172 6.083 1.00 0.60 H new ATOM 0 HB3 ASP A 11 9.014 -14.168 5.207 1.00 0.60 H new ATOM 178 N GLU A 12 7.652 -11.865 3.730 1.00 0.43 N ATOM 179 CA GLU A 12 8.153 -10.669 3.000 1.00 0.41 C ATOM 180 C GLU A 12 7.016 -9.663 2.818 1.00 0.37 C ATOM 181 O GLU A 12 7.202 -8.470 2.954 1.00 0.41 O ATOM 182 CB GLU A 12 8.627 -11.198 1.646 1.00 0.47 C ATOM 183 CG GLU A 12 10.028 -11.794 1.793 1.00 0.95 C ATOM 184 CD GLU A 12 10.827 -11.545 0.511 1.00 1.40 C ATOM 185 OE1 GLU A 12 11.036 -10.389 0.182 1.00 1.94 O ATOM 186 OE2 GLU A 12 11.214 -12.515 -0.119 1.00 2.02 O ATOM 0 H GLU A 12 7.278 -12.606 3.137 1.00 0.43 H new ATOM 0 HA GLU A 12 8.954 -10.158 3.534 1.00 0.41 H new ATOM 0 HB2 GLU A 12 7.935 -11.955 1.277 1.00 0.47 H new ATOM 0 HB3 GLU A 12 8.638 -10.392 0.912 1.00 0.47 H new ATOM 0 HG2 GLU A 12 10.538 -11.345 2.645 1.00 0.95 H new ATOM 0 HG3 GLU A 12 9.961 -12.864 1.990 1.00 0.95 H new ATOM 193 N THR A 13 5.835 -10.136 2.519 1.00 0.38 N ATOM 194 CA THR A 13 4.688 -9.204 2.339 1.00 0.39 C ATOM 195 C THR A 13 4.371 -8.513 3.668 1.00 0.37 C ATOM 196 O THR A 13 3.823 -7.430 3.703 1.00 0.43 O ATOM 197 CB THR A 13 3.519 -10.083 1.876 1.00 0.43 C ATOM 198 OG1 THR A 13 2.546 -9.270 1.234 1.00 1.25 O ATOM 199 CG2 THR A 13 2.879 -10.790 3.073 1.00 1.25 C ATOM 0 H THR A 13 5.617 -11.124 2.392 1.00 0.38 H new ATOM 0 HA THR A 13 4.897 -8.416 1.615 1.00 0.39 H new ATOM 0 HB THR A 13 3.894 -10.834 1.181 1.00 0.43 H new ATOM 0 HG1 THR A 13 1.798 -9.829 0.935 1.00 1.25 H new ATOM 0 HG21 THR A 13 2.051 -11.410 2.729 1.00 1.25 H new ATOM 0 HG22 THR A 13 3.622 -11.417 3.565 1.00 1.25 H new ATOM 0 HG23 THR A 13 2.507 -10.047 3.778 1.00 1.25 H new ATOM 207 N LYS A 14 4.724 -9.131 4.764 1.00 0.33 N ATOM 208 CA LYS A 14 4.457 -8.508 6.090 1.00 0.33 C ATOM 209 C LYS A 14 5.562 -7.504 6.416 1.00 0.34 C ATOM 210 O LYS A 14 5.300 -6.388 6.819 1.00 0.36 O ATOM 211 CB LYS A 14 4.468 -9.669 7.086 1.00 0.33 C ATOM 212 CG LYS A 14 3.070 -10.284 7.167 1.00 0.47 C ATOM 213 CD LYS A 14 3.130 -11.749 6.728 1.00 0.67 C ATOM 214 CE LYS A 14 2.347 -12.611 7.721 1.00 1.13 C ATOM 215 NZ LYS A 14 3.385 -13.246 8.580 1.00 2.06 N ATOM 0 H LYS A 14 5.186 -10.040 4.797 1.00 0.33 H new ATOM 0 HA LYS A 14 3.511 -7.967 6.117 1.00 0.33 H new ATOM 0 HB2 LYS A 14 5.191 -10.423 6.774 1.00 0.33 H new ATOM 0 HB3 LYS A 14 4.779 -9.316 8.069 1.00 0.33 H new ATOM 0 HG2 LYS A 14 2.689 -10.214 8.186 1.00 0.47 H new ATOM 0 HG3 LYS A 14 2.380 -9.730 6.530 1.00 0.47 H new ATOM 0 HD2 LYS A 14 2.712 -11.857 5.727 1.00 0.67 H new ATOM 0 HD3 LYS A 14 4.166 -12.083 6.678 1.00 0.67 H new ATOM 0 HE2 LYS A 14 1.660 -12.006 8.313 1.00 1.13 H new ATOM 0 HE3 LYS A 14 1.748 -13.361 7.206 1.00 1.13 H new ATOM 0 HZ1 LYS A 14 2.926 -13.854 9.288 1.00 2.06 H new ATOM 0 HZ2 LYS A 14 4.020 -13.821 7.990 1.00 2.06 H new ATOM 0 HZ3 LYS A 14 3.935 -12.507 9.063 1.00 2.06 H new ATOM 229 N GLU A 15 6.796 -7.883 6.228 1.00 0.35 N ATOM 230 CA GLU A 15 7.908 -6.934 6.512 1.00 0.37 C ATOM 231 C GLU A 15 7.817 -5.746 5.558 1.00 0.37 C ATOM 232 O GLU A 15 8.453 -4.729 5.744 1.00 0.39 O ATOM 233 CB GLU A 15 9.192 -7.730 6.269 1.00 0.42 C ATOM 234 CG GLU A 15 9.350 -8.788 7.362 1.00 1.02 C ATOM 235 CD GLU A 15 10.785 -9.320 7.355 1.00 1.42 C ATOM 236 OE1 GLU A 15 11.358 -9.408 6.281 1.00 1.78 O ATOM 237 OE2 GLU A 15 11.287 -9.630 8.423 1.00 2.17 O ATOM 0 H GLU A 15 7.081 -8.803 5.892 1.00 0.35 H new ATOM 0 HA GLU A 15 7.874 -6.539 7.527 1.00 0.37 H new ATOM 0 HB2 GLU A 15 9.157 -8.206 5.289 1.00 0.42 H new ATOM 0 HB3 GLU A 15 10.053 -7.061 6.268 1.00 0.42 H new ATOM 0 HG2 GLU A 15 9.115 -8.358 8.336 1.00 1.02 H new ATOM 0 HG3 GLU A 15 8.647 -9.605 7.196 1.00 1.02 H new ATOM 244 N TYR A 16 7.016 -5.877 4.544 1.00 0.36 N ATOM 245 CA TYR A 16 6.850 -4.772 3.564 1.00 0.38 C ATOM 246 C TYR A 16 5.701 -3.863 3.997 1.00 0.35 C ATOM 247 O TYR A 16 5.808 -2.658 3.951 1.00 0.40 O ATOM 248 CB TYR A 16 6.526 -5.458 2.236 1.00 0.43 C ATOM 249 CG TYR A 16 7.769 -5.518 1.381 1.00 0.59 C ATOM 250 CD1 TYR A 16 9.031 -5.597 1.983 1.00 1.35 C ATOM 251 CD2 TYR A 16 7.660 -5.497 -0.015 1.00 1.20 C ATOM 252 CE1 TYR A 16 10.183 -5.652 1.188 1.00 1.52 C ATOM 253 CE2 TYR A 16 8.811 -5.554 -0.809 1.00 1.40 C ATOM 254 CZ TYR A 16 10.073 -5.632 -0.207 1.00 1.16 C ATOM 255 OH TYR A 16 11.208 -5.688 -0.990 1.00 1.47 O ATOM 0 H TYR A 16 6.462 -6.711 4.349 1.00 0.36 H new ATOM 0 HA TYR A 16 7.740 -4.148 3.486 1.00 0.38 H new ATOM 0 HB2 TYR A 16 6.148 -6.464 2.417 1.00 0.43 H new ATOM 0 HB3 TYR A 16 5.740 -4.911 1.715 1.00 0.43 H new ATOM 0 HD1 TYR A 16 9.116 -5.616 3.059 1.00 1.35 H new ATOM 0 HD2 TYR A 16 6.687 -5.437 -0.479 1.00 1.20 H new ATOM 0 HE1 TYR A 16 11.157 -5.710 1.652 1.00 1.52 H new ATOM 0 HE2 TYR A 16 8.726 -5.538 -1.886 1.00 1.40 H new ATOM 0 HH TYR A 16 10.954 -5.665 -1.936 1.00 1.47 H new ATOM 265 N LEU A 17 4.605 -4.426 4.430 1.00 0.33 N ATOM 266 CA LEU A 17 3.470 -3.570 4.877 1.00 0.33 C ATOM 267 C LEU A 17 3.949 -2.680 6.013 1.00 0.32 C ATOM 268 O LEU A 17 3.595 -1.524 6.109 1.00 0.34 O ATOM 269 CB LEU A 17 2.394 -4.539 5.363 1.00 0.37 C ATOM 270 CG LEU A 17 1.838 -5.305 4.168 1.00 1.18 C ATOM 271 CD1 LEU A 17 0.959 -6.456 4.660 1.00 1.81 C ATOM 272 CD2 LEU A 17 1.004 -4.357 3.303 1.00 1.87 C ATOM 0 H LEU A 17 4.448 -5.432 4.493 1.00 0.33 H new ATOM 0 HA LEU A 17 3.085 -2.926 4.086 1.00 0.33 H new ATOM 0 HB2 LEU A 17 2.813 -5.232 6.092 1.00 0.37 H new ATOM 0 HB3 LEU A 17 1.595 -3.993 5.865 1.00 0.37 H new ATOM 0 HG LEU A 17 2.662 -5.708 3.578 1.00 1.18 H new ATOM 0 HD11 LEU A 17 0.562 -7.002 3.804 1.00 1.81 H new ATOM 0 HD12 LEU A 17 1.554 -7.130 5.277 1.00 1.81 H new ATOM 0 HD13 LEU A 17 0.134 -6.057 5.250 1.00 1.81 H new ATOM 0 HD21 LEU A 17 0.605 -4.902 2.447 1.00 1.87 H new ATOM 0 HD22 LEU A 17 0.181 -3.955 3.894 1.00 1.87 H new ATOM 0 HD23 LEU A 17 1.632 -3.538 2.951 1.00 1.87 H new ATOM 284 N GLN A 18 4.781 -3.212 6.858 1.00 0.31 N ATOM 285 CA GLN A 18 5.326 -2.400 7.973 1.00 0.33 C ATOM 286 C GLN A 18 6.265 -1.375 7.377 1.00 0.31 C ATOM 287 O GLN A 18 6.167 -0.188 7.621 1.00 0.32 O ATOM 288 CB GLN A 18 6.044 -3.412 8.864 1.00 0.37 C ATOM 289 CG GLN A 18 7.534 -3.074 9.015 1.00 1.21 C ATOM 290 CD GLN A 18 8.120 -3.862 10.188 1.00 1.57 C ATOM 291 OE1 GLN A 18 8.967 -4.713 10.000 1.00 2.07 O ATOM 292 NE2 GLN A 18 7.702 -3.614 11.398 1.00 2.11 N ATOM 0 H GLN A 18 5.108 -4.178 6.824 1.00 0.31 H new ATOM 0 HA GLN A 18 4.582 -1.853 8.552 1.00 0.33 H new ATOM 0 HB2 GLN A 18 5.573 -3.431 9.847 1.00 0.37 H new ATOM 0 HB3 GLN A 18 5.938 -4.411 8.440 1.00 0.37 H new ATOM 0 HG2 GLN A 18 8.068 -3.318 8.097 1.00 1.21 H new ATOM 0 HG3 GLN A 18 7.660 -2.004 9.183 1.00 1.21 H new ATOM 0 HE21 GLN A 18 6.991 -2.900 11.556 1.00 2.11 H new ATOM 0 HE22 GLN A 18 8.086 -4.134 12.187 1.00 2.11 H new ATOM 301 N ASN A 19 7.138 -1.835 6.549 1.00 0.32 N ATOM 302 CA ASN A 19 8.056 -0.903 5.865 1.00 0.33 C ATOM 303 C ASN A 19 7.196 0.053 5.059 1.00 0.30 C ATOM 304 O ASN A 19 7.562 1.177 4.776 1.00 0.32 O ATOM 305 CB ASN A 19 8.912 -1.782 4.949 1.00 0.36 C ATOM 306 CG ASN A 19 10.351 -1.811 5.470 1.00 1.06 C ATOM 307 OD1 ASN A 19 10.577 -1.894 6.660 1.00 1.93 O ATOM 308 ND2 ASN A 19 11.339 -1.748 4.620 1.00 1.67 N ATOM 0 H ASN A 19 7.259 -2.820 6.313 1.00 0.32 H new ATOM 0 HA ASN A 19 8.690 -0.323 6.536 1.00 0.33 H new ATOM 0 HB2 ASN A 19 8.506 -2.793 4.914 1.00 0.36 H new ATOM 0 HB3 ASN A 19 8.890 -1.394 3.931 1.00 0.36 H new ATOM 0 HD21 ASN A 19 12.302 -1.768 4.955 1.00 1.67 H new ATOM 0 HD22 ASN A 19 11.148 -1.678 3.620 1.00 1.67 H new ATOM 315 N LEU A 20 6.030 -0.405 4.713 1.00 0.28 N ATOM 316 CA LEU A 20 5.082 0.436 3.941 1.00 0.29 C ATOM 317 C LEU A 20 4.166 1.185 4.900 1.00 0.29 C ATOM 318 O LEU A 20 3.484 2.116 4.525 1.00 0.32 O ATOM 319 CB LEU A 20 4.292 -0.545 3.072 1.00 0.30 C ATOM 320 CG LEU A 20 2.991 0.108 2.600 1.00 0.31 C ATOM 321 CD1 LEU A 20 3.309 1.224 1.604 1.00 0.36 C ATOM 322 CD2 LEU A 20 2.112 -0.946 1.923 1.00 0.42 C ATOM 0 H LEU A 20 5.689 -1.340 4.936 1.00 0.28 H new ATOM 0 HA LEU A 20 5.584 1.187 3.331 1.00 0.29 H new ATOM 0 HB2 LEU A 20 4.891 -0.846 2.212 1.00 0.30 H new ATOM 0 HB3 LEU A 20 4.070 -1.449 3.639 1.00 0.30 H new ATOM 0 HG LEU A 20 2.464 0.529 3.456 1.00 0.31 H new ATOM 0 HD11 LEU A 20 2.381 1.688 1.269 1.00 0.36 H new ATOM 0 HD12 LEU A 20 3.936 1.974 2.086 1.00 0.36 H new ATOM 0 HD13 LEU A 20 3.836 0.807 0.746 1.00 0.36 H new ATOM 0 HD21 LEU A 20 1.184 -0.484 1.586 1.00 0.42 H new ATOM 0 HD22 LEU A 20 2.641 -1.365 1.067 1.00 0.42 H new ATOM 0 HD23 LEU A 20 1.884 -1.741 2.634 1.00 0.42 H new ATOM 334 N ASN A 21 4.181 0.815 6.146 1.00 0.28 N ATOM 335 CA ASN A 21 3.356 1.531 7.130 1.00 0.31 C ATOM 336 C ASN A 21 4.239 2.591 7.711 1.00 0.31 C ATOM 337 O ASN A 21 3.826 3.681 8.034 1.00 0.33 O ATOM 338 CB ASN A 21 2.964 0.507 8.188 1.00 0.33 C ATOM 339 CG ASN A 21 1.591 -0.078 7.854 1.00 0.84 C ATOM 340 OD1 ASN A 21 0.821 0.522 7.130 1.00 1.43 O ATOM 341 ND2 ASN A 21 1.248 -1.233 8.356 1.00 1.61 N ATOM 0 H ASN A 21 4.734 0.043 6.519 1.00 0.28 H new ATOM 0 HA ASN A 21 2.456 1.985 6.714 1.00 0.31 H new ATOM 0 HB2 ASN A 21 3.708 -0.288 8.232 1.00 0.33 H new ATOM 0 HB3 ASN A 21 2.941 0.976 9.171 1.00 0.33 H new ATOM 0 HD21 ASN A 21 0.334 -1.632 8.141 1.00 1.61 H new ATOM 0 HD22 ASN A 21 1.894 -1.737 8.964 1.00 1.61 H new ATOM 348 N ASP A 22 5.483 2.265 7.811 1.00 0.32 N ATOM 349 CA ASP A 22 6.442 3.238 8.337 1.00 0.34 C ATOM 350 C ASP A 22 6.603 4.330 7.298 1.00 0.32 C ATOM 351 O ASP A 22 6.838 5.484 7.593 1.00 0.34 O ATOM 352 CB ASP A 22 7.745 2.471 8.562 1.00 0.36 C ATOM 353 CG ASP A 22 8.131 2.543 10.041 1.00 0.95 C ATOM 354 OD1 ASP A 22 7.236 2.499 10.869 1.00 1.66 O ATOM 355 OD2 ASP A 22 9.314 2.639 10.320 1.00 1.58 O ATOM 0 H ASP A 22 5.875 1.361 7.549 1.00 0.32 H new ATOM 0 HA ASP A 22 6.126 3.702 9.271 1.00 0.34 H new ATOM 0 HB2 ASP A 22 7.625 1.432 8.257 1.00 0.36 H new ATOM 0 HB3 ASP A 22 8.539 2.894 7.947 1.00 0.36 H new ATOM 360 N THR A 23 6.427 3.945 6.078 1.00 0.31 N ATOM 361 CA THR A 23 6.505 4.902 4.951 1.00 0.31 C ATOM 362 C THR A 23 5.218 5.713 4.918 1.00 0.32 C ATOM 363 O THR A 23 5.221 6.912 4.723 1.00 0.36 O ATOM 364 CB THR A 23 6.563 4.006 3.730 1.00 0.32 C ATOM 365 OG1 THR A 23 7.767 3.252 3.748 1.00 0.33 O ATOM 366 CG2 THR A 23 6.497 4.852 2.459 1.00 0.36 C ATOM 0 H THR A 23 6.227 2.983 5.805 1.00 0.31 H new ATOM 0 HA THR A 23 7.347 5.591 5.016 1.00 0.31 H new ATOM 0 HB THR A 23 5.713 3.324 3.745 1.00 0.32 H new ATOM 0 HG1 THR A 23 7.554 2.297 3.811 1.00 0.33 H new ATOM 0 HG21 THR A 23 6.539 4.201 1.586 1.00 0.36 H new ATOM 0 HG22 THR A 23 5.565 5.417 2.446 1.00 0.36 H new ATOM 0 HG23 THR A 23 7.340 5.543 2.438 1.00 0.36 H new ATOM 374 N LEU A 24 4.112 5.050 5.126 1.00 0.31 N ATOM 375 CA LEU A 24 2.811 5.755 5.128 1.00 0.35 C ATOM 376 C LEU A 24 2.663 6.481 6.454 1.00 0.37 C ATOM 377 O LEU A 24 2.021 7.506 6.546 1.00 0.41 O ATOM 378 CB LEU A 24 1.755 4.656 4.994 1.00 0.41 C ATOM 379 CG LEU A 24 1.532 4.333 3.516 1.00 0.78 C ATOM 380 CD1 LEU A 24 0.792 2.998 3.392 1.00 1.19 C ATOM 381 CD2 LEU A 24 0.694 5.440 2.874 1.00 1.27 C ATOM 0 H LEU A 24 4.060 4.045 5.295 1.00 0.31 H new ATOM 0 HA LEU A 24 2.717 6.488 4.326 1.00 0.35 H new ATOM 0 HB2 LEU A 24 2.077 3.762 5.527 1.00 0.41 H new ATOM 0 HB3 LEU A 24 0.820 4.979 5.451 1.00 0.41 H new ATOM 0 HG LEU A 24 2.495 4.264 3.009 1.00 0.78 H new ATOM 0 HD11 LEU A 24 0.633 2.767 2.339 1.00 1.19 H new ATOM 0 HD12 LEU A 24 1.387 2.208 3.851 1.00 1.19 H new ATOM 0 HD13 LEU A 24 -0.171 3.067 3.898 1.00 1.19 H new ATOM 0 HD21 LEU A 24 0.534 5.211 1.820 1.00 1.27 H new ATOM 0 HD22 LEU A 24 -0.269 5.508 3.381 1.00 1.27 H new ATOM 0 HD23 LEU A 24 1.218 6.391 2.963 1.00 1.27 H new ATOM 393 N LEU A 25 3.272 5.957 7.485 1.00 0.38 N ATOM 394 CA LEU A 25 3.173 6.631 8.815 1.00 0.44 C ATOM 395 C LEU A 25 4.103 7.823 8.860 1.00 0.43 C ATOM 396 O LEU A 25 3.938 8.738 9.641 1.00 0.48 O ATOM 397 CB LEU A 25 3.574 5.578 9.831 1.00 0.50 C ATOM 398 CG LEU A 25 2.426 4.596 9.941 1.00 1.11 C ATOM 399 CD1 LEU A 25 2.905 3.310 10.610 1.00 1.82 C ATOM 400 CD2 LEU A 25 1.304 5.236 10.759 1.00 1.72 C ATOM 0 H LEU A 25 3.828 5.102 7.466 1.00 0.38 H new ATOM 0 HA LEU A 25 2.171 7.009 9.017 1.00 0.44 H new ATOM 0 HB2 LEU A 25 4.486 5.069 9.518 1.00 0.50 H new ATOM 0 HB3 LEU A 25 3.781 6.037 10.798 1.00 0.50 H new ATOM 0 HG LEU A 25 2.053 4.348 8.947 1.00 1.11 H new ATOM 0 HD11 LEU A 25 2.074 2.608 10.686 1.00 1.82 H new ATOM 0 HD12 LEU A 25 3.702 2.865 10.015 1.00 1.82 H new ATOM 0 HD13 LEU A 25 3.281 3.537 11.608 1.00 1.82 H new ATOM 0 HD21 LEU A 25 0.472 4.537 10.844 1.00 1.72 H new ATOM 0 HD22 LEU A 25 1.674 5.483 11.754 1.00 1.72 H new ATOM 0 HD23 LEU A 25 0.965 6.145 10.262 1.00 1.72 H new ATOM 412 N GLU A 26 5.034 7.845 7.974 1.00 0.39 N ATOM 413 CA GLU A 26 5.939 9.003 7.885 1.00 0.40 C ATOM 414 C GLU A 26 5.315 9.921 6.866 1.00 0.38 C ATOM 415 O GLU A 26 5.482 11.125 6.875 1.00 0.42 O ATOM 416 CB GLU A 26 7.286 8.448 7.419 1.00 0.40 C ATOM 417 CG GLU A 26 7.953 7.696 8.572 1.00 0.45 C ATOM 418 CD GLU A 26 9.150 6.904 8.041 1.00 1.15 C ATOM 419 OE1 GLU A 26 9.902 7.460 7.258 1.00 1.77 O ATOM 420 OE2 GLU A 26 9.293 5.756 8.427 1.00 1.96 O ATOM 0 H GLU A 26 5.211 7.102 7.298 1.00 0.39 H new ATOM 0 HA GLU A 26 6.089 9.549 8.816 1.00 0.40 H new ATOM 0 HB2 GLU A 26 7.142 7.780 6.570 1.00 0.40 H new ATOM 0 HB3 GLU A 26 7.929 9.260 7.080 1.00 0.40 H new ATOM 0 HG2 GLU A 26 8.280 8.399 9.338 1.00 0.45 H new ATOM 0 HG3 GLU A 26 7.237 7.022 9.043 1.00 0.45 H new ATOM 427 N LEU A 27 4.560 9.323 5.997 1.00 0.33 N ATOM 428 CA LEU A 27 3.860 10.082 4.965 1.00 0.32 C ATOM 429 C LEU A 27 2.750 10.894 5.624 1.00 0.36 C ATOM 430 O LEU A 27 2.394 11.964 5.174 1.00 0.38 O ATOM 431 CB LEU A 27 3.292 9.021 4.023 1.00 0.31 C ATOM 432 CG LEU A 27 2.413 9.685 2.969 1.00 0.31 C ATOM 433 CD1 LEU A 27 3.289 10.475 1.997 1.00 0.36 C ATOM 434 CD2 LEU A 27 1.645 8.607 2.204 1.00 0.38 C ATOM 0 H LEU A 27 4.403 8.316 5.968 1.00 0.33 H new ATOM 0 HA LEU A 27 4.498 10.783 4.427 1.00 0.32 H new ATOM 0 HB2 LEU A 27 4.104 8.476 3.542 1.00 0.31 H new ATOM 0 HB3 LEU A 27 2.711 8.293 4.589 1.00 0.31 H new ATOM 0 HG LEU A 27 1.710 10.363 3.453 1.00 0.31 H new ATOM 0 HD11 LEU A 27 2.660 10.949 1.244 1.00 0.36 H new ATOM 0 HD12 LEU A 27 3.840 11.240 2.544 1.00 0.36 H new ATOM 0 HD13 LEU A 27 3.992 9.800 1.510 1.00 0.36 H new ATOM 0 HD21 LEU A 27 1.015 9.076 1.449 1.00 0.38 H new ATOM 0 HD22 LEU A 27 2.351 7.932 1.719 1.00 0.38 H new ATOM 0 HD23 LEU A 27 1.021 8.043 2.898 1.00 0.38 H new ATOM 446 N GLU A 28 2.215 10.399 6.709 1.00 0.40 N ATOM 447 CA GLU A 28 1.148 11.154 7.415 1.00 0.46 C ATOM 448 C GLU A 28 1.767 12.411 8.014 1.00 0.51 C ATOM 449 O GLU A 28 1.191 13.482 7.983 1.00 0.56 O ATOM 450 CB GLU A 28 0.665 10.235 8.538 1.00 0.51 C ATOM 451 CG GLU A 28 0.172 8.908 7.963 1.00 1.30 C ATOM 452 CD GLU A 28 -1.144 8.518 8.637 1.00 1.58 C ATOM 453 OE1 GLU A 28 -1.746 9.377 9.261 1.00 2.19 O ATOM 454 OE2 GLU A 28 -1.527 7.365 8.522 1.00 1.91 O ATOM 0 H GLU A 28 2.472 9.508 7.133 1.00 0.40 H new ATOM 0 HA GLU A 28 0.330 11.442 6.755 1.00 0.46 H new ATOM 0 HB2 GLU A 28 1.476 10.054 9.243 1.00 0.51 H new ATOM 0 HB3 GLU A 28 -0.138 10.719 9.093 1.00 0.51 H new ATOM 0 HG2 GLU A 28 0.029 8.997 6.886 1.00 1.30 H new ATOM 0 HG3 GLU A 28 0.919 8.130 8.122 1.00 1.30 H new ATOM 461 N LYS A 29 2.952 12.285 8.548 1.00 0.51 N ATOM 462 CA LYS A 29 3.629 13.470 9.138 1.00 0.58 C ATOM 463 C LYS A 29 4.180 14.329 8.006 1.00 0.57 C ATOM 464 O LYS A 29 4.415 15.513 8.145 1.00 0.64 O ATOM 465 CB LYS A 29 4.719 12.880 10.045 1.00 0.61 C ATOM 466 CG LYS A 29 6.132 13.190 9.536 1.00 1.26 C ATOM 467 CD LYS A 29 7.022 12.002 9.850 1.00 1.33 C ATOM 468 CE LYS A 29 7.126 11.817 11.366 1.00 2.18 C ATOM 469 NZ LYS A 29 7.984 12.940 11.836 1.00 2.83 N ATOM 0 H LYS A 29 3.478 11.413 8.600 1.00 0.51 H new ATOM 0 HA LYS A 29 2.978 14.123 9.719 1.00 0.58 H new ATOM 0 HB2 LYS A 29 4.603 13.277 11.053 1.00 0.61 H new ATOM 0 HB3 LYS A 29 4.588 11.800 10.111 1.00 0.61 H new ATOM 0 HG2 LYS A 29 6.116 13.379 8.463 1.00 1.26 H new ATOM 0 HG3 LYS A 29 6.518 14.091 10.013 1.00 1.26 H new ATOM 0 HD2 LYS A 29 6.615 11.100 9.392 1.00 1.33 H new ATOM 0 HD3 LYS A 29 8.014 12.157 9.425 1.00 1.33 H new ATOM 0 HE2 LYS A 29 6.143 11.849 11.835 1.00 2.18 H new ATOM 0 HE3 LYS A 29 7.567 10.852 11.616 1.00 2.18 H new ATOM 0 HZ1 LYS A 29 8.419 12.687 12.746 1.00 2.83 H new ATOM 0 HZ2 LYS A 29 8.730 13.124 11.135 1.00 2.83 H new ATOM 0 HZ3 LYS A 29 7.403 13.794 11.955 1.00 2.83 H new ATOM 483 N ASN A 30 4.356 13.717 6.881 1.00 0.51 N ATOM 484 CA ASN A 30 4.861 14.441 5.684 1.00 0.53 C ATOM 485 C ASN A 30 4.299 13.766 4.452 1.00 0.49 C ATOM 486 O ASN A 30 4.953 12.987 3.791 1.00 0.47 O ATOM 487 CB ASN A 30 6.387 14.348 5.737 1.00 0.57 C ATOM 488 CG ASN A 30 6.976 15.743 5.959 1.00 0.81 C ATOM 489 OD1 ASN A 30 6.379 16.733 5.587 1.00 1.45 O ATOM 490 ND2 ASN A 30 8.133 15.862 6.552 1.00 1.46 N ATOM 0 H ASN A 30 4.169 12.725 6.732 1.00 0.51 H new ATOM 0 HA ASN A 30 4.559 15.488 5.657 1.00 0.53 H new ATOM 0 HB2 ASN A 30 6.693 13.680 6.542 1.00 0.57 H new ATOM 0 HB3 ASN A 30 6.769 13.924 4.808 1.00 0.57 H new ATOM 0 HD21 ASN A 30 8.536 16.787 6.703 1.00 1.46 H new ATOM 0 HD22 ASN A 30 8.634 15.030 6.864 1.00 1.46 H new ATOM 497 N PRO A 31 3.069 14.084 4.225 1.00 0.51 N ATOM 498 CA PRO A 31 2.321 13.510 3.104 1.00 0.51 C ATOM 499 C PRO A 31 2.531 14.323 1.824 1.00 0.57 C ATOM 500 O PRO A 31 1.751 14.248 0.896 1.00 0.66 O ATOM 501 CB PRO A 31 0.888 13.609 3.594 1.00 0.57 C ATOM 502 CG PRO A 31 0.850 14.742 4.571 1.00 0.62 C ATOM 503 CD PRO A 31 2.257 15.017 5.011 1.00 0.59 C ATOM 0 HA PRO A 31 2.625 12.496 2.845 1.00 0.51 H new ATOM 0 HB2 PRO A 31 0.206 13.790 2.763 1.00 0.57 H new ATOM 0 HB3 PRO A 31 0.575 12.678 4.067 1.00 0.57 H new ATOM 0 HG2 PRO A 31 0.414 15.629 4.111 1.00 0.62 H new ATOM 0 HG3 PRO A 31 0.225 14.487 5.427 1.00 0.62 H new ATOM 0 HD2 PRO A 31 2.540 16.052 4.817 1.00 0.59 H new ATOM 0 HD3 PRO A 31 2.380 14.848 6.081 1.00 0.59 H new ATOM 511 N GLU A 32 3.575 15.097 1.769 1.00 0.55 N ATOM 512 CA GLU A 32 3.835 15.913 0.546 1.00 0.63 C ATOM 513 C GLU A 32 5.328 15.894 0.220 1.00 0.65 C ATOM 514 O GLU A 32 5.783 16.541 -0.702 1.00 0.75 O ATOM 515 CB GLU A 32 3.373 17.348 0.868 1.00 0.64 C ATOM 516 CG GLU A 32 2.874 17.449 2.315 1.00 0.61 C ATOM 517 CD GLU A 32 2.787 18.919 2.727 1.00 0.68 C ATOM 518 OE1 GLU A 32 3.824 19.558 2.792 1.00 1.28 O ATOM 519 OE2 GLU A 32 1.685 19.380 2.972 1.00 1.27 O ATOM 0 H GLU A 32 4.262 15.203 2.516 1.00 0.55 H new ATOM 0 HA GLU A 32 3.301 15.518 -0.319 1.00 0.63 H new ATOM 0 HB2 GLU A 32 4.198 18.043 0.714 1.00 0.64 H new ATOM 0 HB3 GLU A 32 2.577 17.641 0.183 1.00 0.64 H new ATOM 0 HG2 GLU A 32 1.896 16.977 2.407 1.00 0.61 H new ATOM 0 HG3 GLU A 32 3.550 16.914 2.982 1.00 0.61 H new ATOM 526 N ASP A 33 6.093 15.153 0.972 1.00 0.61 N ATOM 527 CA ASP A 33 7.556 15.086 0.708 1.00 0.71 C ATOM 528 C ASP A 33 7.811 14.463 -0.660 1.00 0.89 C ATOM 529 O ASP A 33 8.888 14.557 -1.215 1.00 1.86 O ATOM 530 CB ASP A 33 8.129 14.205 1.820 1.00 0.58 C ATOM 531 CG ASP A 33 7.270 12.950 1.978 1.00 0.83 C ATOM 532 OD1 ASP A 33 6.781 12.458 0.975 1.00 1.63 O ATOM 533 OD2 ASP A 33 7.116 12.501 3.102 1.00 1.34 O ATOM 0 H ASP A 33 5.767 14.591 1.758 1.00 0.61 H new ATOM 0 HA ASP A 33 8.019 16.073 0.701 1.00 0.71 H new ATOM 0 HB2 ASP A 33 9.156 13.927 1.584 1.00 0.58 H new ATOM 0 HB3 ASP A 33 8.156 14.759 2.758 1.00 0.58 H new ATOM 538 N MET A 34 6.820 13.819 -1.194 1.00 0.59 N ATOM 539 CA MET A 34 6.957 13.161 -2.523 1.00 0.55 C ATOM 540 C MET A 34 7.953 12.011 -2.439 1.00 0.50 C ATOM 541 O MET A 34 8.246 11.357 -3.420 1.00 0.65 O ATOM 542 CB MET A 34 7.450 14.251 -3.476 1.00 0.79 C ATOM 543 CG MET A 34 6.299 14.685 -4.386 1.00 0.89 C ATOM 544 SD MET A 34 6.326 13.698 -5.904 1.00 1.21 S ATOM 545 CE MET A 34 4.805 14.358 -6.630 1.00 1.01 C ATOM 0 H MET A 34 5.902 13.717 -0.761 1.00 0.59 H new ATOM 0 HA MET A 34 6.015 12.735 -2.869 1.00 0.55 H new ATOM 0 HB2 MET A 34 7.823 15.104 -2.909 1.00 0.79 H new ATOM 0 HB3 MET A 34 8.281 13.878 -4.074 1.00 0.79 H new ATOM 0 HG2 MET A 34 5.346 14.556 -3.872 1.00 0.89 H new ATOM 0 HG3 MET A 34 6.391 15.744 -4.626 1.00 0.89 H new ATOM 0 HE1 MET A 34 4.595 13.841 -7.566 1.00 1.01 H new ATOM 0 HE2 MET A 34 3.976 14.207 -5.938 1.00 1.01 H new ATOM 0 HE3 MET A 34 4.927 15.424 -6.823 1.00 1.01 H new ATOM 555 N GLU A 35 8.445 11.730 -1.268 1.00 0.43 N ATOM 556 CA GLU A 35 9.380 10.596 -1.119 1.00 0.41 C ATOM 557 C GLU A 35 8.607 9.463 -0.474 1.00 0.35 C ATOM 558 O GLU A 35 8.687 8.320 -0.879 1.00 0.39 O ATOM 559 CB GLU A 35 10.507 11.100 -0.214 1.00 0.44 C ATOM 560 CG GLU A 35 10.031 11.137 1.241 1.00 1.47 C ATOM 561 CD GLU A 35 11.177 11.605 2.140 1.00 1.52 C ATOM 562 OE1 GLU A 35 12.309 11.584 1.684 1.00 1.82 O ATOM 563 OE2 GLU A 35 10.904 11.976 3.271 1.00 1.91 O ATOM 0 H GLU A 35 8.237 12.240 -0.409 1.00 0.43 H new ATOM 0 HA GLU A 35 9.798 10.237 -2.060 1.00 0.41 H new ATOM 0 HB2 GLU A 35 11.376 10.449 -0.305 1.00 0.44 H new ATOM 0 HB3 GLU A 35 10.820 12.096 -0.529 1.00 0.44 H new ATOM 0 HG2 GLU A 35 9.179 11.810 1.339 1.00 1.47 H new ATOM 0 HG3 GLU A 35 9.693 10.148 1.550 1.00 1.47 H new ATOM 570 N LEU A 36 7.811 9.790 0.501 1.00 0.32 N ATOM 571 CA LEU A 36 6.978 8.745 1.140 1.00 0.31 C ATOM 572 C LEU A 36 5.833 8.422 0.188 1.00 0.30 C ATOM 573 O LEU A 36 5.236 7.365 0.245 1.00 0.34 O ATOM 574 CB LEU A 36 6.453 9.362 2.435 1.00 0.31 C ATOM 575 CG LEU A 36 7.627 9.774 3.320 1.00 0.36 C ATOM 576 CD1 LEU A 36 7.124 10.066 4.730 1.00 0.70 C ATOM 577 CD2 LEU A 36 8.657 8.641 3.373 1.00 0.86 C ATOM 0 H LEU A 36 7.703 10.731 0.880 1.00 0.32 H new ATOM 0 HA LEU A 36 7.524 7.826 1.353 1.00 0.31 H new ATOM 0 HB2 LEU A 36 5.832 10.229 2.211 1.00 0.31 H new ATOM 0 HB3 LEU A 36 5.822 8.646 2.961 1.00 0.31 H new ATOM 0 HG LEU A 36 8.093 10.668 2.905 1.00 0.36 H new ATOM 0 HD11 LEU A 36 7.962 10.360 5.362 1.00 0.70 H new ATOM 0 HD12 LEU A 36 6.394 10.875 4.696 1.00 0.70 H new ATOM 0 HD13 LEU A 36 6.656 9.172 5.142 1.00 0.70 H new ATOM 0 HD21 LEU A 36 9.493 8.939 4.005 1.00 0.86 H new ATOM 0 HD22 LEU A 36 8.192 7.745 3.785 1.00 0.86 H new ATOM 0 HD23 LEU A 36 9.020 8.432 2.367 1.00 0.86 H new ATOM 589 N ILE A 37 5.539 9.328 -0.712 1.00 0.28 N ATOM 590 CA ILE A 37 4.455 9.075 -1.693 1.00 0.29 C ATOM 591 C ILE A 37 4.970 8.115 -2.764 1.00 0.29 C ATOM 592 O ILE A 37 4.240 7.290 -3.275 1.00 0.32 O ATOM 593 CB ILE A 37 4.136 10.442 -2.298 1.00 0.32 C ATOM 594 CG1 ILE A 37 3.324 11.265 -1.294 1.00 0.35 C ATOM 595 CG2 ILE A 37 3.323 10.255 -3.579 1.00 0.38 C ATOM 596 CD1 ILE A 37 2.933 12.601 -1.928 1.00 0.39 C ATOM 0 H ILE A 37 6.007 10.230 -0.804 1.00 0.28 H new ATOM 0 HA ILE A 37 3.570 8.625 -1.244 1.00 0.29 H new ATOM 0 HB ILE A 37 5.065 10.963 -2.530 1.00 0.32 H new ATOM 0 HG12 ILE A 37 2.431 10.716 -0.996 1.00 0.35 H new ATOM 0 HG13 ILE A 37 3.909 11.436 -0.390 1.00 0.35 H new ATOM 0 HG21 ILE A 37 3.095 11.230 -4.011 1.00 0.38 H new ATOM 0 HG22 ILE A 37 3.900 9.667 -4.293 1.00 0.38 H new ATOM 0 HG23 ILE A 37 2.394 9.735 -3.347 1.00 0.38 H new ATOM 0 HD11 ILE A 37 2.355 13.187 -1.214 1.00 0.39 H new ATOM 0 HD12 ILE A 37 3.833 13.150 -2.204 1.00 0.39 H new ATOM 0 HD13 ILE A 37 2.332 12.419 -2.819 1.00 0.39 H new ATOM 608 N ASN A 38 6.233 8.207 -3.099 1.00 0.30 N ATOM 609 CA ASN A 38 6.787 7.284 -4.128 1.00 0.33 C ATOM 610 C ASN A 38 7.335 6.034 -3.454 1.00 0.34 C ATOM 611 O ASN A 38 7.458 4.986 -4.056 1.00 0.38 O ATOM 612 CB ASN A 38 7.902 8.067 -4.822 1.00 0.37 C ATOM 613 CG ASN A 38 8.017 7.610 -6.277 1.00 0.95 C ATOM 614 OD1 ASN A 38 7.103 7.016 -6.813 1.00 1.86 O ATOM 615 ND2 ASN A 38 9.110 7.863 -6.943 1.00 1.47 N ATOM 0 H ASN A 38 6.896 8.875 -2.707 1.00 0.30 H new ATOM 0 HA ASN A 38 6.032 6.957 -4.843 1.00 0.33 H new ATOM 0 HB2 ASN A 38 7.690 9.135 -4.781 1.00 0.37 H new ATOM 0 HB3 ASN A 38 8.848 7.909 -4.304 1.00 0.37 H new ATOM 0 HD21 ASN A 38 9.197 7.562 -7.914 1.00 1.47 H new ATOM 0 HD22 ASN A 38 9.878 8.362 -6.493 1.00 1.47 H new ATOM 622 N GLU A 39 7.637 6.136 -2.199 1.00 0.35 N ATOM 623 CA GLU A 39 8.153 4.954 -1.458 1.00 0.38 C ATOM 624 C GLU A 39 6.983 4.042 -1.122 1.00 0.36 C ATOM 625 O GLU A 39 7.125 2.850 -0.936 1.00 0.36 O ATOM 626 CB GLU A 39 8.795 5.514 -0.188 1.00 0.45 C ATOM 627 CG GLU A 39 10.168 6.102 -0.525 1.00 0.81 C ATOM 628 CD GLU A 39 11.261 5.233 0.098 1.00 1.31 C ATOM 629 OE1 GLU A 39 11.240 4.033 -0.130 1.00 2.02 O ATOM 630 OE2 GLU A 39 12.101 5.780 0.794 1.00 1.85 O ATOM 0 H GLU A 39 7.550 6.990 -1.647 1.00 0.35 H new ATOM 0 HA GLU A 39 8.875 4.372 -2.031 1.00 0.38 H new ATOM 0 HB2 GLU A 39 8.156 6.282 0.247 1.00 0.45 H new ATOM 0 HB3 GLU A 39 8.898 4.726 0.558 1.00 0.45 H new ATOM 0 HG2 GLU A 39 10.299 6.151 -1.606 1.00 0.81 H new ATOM 0 HG3 GLU A 39 10.241 7.122 -0.149 1.00 0.81 H new ATOM 637 N ALA A 40 5.822 4.613 -1.071 1.00 0.36 N ATOM 638 CA ALA A 40 4.600 3.821 -0.776 1.00 0.36 C ATOM 639 C ALA A 40 3.997 3.320 -2.089 1.00 0.34 C ATOM 640 O ALA A 40 3.681 2.156 -2.233 1.00 0.37 O ATOM 641 CB ALA A 40 3.655 4.797 -0.076 1.00 0.40 C ATOM 0 H ALA A 40 5.662 5.609 -1.223 1.00 0.36 H new ATOM 0 HA ALA A 40 4.797 2.947 -0.155 1.00 0.36 H new ATOM 0 HB1 ALA A 40 2.725 4.286 0.176 1.00 0.40 H new ATOM 0 HB2 ALA A 40 4.124 5.167 0.836 1.00 0.40 H new ATOM 0 HB3 ALA A 40 3.441 5.635 -0.739 1.00 0.40 H new ATOM 647 N PHE A 41 3.849 4.187 -3.059 1.00 0.32 N ATOM 648 CA PHE A 41 3.285 3.744 -4.365 1.00 0.33 C ATOM 649 C PHE A 41 4.050 2.511 -4.855 1.00 0.33 C ATOM 650 O PHE A 41 3.497 1.634 -5.488 1.00 0.39 O ATOM 651 CB PHE A 41 3.496 4.930 -5.310 1.00 0.35 C ATOM 652 CG PHE A 41 3.402 4.463 -6.745 1.00 0.38 C ATOM 653 CD1 PHE A 41 4.512 3.875 -7.362 1.00 0.49 C ATOM 654 CD2 PHE A 41 2.206 4.617 -7.455 1.00 0.47 C ATOM 655 CE1 PHE A 41 4.426 3.442 -8.691 1.00 0.59 C ATOM 656 CE2 PHE A 41 2.120 4.185 -8.784 1.00 0.57 C ATOM 657 CZ PHE A 41 3.231 3.596 -9.402 1.00 0.59 C ATOM 0 H PHE A 41 4.093 5.176 -3.002 1.00 0.32 H new ATOM 0 HA PHE A 41 2.233 3.467 -4.302 1.00 0.33 H new ATOM 0 HB2 PHE A 41 2.747 5.698 -5.118 1.00 0.35 H new ATOM 0 HB3 PHE A 41 4.471 5.383 -5.128 1.00 0.35 H new ATOM 0 HD1 PHE A 41 5.435 3.755 -6.813 1.00 0.49 H new ATOM 0 HD2 PHE A 41 1.349 5.069 -6.978 1.00 0.47 H new ATOM 0 HE1 PHE A 41 5.283 2.989 -9.167 1.00 0.59 H new ATOM 0 HE2 PHE A 41 1.198 4.306 -9.333 1.00 0.57 H new ATOM 0 HZ PHE A 41 3.165 3.261 -10.427 1.00 0.59 H new ATOM 667 N ARG A 42 5.319 2.440 -4.557 1.00 0.36 N ATOM 668 CA ARG A 42 6.125 1.264 -4.994 1.00 0.40 C ATOM 669 C ARG A 42 5.810 0.058 -4.106 1.00 0.39 C ATOM 670 O ARG A 42 5.286 -0.937 -4.563 1.00 0.47 O ATOM 671 CB ARG A 42 7.582 1.694 -4.820 1.00 0.49 C ATOM 672 CG ARG A 42 7.925 2.771 -5.850 1.00 1.09 C ATOM 673 CD ARG A 42 9.385 3.194 -5.678 1.00 1.51 C ATOM 674 NE ARG A 42 10.125 2.451 -6.735 1.00 2.21 N ATOM 675 CZ ARG A 42 11.380 2.137 -6.554 1.00 2.80 C ATOM 676 NH1 ARG A 42 12.201 3.008 -6.035 1.00 3.40 N ATOM 677 NH2 ARG A 42 11.812 0.953 -6.894 1.00 3.17 N ATOM 0 H ARG A 42 5.833 3.146 -4.030 1.00 0.36 H new ATOM 0 HA ARG A 42 5.910 0.971 -6.022 1.00 0.40 H new ATOM 0 HB2 ARG A 42 7.741 2.077 -3.812 1.00 0.49 H new ATOM 0 HB3 ARG A 42 8.242 0.836 -4.943 1.00 0.49 H new ATOM 0 HG2 ARG A 42 7.762 2.390 -6.858 1.00 1.09 H new ATOM 0 HG3 ARG A 42 7.268 3.632 -5.724 1.00 1.09 H new ATOM 0 HD2 ARG A 42 9.501 4.271 -5.797 1.00 1.51 H new ATOM 0 HD3 ARG A 42 9.755 2.941 -4.684 1.00 1.51 H new ATOM 0 HE ARG A 42 9.652 2.187 -7.600 1.00 2.21 H new ATOM 0 HH11 ARG A 42 11.863 3.933 -5.771 1.00 3.40 H new ATOM 0 HH12 ARG A 42 13.181 2.764 -5.893 1.00 3.40 H new ATOM 0 HH21 ARG A 42 11.170 0.273 -7.301 1.00 3.17 H new ATOM 0 HH22 ARG A 42 12.792 0.708 -6.753 1.00 3.17 H new ATOM 691 N ALA A 43 6.122 0.142 -2.840 1.00 0.38 N ATOM 692 CA ALA A 43 5.834 -1.000 -1.924 1.00 0.38 C ATOM 693 C ALA A 43 4.455 -1.583 -2.227 1.00 0.35 C ATOM 694 O ALA A 43 4.310 -2.767 -2.450 1.00 0.39 O ATOM 695 CB ALA A 43 5.866 -0.399 -0.518 1.00 0.42 C ATOM 0 H ALA A 43 6.563 0.950 -2.401 1.00 0.38 H new ATOM 0 HA ALA A 43 6.553 -1.811 -2.036 1.00 0.38 H new ATOM 0 HB1 ALA A 43 5.662 -1.179 0.216 1.00 0.42 H new ATOM 0 HB2 ALA A 43 6.850 0.030 -0.328 1.00 0.42 H new ATOM 0 HB3 ALA A 43 5.109 0.381 -0.438 1.00 0.42 H new ATOM 701 N LEU A 44 3.442 -0.762 -2.249 1.00 0.32 N ATOM 702 CA LEU A 44 2.079 -1.279 -2.550 1.00 0.31 C ATOM 703 C LEU A 44 2.034 -1.782 -3.991 1.00 0.30 C ATOM 704 O LEU A 44 1.339 -2.726 -4.310 1.00 0.37 O ATOM 705 CB LEU A 44 1.148 -0.083 -2.355 1.00 0.33 C ATOM 706 CG LEU A 44 0.925 0.145 -0.862 1.00 0.38 C ATOM 707 CD1 LEU A 44 0.288 1.519 -0.643 1.00 0.42 C ATOM 708 CD2 LEU A 44 -0.004 -0.941 -0.315 1.00 0.45 C ATOM 0 H LEU A 44 3.499 0.241 -2.072 1.00 0.32 H new ATOM 0 HA LEU A 44 1.790 -2.113 -1.910 1.00 0.31 H new ATOM 0 HB2 LEU A 44 1.581 0.808 -2.810 1.00 0.33 H new ATOM 0 HB3 LEU A 44 0.196 -0.264 -2.853 1.00 0.33 H new ATOM 0 HG LEU A 44 1.882 0.103 -0.341 1.00 0.38 H new ATOM 0 HD11 LEU A 44 0.129 1.681 0.423 1.00 0.42 H new ATOM 0 HD12 LEU A 44 0.949 2.293 -1.033 1.00 0.42 H new ATOM 0 HD13 LEU A 44 -0.669 1.564 -1.163 1.00 0.42 H new ATOM 0 HD21 LEU A 44 -0.164 -0.780 0.751 1.00 0.45 H new ATOM 0 HD22 LEU A 44 -0.960 -0.898 -0.836 1.00 0.45 H new ATOM 0 HD23 LEU A 44 0.450 -1.920 -0.470 1.00 0.45 H new ATOM 720 N HIS A 45 2.792 -1.172 -4.858 1.00 0.27 N ATOM 721 CA HIS A 45 2.819 -1.630 -6.273 1.00 0.27 C ATOM 722 C HIS A 45 3.623 -2.924 -6.346 1.00 0.27 C ATOM 723 O HIS A 45 3.373 -3.788 -7.163 1.00 0.29 O ATOM 724 CB HIS A 45 3.518 -0.506 -7.039 1.00 0.30 C ATOM 725 CG HIS A 45 3.791 -0.956 -8.449 1.00 0.55 C ATOM 726 ND1 HIS A 45 4.819 -0.421 -9.209 1.00 1.45 N ATOM 727 CD2 HIS A 45 3.177 -1.886 -9.250 1.00 1.22 C ATOM 728 CE1 HIS A 45 4.794 -1.029 -10.410 1.00 1.50 C ATOM 729 NE2 HIS A 45 3.812 -1.931 -10.488 1.00 1.26 N ATOM 0 H HIS A 45 3.394 -0.376 -4.647 1.00 0.27 H new ATOM 0 HA HIS A 45 1.830 -1.829 -6.685 1.00 0.27 H new ATOM 0 HB2 HIS A 45 2.894 0.388 -7.045 1.00 0.30 H new ATOM 0 HB3 HIS A 45 4.452 -0.239 -6.544 1.00 0.30 H new ATOM 0 HD2 HIS A 45 2.330 -2.491 -8.963 1.00 1.22 H new ATOM 0 HE1 HIS A 45 5.484 -0.814 -11.213 1.00 1.50 H new ATOM 0 HE2 HIS A 45 3.578 -2.525 -11.283 1.00 1.26 H new ATOM 737 N THR A 46 4.576 -3.065 -5.468 1.00 0.28 N ATOM 738 CA THR A 46 5.399 -4.300 -5.437 1.00 0.30 C ATOM 739 C THR A 46 4.652 -5.363 -4.623 1.00 0.29 C ATOM 740 O THR A 46 4.684 -6.537 -4.935 1.00 0.32 O ATOM 741 CB THR A 46 6.711 -3.867 -4.759 1.00 0.34 C ATOM 742 OG1 THR A 46 7.683 -3.595 -5.757 1.00 0.43 O ATOM 743 CG2 THR A 46 7.233 -4.968 -3.831 1.00 0.33 C ATOM 0 H THR A 46 4.820 -2.368 -4.764 1.00 0.28 H new ATOM 0 HA THR A 46 5.594 -4.733 -6.418 1.00 0.30 H new ATOM 0 HB THR A 46 6.520 -2.973 -4.165 1.00 0.34 H new ATOM 0 HG1 THR A 46 8.521 -3.317 -5.331 1.00 0.43 H new ATOM 0 HG21 THR A 46 8.161 -4.640 -3.363 1.00 0.33 H new ATOM 0 HG22 THR A 46 6.491 -5.176 -3.060 1.00 0.33 H new ATOM 0 HG23 THR A 46 7.419 -5.873 -4.409 1.00 0.33 H new ATOM 751 N LEU A 47 3.966 -4.952 -3.589 1.00 0.33 N ATOM 752 CA LEU A 47 3.201 -5.927 -2.766 1.00 0.37 C ATOM 753 C LEU A 47 1.995 -6.422 -3.565 1.00 0.35 C ATOM 754 O LEU A 47 1.609 -7.572 -3.484 1.00 0.37 O ATOM 755 CB LEU A 47 2.756 -5.139 -1.533 1.00 0.49 C ATOM 756 CG LEU A 47 3.601 -5.557 -0.331 1.00 0.54 C ATOM 757 CD1 LEU A 47 3.319 -4.617 0.842 1.00 0.99 C ATOM 758 CD2 LEU A 47 3.245 -6.991 0.069 1.00 0.87 C ATOM 0 H LEU A 47 3.904 -3.982 -3.281 1.00 0.33 H new ATOM 0 HA LEU A 47 3.786 -6.803 -2.487 1.00 0.37 H new ATOM 0 HB2 LEU A 47 2.864 -4.069 -1.713 1.00 0.49 H new ATOM 0 HB3 LEU A 47 1.701 -5.323 -1.331 1.00 0.49 H new ATOM 0 HG LEU A 47 4.657 -5.504 -0.594 1.00 0.54 H new ATOM 0 HD11 LEU A 47 3.922 -4.915 1.700 1.00 0.99 H new ATOM 0 HD12 LEU A 47 3.571 -3.595 0.558 1.00 0.99 H new ATOM 0 HD13 LEU A 47 2.262 -4.670 1.105 1.00 0.99 H new ATOM 0 HD21 LEU A 47 3.848 -7.290 0.927 1.00 0.87 H new ATOM 0 HD22 LEU A 47 2.188 -7.044 0.332 1.00 0.87 H new ATOM 0 HD23 LEU A 47 3.445 -7.662 -0.766 1.00 0.87 H new ATOM 770 N LYS A 48 1.408 -5.560 -4.350 1.00 0.37 N ATOM 771 CA LYS A 48 0.239 -5.970 -5.175 1.00 0.41 C ATOM 772 C LYS A 48 0.687 -7.009 -6.206 1.00 0.38 C ATOM 773 O LYS A 48 0.033 -8.009 -6.427 1.00 0.46 O ATOM 774 CB LYS A 48 -0.216 -4.683 -5.864 1.00 0.51 C ATOM 775 CG LYS A 48 -1.229 -5.010 -6.962 1.00 0.71 C ATOM 776 CD LYS A 48 -0.897 -4.195 -8.209 1.00 0.88 C ATOM 777 CE LYS A 48 0.070 -4.987 -9.088 1.00 1.04 C ATOM 778 NZ LYS A 48 -0.276 -4.606 -10.486 1.00 1.21 N ATOM 0 H LYS A 48 1.690 -4.585 -4.455 1.00 0.37 H new ATOM 0 HA LYS A 48 -0.563 -6.420 -4.590 1.00 0.41 H new ATOM 0 HB2 LYS A 48 -0.663 -4.008 -5.134 1.00 0.51 H new ATOM 0 HB3 LYS A 48 0.643 -4.166 -6.292 1.00 0.51 H new ATOM 0 HG2 LYS A 48 -1.203 -6.075 -7.192 1.00 0.71 H new ATOM 0 HG3 LYS A 48 -2.239 -4.781 -6.622 1.00 0.71 H new ATOM 0 HD2 LYS A 48 -1.808 -3.969 -8.763 1.00 0.88 H new ATOM 0 HD3 LYS A 48 -0.451 -3.241 -7.926 1.00 0.88 H new ATOM 0 HE2 LYS A 48 1.106 -4.739 -8.857 1.00 1.04 H new ATOM 0 HE3 LYS A 48 -0.044 -6.060 -8.932 1.00 1.04 H new ATOM 0 HZ1 LYS A 48 0.347 -5.111 -11.148 1.00 1.21 H new ATOM 0 HZ2 LYS A 48 -1.266 -4.860 -10.680 1.00 1.21 H new ATOM 0 HZ3 LYS A 48 -0.152 -3.581 -10.607 1.00 1.21 H new ATOM 792 N GLY A 49 1.807 -6.780 -6.836 1.00 0.34 N ATOM 793 CA GLY A 49 2.306 -7.753 -7.850 1.00 0.38 C ATOM 794 C GLY A 49 2.566 -9.100 -7.177 1.00 0.38 C ATOM 795 O GLY A 49 2.464 -10.142 -7.793 1.00 0.48 O ATOM 0 H GLY A 49 2.398 -5.961 -6.693 1.00 0.34 H new ATOM 0 HA2 GLY A 49 1.574 -7.869 -8.650 1.00 0.38 H new ATOM 0 HA3 GLY A 49 3.222 -7.380 -8.308 1.00 0.38 H new ATOM 799 N MET A 50 2.901 -9.088 -5.916 1.00 0.41 N ATOM 800 CA MET A 50 3.166 -10.370 -5.202 1.00 0.46 C ATOM 801 C MET A 50 1.845 -11.041 -4.818 1.00 0.43 C ATOM 802 O MET A 50 1.795 -12.224 -4.545 1.00 0.51 O ATOM 803 CB MET A 50 3.946 -9.970 -3.948 1.00 0.50 C ATOM 804 CG MET A 50 5.371 -9.575 -4.336 1.00 0.93 C ATOM 805 SD MET A 50 6.467 -9.784 -2.910 1.00 1.33 S ATOM 806 CE MET A 50 5.428 -8.938 -1.695 1.00 0.36 C ATOM 0 H MET A 50 3.003 -8.246 -5.349 1.00 0.41 H new ATOM 0 HA MET A 50 3.718 -11.080 -5.817 1.00 0.46 H new ATOM 0 HB2 MET A 50 3.450 -9.138 -3.449 1.00 0.50 H new ATOM 0 HB3 MET A 50 3.967 -10.799 -3.241 1.00 0.50 H new ATOM 0 HG2 MET A 50 5.717 -10.190 -5.167 1.00 0.93 H new ATOM 0 HG3 MET A 50 5.393 -8.540 -4.676 1.00 0.93 H new ATOM 0 HE1 MET A 50 5.952 -8.886 -0.741 1.00 0.36 H new ATOM 0 HE2 MET A 50 5.209 -7.929 -2.044 1.00 0.36 H new ATOM 0 HE3 MET A 50 4.496 -9.488 -1.567 1.00 0.36 H new ATOM 816 N ALA A 51 0.775 -10.294 -4.800 1.00 0.42 N ATOM 817 CA ALA A 51 -0.546 -10.885 -4.437 1.00 0.49 C ATOM 818 C ALA A 51 -1.250 -11.395 -5.693 1.00 0.54 C ATOM 819 O ALA A 51 -2.235 -12.103 -5.624 1.00 0.69 O ATOM 820 CB ALA A 51 -1.328 -9.734 -3.808 1.00 0.58 C ATOM 0 H ALA A 51 0.758 -9.298 -5.021 1.00 0.42 H new ATOM 0 HA ALA A 51 -0.455 -11.733 -3.758 1.00 0.49 H new ATOM 0 HB1 ALA A 51 -2.316 -10.085 -3.511 1.00 0.58 H new ATOM 0 HB2 ALA A 51 -0.794 -9.368 -2.931 1.00 0.58 H new ATOM 0 HB3 ALA A 51 -1.432 -8.926 -4.532 1.00 0.58 H new ATOM 826 N GLY A 52 -0.741 -11.050 -6.842 1.00 0.50 N ATOM 827 CA GLY A 52 -1.363 -11.522 -8.107 1.00 0.62 C ATOM 828 C GLY A 52 -0.709 -12.843 -8.493 1.00 0.73 C ATOM 829 O GLY A 52 -1.346 -13.746 -8.998 1.00 0.89 O ATOM 0 H GLY A 52 0.082 -10.459 -6.959 1.00 0.50 H new ATOM 0 HA2 GLY A 52 -2.437 -11.653 -7.977 1.00 0.62 H new ATOM 0 HA3 GLY A 52 -1.225 -10.784 -8.897 1.00 0.62 H new ATOM 833 N THR A 53 0.563 -12.961 -8.239 1.00 1.13 N ATOM 834 CA THR A 53 1.279 -14.221 -8.566 1.00 1.34 C ATOM 835 C THR A 53 1.016 -15.255 -7.471 1.00 1.13 C ATOM 836 O THR A 53 1.308 -16.424 -7.615 1.00 1.48 O ATOM 837 CB THR A 53 2.757 -13.824 -8.611 1.00 1.47 C ATOM 838 OG1 THR A 53 3.058 -13.281 -9.889 1.00 1.99 O ATOM 839 CG2 THR A 53 3.637 -15.045 -8.353 1.00 1.36 C ATOM 0 H THR A 53 1.140 -12.234 -7.816 1.00 1.13 H new ATOM 0 HA THR A 53 0.956 -14.668 -9.506 1.00 1.34 H new ATOM 0 HB THR A 53 2.952 -13.079 -7.839 1.00 1.47 H new ATOM 0 HG1 THR A 53 4.003 -13.024 -9.921 1.00 1.99 H new ATOM 0 HG21 THR A 53 4.686 -14.751 -8.387 1.00 1.36 H new ATOM 0 HG22 THR A 53 3.408 -15.458 -7.371 1.00 1.36 H new ATOM 0 HG23 THR A 53 3.446 -15.799 -9.117 1.00 1.36 H new ATOM 847 N MET A 54 0.455 -14.822 -6.382 1.00 0.73 N ATOM 848 CA MET A 54 0.153 -15.761 -5.266 1.00 0.82 C ATOM 849 C MET A 54 -1.228 -16.380 -5.465 1.00 1.47 C ATOM 850 O MET A 54 -1.713 -17.129 -4.641 1.00 1.71 O ATOM 851 CB MET A 54 0.184 -14.906 -4.000 1.00 1.05 C ATOM 852 CG MET A 54 0.922 -15.659 -2.892 1.00 1.51 C ATOM 853 SD MET A 54 2.328 -14.672 -2.324 1.00 1.74 S ATOM 854 CE MET A 54 3.486 -15.157 -3.627 1.00 1.36 C ATOM 0 H MET A 54 0.190 -13.852 -6.213 1.00 0.73 H new ATOM 0 HA MET A 54 0.867 -16.583 -5.212 1.00 0.82 H new ATOM 0 HB2 MET A 54 0.680 -13.957 -4.202 1.00 1.05 H new ATOM 0 HB3 MET A 54 -0.832 -14.673 -3.681 1.00 1.05 H new ATOM 0 HG2 MET A 54 0.246 -15.859 -2.061 1.00 1.51 H new ATOM 0 HG3 MET A 54 1.268 -16.624 -3.262 1.00 1.51 H new ATOM 0 HE1 MET A 54 4.103 -14.302 -3.902 1.00 1.36 H new ATOM 0 HE2 MET A 54 4.124 -15.963 -3.265 1.00 1.36 H new ATOM 0 HE3 MET A 54 2.929 -15.499 -4.500 1.00 1.36 H new ATOM 864 N GLY A 55 -1.863 -16.071 -6.558 1.00 1.90 N ATOM 865 CA GLY A 55 -3.213 -16.636 -6.821 1.00 2.72 C ATOM 866 C GLY A 55 -4.258 -15.850 -6.030 1.00 1.93 C ATOM 867 O GLY A 55 -5.430 -16.170 -6.047 1.00 2.43 O ATOM 0 H GLY A 55 -1.504 -15.450 -7.283 1.00 1.90 H new ATOM 0 HA2 GLY A 55 -3.437 -16.589 -7.887 1.00 2.72 H new ATOM 0 HA3 GLY A 55 -3.241 -17.688 -6.535 1.00 2.72 H new ATOM 871 N PHE A 56 -3.848 -14.822 -5.336 1.00 0.79 N ATOM 872 CA PHE A 56 -4.831 -14.025 -4.550 1.00 0.60 C ATOM 873 C PHE A 56 -4.855 -12.582 -5.053 1.00 0.57 C ATOM 874 O PHE A 56 -4.585 -11.653 -4.318 1.00 0.86 O ATOM 875 CB PHE A 56 -4.332 -14.092 -3.107 1.00 1.23 C ATOM 876 CG PHE A 56 -4.561 -15.482 -2.565 1.00 1.81 C ATOM 877 CD1 PHE A 56 -5.792 -16.117 -2.771 1.00 2.07 C ATOM 878 CD2 PHE A 56 -3.543 -16.136 -1.862 1.00 2.43 C ATOM 879 CE1 PHE A 56 -6.005 -17.408 -2.272 1.00 2.71 C ATOM 880 CE2 PHE A 56 -3.757 -17.428 -1.364 1.00 3.02 C ATOM 881 CZ PHE A 56 -4.987 -18.064 -1.568 1.00 3.10 C ATOM 0 H PHE A 56 -2.881 -14.502 -5.280 1.00 0.79 H new ATOM 0 HA PHE A 56 -5.848 -14.408 -4.642 1.00 0.60 H new ATOM 0 HB2 PHE A 56 -3.272 -13.843 -3.065 1.00 1.23 H new ATOM 0 HB3 PHE A 56 -4.857 -13.359 -2.494 1.00 1.23 H new ATOM 0 HD1 PHE A 56 -6.577 -15.611 -3.314 1.00 2.07 H new ATOM 0 HD2 PHE A 56 -2.594 -15.646 -1.704 1.00 2.43 H new ATOM 0 HE1 PHE A 56 -6.954 -17.898 -2.430 1.00 2.71 H new ATOM 0 HE2 PHE A 56 -2.972 -17.934 -0.822 1.00 3.02 H new ATOM 0 HZ PHE A 56 -5.151 -19.060 -1.183 1.00 3.10 H new ATOM 891 N SER A 57 -5.175 -12.386 -6.303 1.00 0.53 N ATOM 892 CA SER A 57 -5.214 -11.003 -6.849 1.00 0.52 C ATOM 893 C SER A 57 -6.299 -10.197 -6.148 1.00 0.50 C ATOM 894 O SER A 57 -6.313 -8.982 -6.188 1.00 0.53 O ATOM 895 CB SER A 57 -5.529 -11.162 -8.334 1.00 0.66 C ATOM 896 OG SER A 57 -4.972 -12.382 -8.806 1.00 0.82 O ATOM 0 H SER A 57 -5.410 -13.123 -6.967 1.00 0.53 H new ATOM 0 HA SER A 57 -4.274 -10.472 -6.696 1.00 0.52 H new ATOM 0 HB2 SER A 57 -6.608 -11.157 -8.491 1.00 0.66 H new ATOM 0 HB3 SER A 57 -5.121 -10.322 -8.896 1.00 0.66 H new ATOM 0 HG SER A 57 -5.175 -12.487 -9.759 1.00 0.82 H new ATOM 902 N SER A 58 -7.190 -10.867 -5.485 1.00 0.52 N ATOM 903 CA SER A 58 -8.269 -10.153 -4.750 1.00 0.55 C ATOM 904 C SER A 58 -7.620 -9.288 -3.682 1.00 0.53 C ATOM 905 O SER A 58 -8.026 -8.172 -3.426 1.00 0.62 O ATOM 906 CB SER A 58 -9.122 -11.250 -4.114 1.00 0.61 C ATOM 907 OG SER A 58 -9.764 -11.998 -5.137 1.00 0.84 O ATOM 0 H SER A 58 -7.221 -11.884 -5.418 1.00 0.52 H new ATOM 0 HA SER A 58 -8.876 -9.511 -5.388 1.00 0.55 H new ATOM 0 HB2 SER A 58 -8.498 -11.905 -3.506 1.00 0.61 H new ATOM 0 HB3 SER A 58 -9.865 -10.809 -3.449 1.00 0.61 H new ATOM 0 HG SER A 58 -10.311 -12.704 -4.732 1.00 0.84 H new ATOM 913 N MET A 59 -6.586 -9.798 -3.076 1.00 0.46 N ATOM 914 CA MET A 59 -5.865 -9.019 -2.043 1.00 0.50 C ATOM 915 C MET A 59 -4.854 -8.116 -2.736 1.00 0.41 C ATOM 916 O MET A 59 -4.411 -7.118 -2.199 1.00 0.43 O ATOM 917 CB MET A 59 -5.167 -10.068 -1.176 1.00 0.60 C ATOM 918 CG MET A 59 -4.319 -9.372 -0.109 1.00 0.66 C ATOM 919 SD MET A 59 -2.968 -10.466 0.392 1.00 1.00 S ATOM 920 CE MET A 59 -2.274 -10.726 -1.257 1.00 0.83 C ATOM 0 H MET A 59 -6.209 -10.729 -3.256 1.00 0.46 H new ATOM 0 HA MET A 59 -6.515 -8.384 -1.442 1.00 0.50 H new ATOM 0 HB2 MET A 59 -5.907 -10.714 -0.703 1.00 0.60 H new ATOM 0 HB3 MET A 59 -4.537 -10.706 -1.796 1.00 0.60 H new ATOM 0 HG2 MET A 59 -3.918 -8.437 -0.500 1.00 0.66 H new ATOM 0 HG3 MET A 59 -4.936 -9.119 0.753 1.00 0.66 H new ATOM 0 HE1 MET A 59 -1.187 -10.773 -1.191 1.00 0.83 H new ATOM 0 HE2 MET A 59 -2.654 -11.661 -1.668 1.00 0.83 H new ATOM 0 HE3 MET A 59 -2.562 -9.900 -1.907 1.00 0.83 H new ATOM 930 N ALA A 60 -4.498 -8.457 -3.942 1.00 0.37 N ATOM 931 CA ALA A 60 -3.530 -7.622 -4.692 1.00 0.35 C ATOM 932 C ALA A 60 -4.246 -6.408 -5.270 1.00 0.30 C ATOM 933 O ALA A 60 -3.706 -5.323 -5.318 1.00 0.32 O ATOM 934 CB ALA A 60 -3.010 -8.524 -5.810 1.00 0.42 C ATOM 0 H ALA A 60 -4.838 -9.280 -4.439 1.00 0.37 H new ATOM 0 HA ALA A 60 -2.719 -7.252 -4.065 1.00 0.35 H new ATOM 0 HB1 ALA A 60 -2.285 -7.976 -6.412 1.00 0.42 H new ATOM 0 HB2 ALA A 60 -2.531 -9.402 -5.376 1.00 0.42 H new ATOM 0 HB3 ALA A 60 -3.842 -8.839 -6.440 1.00 0.42 H new ATOM 940 N LYS A 61 -5.472 -6.571 -5.686 1.00 0.31 N ATOM 941 CA LYS A 61 -6.210 -5.403 -6.232 1.00 0.35 C ATOM 942 C LYS A 61 -6.428 -4.421 -5.099 1.00 0.39 C ATOM 943 O LYS A 61 -6.547 -3.228 -5.296 1.00 0.46 O ATOM 944 CB LYS A 61 -7.539 -5.962 -6.738 1.00 0.47 C ATOM 945 CG LYS A 61 -7.280 -6.904 -7.912 1.00 0.78 C ATOM 946 CD LYS A 61 -8.210 -8.110 -7.797 1.00 1.35 C ATOM 947 CE LYS A 61 -9.622 -7.701 -8.215 1.00 1.53 C ATOM 948 NZ LYS A 61 -9.776 -8.211 -9.606 1.00 1.90 N ATOM 0 H LYS A 61 -5.987 -7.451 -5.671 1.00 0.31 H new ATOM 0 HA LYS A 61 -5.681 -4.888 -7.034 1.00 0.35 H new ATOM 0 HB2 LYS A 61 -8.051 -6.495 -5.936 1.00 0.47 H new ATOM 0 HB3 LYS A 61 -8.194 -5.148 -7.049 1.00 0.47 H new ATOM 0 HG2 LYS A 61 -7.451 -6.385 -8.855 1.00 0.78 H new ATOM 0 HG3 LYS A 61 -6.240 -7.229 -7.911 1.00 0.78 H new ATOM 0 HD2 LYS A 61 -7.852 -8.922 -8.430 1.00 1.35 H new ATOM 0 HD3 LYS A 61 -8.215 -8.483 -6.773 1.00 1.35 H new ATOM 0 HE2 LYS A 61 -10.371 -8.133 -7.551 1.00 1.53 H new ATOM 0 HE3 LYS A 61 -9.747 -6.619 -8.175 1.00 1.53 H new ATOM 0 HZ1 LYS A 61 -10.722 -7.968 -9.962 1.00 1.90 H new ATOM 0 HZ2 LYS A 61 -9.055 -7.777 -10.217 1.00 1.90 H new ATOM 0 HZ3 LYS A 61 -9.659 -9.244 -9.612 1.00 1.90 H new ATOM 962 N LEU A 62 -6.449 -4.927 -3.902 1.00 0.42 N ATOM 963 CA LEU A 62 -6.622 -4.052 -2.727 1.00 0.52 C ATOM 964 C LEU A 62 -5.340 -3.247 -2.523 1.00 0.49 C ATOM 965 O LEU A 62 -5.372 -2.105 -2.121 1.00 0.59 O ATOM 966 CB LEU A 62 -6.856 -5.019 -1.569 1.00 0.61 C ATOM 967 CG LEU A 62 -6.909 -4.249 -0.248 1.00 0.90 C ATOM 968 CD1 LEU A 62 -7.689 -2.942 -0.428 1.00 1.81 C ATOM 969 CD2 LEU A 62 -7.603 -5.106 0.813 1.00 1.26 C ATOM 0 H LEU A 62 -6.352 -5.920 -3.690 1.00 0.42 H new ATOM 0 HA LEU A 62 -7.441 -3.339 -2.824 1.00 0.52 H new ATOM 0 HB2 LEU A 62 -7.789 -5.562 -1.721 1.00 0.61 H new ATOM 0 HB3 LEU A 62 -6.057 -5.760 -1.536 1.00 0.61 H new ATOM 0 HG LEU A 62 -5.891 -4.018 0.067 1.00 0.90 H new ATOM 0 HD11 LEU A 62 -7.720 -2.403 0.519 1.00 1.81 H new ATOM 0 HD12 LEU A 62 -7.197 -2.326 -1.180 1.00 1.81 H new ATOM 0 HD13 LEU A 62 -8.706 -3.166 -0.751 1.00 1.81 H new ATOM 0 HD21 LEU A 62 -7.641 -4.559 1.755 1.00 1.26 H new ATOM 0 HD22 LEU A 62 -8.617 -5.339 0.487 1.00 1.26 H new ATOM 0 HD23 LEU A 62 -7.046 -6.032 0.954 1.00 1.26 H new ATOM 981 N CYS A 63 -4.210 -3.838 -2.817 1.00 0.42 N ATOM 982 CA CYS A 63 -2.922 -3.106 -2.657 1.00 0.47 C ATOM 983 C CYS A 63 -2.752 -2.097 -3.794 1.00 0.41 C ATOM 984 O CYS A 63 -2.311 -0.984 -3.583 1.00 0.50 O ATOM 985 CB CYS A 63 -1.838 -4.181 -2.724 1.00 0.51 C ATOM 986 SG CYS A 63 -1.264 -4.563 -1.051 1.00 0.85 S ATOM 0 H CYS A 63 -4.126 -4.795 -3.160 1.00 0.42 H new ATOM 0 HA CYS A 63 -2.876 -2.547 -1.722 1.00 0.47 H new ATOM 0 HB2 CYS A 63 -2.231 -5.080 -3.199 1.00 0.51 H new ATOM 0 HB3 CYS A 63 -1.005 -3.835 -3.336 1.00 0.51 H new ATOM 0 HG CYS A 63 -0.504 -5.617 -1.083 1.00 0.85 H new ATOM 992 N HIS A 64 -3.110 -2.462 -4.998 1.00 0.31 N ATOM 993 CA HIS A 64 -2.971 -1.497 -6.124 1.00 0.31 C ATOM 994 C HIS A 64 -3.870 -0.296 -5.853 1.00 0.30 C ATOM 995 O HIS A 64 -3.595 0.811 -6.272 1.00 0.37 O ATOM 996 CB HIS A 64 -3.434 -2.253 -7.369 1.00 0.35 C ATOM 997 CG HIS A 64 -2.964 -1.525 -8.598 1.00 0.53 C ATOM 998 ND1 HIS A 64 -2.909 -2.133 -9.842 1.00 1.26 N ATOM 999 CD2 HIS A 64 -2.523 -0.239 -8.789 1.00 1.27 C ATOM 1000 CE1 HIS A 64 -2.450 -1.222 -10.719 1.00 1.13 C ATOM 1001 NE2 HIS A 64 -2.199 -0.050 -10.130 1.00 1.07 N ATOM 0 H HIS A 64 -3.488 -3.376 -5.247 1.00 0.31 H new ATOM 0 HA HIS A 64 -1.952 -1.130 -6.247 1.00 0.31 H new ATOM 0 HB2 HIS A 64 -3.037 -3.268 -7.360 1.00 0.35 H new ATOM 0 HB3 HIS A 64 -4.521 -2.335 -7.375 1.00 0.35 H new ATOM 0 HD2 HIS A 64 -2.440 0.512 -8.017 1.00 1.27 H new ATOM 0 HE1 HIS A 64 -2.302 -1.415 -11.771 1.00 1.13 H new ATOM 0 HE2 HIS A 64 -1.846 0.801 -10.568 1.00 1.07 H new ATOM 1009 N THR A 65 -4.936 -0.511 -5.138 1.00 0.33 N ATOM 1010 CA THR A 65 -5.851 0.612 -4.816 1.00 0.39 C ATOM 1011 C THR A 65 -5.132 1.579 -3.866 1.00 0.35 C ATOM 1012 O THR A 65 -5.190 2.782 -4.029 1.00 0.39 O ATOM 1013 CB THR A 65 -7.075 -0.061 -4.164 1.00 0.49 C ATOM 1014 OG1 THR A 65 -8.175 0.017 -5.057 1.00 0.98 O ATOM 1015 CG2 THR A 65 -7.448 0.622 -2.845 1.00 0.66 C ATOM 0 H THR A 65 -5.212 -1.418 -4.763 1.00 0.33 H new ATOM 0 HA THR A 65 -6.156 1.202 -5.680 1.00 0.39 H new ATOM 0 HB THR A 65 -6.826 -1.101 -3.952 1.00 0.49 H new ATOM 0 HG1 THR A 65 -8.278 -0.838 -5.525 1.00 0.98 H new ATOM 0 HG21 THR A 65 -8.315 0.124 -2.410 1.00 0.66 H new ATOM 0 HG22 THR A 65 -6.608 0.560 -2.153 1.00 0.66 H new ATOM 0 HG23 THR A 65 -7.687 1.669 -3.032 1.00 0.66 H new ATOM 1023 N LEU A 66 -4.430 1.059 -2.895 1.00 0.33 N ATOM 1024 CA LEU A 66 -3.686 1.947 -1.959 1.00 0.33 C ATOM 1025 C LEU A 66 -2.663 2.746 -2.758 1.00 0.30 C ATOM 1026 O LEU A 66 -2.601 3.954 -2.683 1.00 0.37 O ATOM 1027 CB LEU A 66 -2.969 1.005 -0.988 1.00 0.37 C ATOM 1028 CG LEU A 66 -3.971 0.033 -0.366 1.00 0.55 C ATOM 1029 CD1 LEU A 66 -3.297 -0.732 0.775 1.00 0.95 C ATOM 1030 CD2 LEU A 66 -5.162 0.814 0.182 1.00 1.35 C ATOM 0 H LEU A 66 -4.340 0.060 -2.711 1.00 0.33 H new ATOM 0 HA LEU A 66 -4.336 2.645 -1.432 1.00 0.33 H new ATOM 0 HB2 LEU A 66 -2.191 0.451 -1.514 1.00 0.37 H new ATOM 0 HB3 LEU A 66 -2.476 1.582 -0.206 1.00 0.37 H new ATOM 0 HG LEU A 66 -4.314 -0.671 -1.124 1.00 0.55 H new ATOM 0 HD11 LEU A 66 -4.011 -1.426 1.219 1.00 0.95 H new ATOM 0 HD12 LEU A 66 -2.444 -1.288 0.386 1.00 0.95 H new ATOM 0 HD13 LEU A 66 -2.955 -0.028 1.533 1.00 0.95 H new ATOM 0 HD21 LEU A 66 -5.878 0.122 0.626 1.00 1.35 H new ATOM 0 HD22 LEU A 66 -4.818 1.517 0.941 1.00 1.35 H new ATOM 0 HD23 LEU A 66 -5.642 1.362 -0.629 1.00 1.35 H new ATOM 1042 N GLU A 67 -1.865 2.062 -3.531 1.00 0.25 N ATOM 1043 CA GLU A 67 -0.831 2.749 -4.355 1.00 0.24 C ATOM 1044 C GLU A 67 -1.487 3.659 -5.384 1.00 0.24 C ATOM 1045 O GLU A 67 -0.864 4.556 -5.917 1.00 0.31 O ATOM 1046 CB GLU A 67 -0.073 1.609 -5.043 1.00 0.25 C ATOM 1047 CG GLU A 67 0.664 2.136 -6.279 1.00 0.52 C ATOM 1048 CD GLU A 67 -0.234 1.998 -7.511 1.00 0.94 C ATOM 1049 OE1 GLU A 67 -0.170 0.962 -8.153 1.00 1.64 O ATOM 1050 OE2 GLU A 67 -0.968 2.930 -7.792 1.00 1.58 O ATOM 0 H GLU A 67 -1.886 1.047 -3.628 1.00 0.25 H new ATOM 0 HA GLU A 67 -0.174 3.382 -3.759 1.00 0.24 H new ATOM 0 HB2 GLU A 67 0.639 1.164 -4.348 1.00 0.25 H new ATOM 0 HB3 GLU A 67 -0.769 0.822 -5.333 1.00 0.25 H new ATOM 0 HG2 GLU A 67 0.939 3.180 -6.133 1.00 0.52 H new ATOM 0 HG3 GLU A 67 1.590 1.580 -6.427 1.00 0.52 H new ATOM 1057 N ASN A 68 -2.738 3.453 -5.663 1.00 0.26 N ATOM 1058 CA ASN A 68 -3.410 4.328 -6.650 1.00 0.27 C ATOM 1059 C ASN A 68 -3.482 5.731 -6.084 1.00 0.26 C ATOM 1060 O ASN A 68 -3.188 6.700 -6.751 1.00 0.31 O ATOM 1061 CB ASN A 68 -4.807 3.755 -6.801 1.00 0.31 C ATOM 1062 CG ASN A 68 -5.011 3.259 -8.234 1.00 0.49 C ATOM 1063 OD1 ASN A 68 -6.035 3.513 -8.837 1.00 1.21 O ATOM 1064 ND2 ASN A 68 -4.073 2.558 -8.808 1.00 1.12 N ATOM 0 H ASN A 68 -3.320 2.722 -5.253 1.00 0.26 H new ATOM 0 HA ASN A 68 -2.888 4.371 -7.606 1.00 0.27 H new ATOM 0 HB2 ASN A 68 -4.951 2.934 -6.098 1.00 0.31 H new ATOM 0 HB3 ASN A 68 -5.550 4.515 -6.560 1.00 0.31 H new ATOM 0 HD21 ASN A 68 -4.199 2.223 -9.763 1.00 1.12 H new ATOM 0 HD22 ASN A 68 -3.213 2.345 -8.302 1.00 1.12 H new ATOM 1071 N ILE A 69 -3.852 5.839 -4.841 1.00 0.26 N ATOM 1072 CA ILE A 69 -3.929 7.177 -4.206 1.00 0.29 C ATOM 1073 C ILE A 69 -2.539 7.739 -4.114 1.00 0.28 C ATOM 1074 O ILE A 69 -2.300 8.919 -4.275 1.00 0.34 O ATOM 1075 CB ILE A 69 -4.517 6.921 -2.831 1.00 0.32 C ATOM 1076 CG1 ILE A 69 -6.014 6.722 -2.995 1.00 0.65 C ATOM 1077 CG2 ILE A 69 -4.249 8.119 -1.916 1.00 0.51 C ATOM 1078 CD1 ILE A 69 -6.283 5.392 -3.694 1.00 0.59 C ATOM 0 H ILE A 69 -4.104 5.056 -4.238 1.00 0.26 H new ATOM 0 HA ILE A 69 -4.535 7.893 -4.760 1.00 0.29 H new ATOM 0 HB ILE A 69 -4.062 6.038 -2.382 1.00 0.32 H new ATOM 0 HG12 ILE A 69 -6.501 6.737 -2.020 1.00 0.65 H new ATOM 0 HG13 ILE A 69 -6.438 7.541 -3.576 1.00 0.65 H new ATOM 0 HG21 ILE A 69 -4.674 7.927 -0.931 1.00 0.51 H new ATOM 0 HG22 ILE A 69 -3.174 8.273 -1.823 1.00 0.51 H new ATOM 0 HG23 ILE A 69 -4.708 9.012 -2.341 1.00 0.51 H new ATOM 0 HD11 ILE A 69 -7.358 5.253 -3.810 1.00 0.59 H new ATOM 0 HD12 ILE A 69 -5.810 5.395 -4.676 1.00 0.59 H new ATOM 0 HD13 ILE A 69 -5.874 4.578 -3.096 1.00 0.59 H new ATOM 1090 N LEU A 70 -1.621 6.874 -3.905 1.00 0.26 N ATOM 1091 CA LEU A 70 -0.210 7.304 -3.852 1.00 0.28 C ATOM 1092 C LEU A 70 0.248 7.557 -5.276 1.00 0.29 C ATOM 1093 O LEU A 70 1.282 8.147 -5.519 1.00 0.36 O ATOM 1094 CB LEU A 70 0.561 6.153 -3.204 1.00 0.32 C ATOM 1095 CG LEU A 70 -0.158 5.716 -1.927 1.00 0.36 C ATOM 1096 CD1 LEU A 70 0.757 4.810 -1.106 1.00 0.52 C ATOM 1097 CD2 LEU A 70 -0.533 6.948 -1.098 1.00 0.62 C ATOM 0 H LEU A 70 -1.779 5.876 -3.766 1.00 0.26 H new ATOM 0 HA LEU A 70 -0.054 8.218 -3.278 1.00 0.28 H new ATOM 0 HB2 LEU A 70 0.636 5.315 -3.897 1.00 0.32 H new ATOM 0 HB3 LEU A 70 1.579 6.467 -2.972 1.00 0.32 H new ATOM 0 HG LEU A 70 -1.063 5.171 -2.195 1.00 0.36 H new ATOM 0 HD11 LEU A 70 0.242 4.500 -0.197 1.00 0.52 H new ATOM 0 HD12 LEU A 70 1.019 3.929 -1.693 1.00 0.52 H new ATOM 0 HD13 LEU A 70 1.665 5.353 -0.842 1.00 0.52 H new ATOM 0 HD21 LEU A 70 -1.045 6.633 -0.189 1.00 0.62 H new ATOM 0 HD22 LEU A 70 0.371 7.497 -0.834 1.00 0.62 H new ATOM 0 HD23 LEU A 70 -1.192 7.592 -1.681 1.00 0.62 H new ATOM 1109 N ASP A 71 -0.549 7.150 -6.225 1.00 0.26 N ATOM 1110 CA ASP A 71 -0.189 7.410 -7.633 1.00 0.30 C ATOM 1111 C ASP A 71 -0.617 8.828 -7.966 1.00 0.33 C ATOM 1112 O ASP A 71 0.170 9.632 -8.420 1.00 0.42 O ATOM 1113 CB ASP A 71 -0.961 6.382 -8.461 1.00 0.32 C ATOM 1114 CG ASP A 71 -0.410 6.358 -9.888 1.00 0.61 C ATOM 1115 OD1 ASP A 71 -0.105 7.421 -10.402 1.00 1.25 O ATOM 1116 OD2 ASP A 71 -0.304 5.277 -10.442 1.00 1.40 O ATOM 0 H ASP A 71 -1.427 6.652 -6.081 1.00 0.26 H new ATOM 0 HA ASP A 71 0.879 7.321 -7.833 1.00 0.30 H new ATOM 0 HB2 ASP A 71 -0.872 5.394 -8.009 1.00 0.32 H new ATOM 0 HB3 ASP A 71 -2.022 6.632 -8.474 1.00 0.32 H new ATOM 1121 N LYS A 72 -1.850 9.170 -7.713 1.00 0.34 N ATOM 1122 CA LYS A 72 -2.264 10.555 -7.989 1.00 0.40 C ATOM 1123 C LYS A 72 -1.482 11.488 -7.084 1.00 0.39 C ATOM 1124 O LYS A 72 -1.141 12.597 -7.444 1.00 0.49 O ATOM 1125 CB LYS A 72 -3.724 10.546 -7.648 1.00 0.47 C ATOM 1126 CG LYS A 72 -4.433 9.683 -8.674 1.00 1.03 C ATOM 1127 CD LYS A 72 -5.717 9.152 -8.074 1.00 1.12 C ATOM 1128 CE LYS A 72 -5.449 8.492 -6.729 1.00 1.76 C ATOM 1129 NZ LYS A 72 -6.151 7.181 -6.805 1.00 2.29 N ATOM 0 H LYS A 72 -2.571 8.556 -7.334 1.00 0.34 H new ATOM 0 HA LYS A 72 -2.085 10.890 -9.011 1.00 0.40 H new ATOM 0 HB2 LYS A 72 -3.880 10.152 -6.644 1.00 0.47 H new ATOM 0 HB3 LYS A 72 -4.125 11.559 -7.658 1.00 0.47 H new ATOM 0 HG2 LYS A 72 -4.649 10.265 -9.570 1.00 1.03 H new ATOM 0 HG3 LYS A 72 -3.791 8.857 -8.978 1.00 1.03 H new ATOM 0 HD2 LYS A 72 -6.430 9.967 -7.949 1.00 1.12 H new ATOM 0 HD3 LYS A 72 -6.172 8.432 -8.754 1.00 1.12 H new ATOM 0 HE2 LYS A 72 -4.381 8.360 -6.559 1.00 1.76 H new ATOM 0 HE3 LYS A 72 -5.830 9.098 -5.907 1.00 1.76 H new ATOM 0 HZ1 LYS A 72 -6.311 6.816 -5.844 1.00 2.29 H new ATOM 0 HZ2 LYS A 72 -7.065 7.304 -7.285 1.00 2.29 H new ATOM 0 HZ3 LYS A 72 -5.568 6.505 -7.339 1.00 2.29 H new ATOM 1143 N ALA A 73 -1.166 11.018 -5.920 1.00 0.32 N ATOM 1144 CA ALA A 73 -0.367 11.835 -4.983 1.00 0.36 C ATOM 1145 C ALA A 73 0.940 12.190 -5.675 1.00 0.42 C ATOM 1146 O ALA A 73 1.453 13.283 -5.546 1.00 0.52 O ATOM 1147 CB ALA A 73 -0.126 10.928 -3.782 1.00 0.37 C ATOM 0 H ALA A 73 -1.429 10.095 -5.575 1.00 0.32 H new ATOM 0 HA ALA A 73 -0.851 12.763 -4.678 1.00 0.36 H new ATOM 0 HB1 ALA A 73 0.463 11.461 -3.036 1.00 0.37 H new ATOM 0 HB2 ALA A 73 -1.083 10.637 -3.348 1.00 0.37 H new ATOM 0 HB3 ALA A 73 0.414 10.037 -4.102 1.00 0.37 H new ATOM 1153 N ARG A 74 1.460 11.273 -6.447 1.00 0.41 N ATOM 1154 CA ARG A 74 2.712 11.566 -7.189 1.00 0.52 C ATOM 1155 C ARG A 74 2.338 12.127 -8.559 1.00 0.57 C ATOM 1156 O ARG A 74 3.116 12.798 -9.208 1.00 0.69 O ATOM 1157 CB ARG A 74 3.458 10.233 -7.311 1.00 0.55 C ATOM 1158 CG ARG A 74 2.694 9.289 -8.237 1.00 0.89 C ATOM 1159 CD ARG A 74 3.660 8.258 -8.828 1.00 0.84 C ATOM 1160 NE ARG A 74 3.685 8.550 -10.289 1.00 1.39 N ATOM 1161 CZ ARG A 74 4.643 8.068 -11.033 1.00 1.43 C ATOM 1162 NH1 ARG A 74 4.809 6.778 -11.128 1.00 1.95 N ATOM 1163 NH2 ARG A 74 5.434 8.878 -11.682 1.00 1.60 N ATOM 0 H ARG A 74 1.072 10.341 -6.593 1.00 0.41 H new ATOM 0 HA ARG A 74 3.343 12.300 -6.688 1.00 0.52 H new ATOM 0 HB2 ARG A 74 4.462 10.403 -7.700 1.00 0.55 H new ATOM 0 HB3 ARG A 74 3.570 9.778 -6.327 1.00 0.55 H new ATOM 0 HG2 ARG A 74 1.901 8.785 -7.685 1.00 0.89 H new ATOM 0 HG3 ARG A 74 2.216 9.855 -9.037 1.00 0.89 H new ATOM 0 HD2 ARG A 74 4.654 8.351 -8.389 1.00 0.84 H new ATOM 0 HD3 ARG A 74 3.320 7.241 -8.634 1.00 0.84 H new ATOM 0 HE ARG A 74 2.954 9.126 -10.707 1.00 1.39 H new ATOM 0 HH11 ARG A 74 4.190 6.145 -10.621 1.00 1.95 H new ATOM 0 HH12 ARG A 74 5.558 6.402 -11.710 1.00 1.95 H new ATOM 0 HH21 ARG A 74 5.303 9.887 -11.608 1.00 1.60 H new ATOM 0 HH22 ARG A 74 6.183 8.502 -12.264 1.00 1.60 H new ATOM 1177 N ASN A 75 1.127 11.873 -8.986 1.00 0.52 N ATOM 1178 CA ASN A 75 0.664 12.407 -10.297 1.00 0.62 C ATOM 1179 C ASN A 75 0.160 13.839 -10.103 1.00 0.69 C ATOM 1180 O ASN A 75 -0.151 14.533 -11.051 1.00 0.96 O ATOM 1181 CB ASN A 75 -0.478 11.486 -10.728 1.00 0.59 C ATOM 1182 CG ASN A 75 -0.503 11.382 -12.254 1.00 0.82 C ATOM 1183 OD1 ASN A 75 0.180 10.558 -12.829 1.00 1.59 O ATOM 1184 ND2 ASN A 75 -1.266 12.190 -12.938 1.00 1.31 N ATOM 0 H ASN A 75 0.439 11.316 -8.479 1.00 0.52 H new ATOM 0 HA ASN A 75 1.455 12.433 -11.046 1.00 0.62 H new ATOM 0 HB2 ASN A 75 -0.348 10.497 -10.288 1.00 0.59 H new ATOM 0 HB3 ASN A 75 -1.429 11.874 -10.364 1.00 0.59 H new ATOM 0 HD21 ASN A 75 -1.289 12.130 -13.956 1.00 1.31 H new ATOM 0 HD22 ASN A 75 -1.839 12.882 -12.455 1.00 1.31 H new ATOM 1191 N SER A 76 0.094 14.279 -8.867 1.00 0.63 N ATOM 1192 CA SER A 76 -0.367 15.665 -8.555 1.00 0.74 C ATOM 1193 C SER A 76 -1.893 15.782 -8.609 1.00 0.72 C ATOM 1194 O SER A 76 -2.419 16.857 -8.823 1.00 0.80 O ATOM 1195 CB SER A 76 0.277 16.569 -9.610 1.00 0.87 C ATOM 1196 OG SER A 76 0.436 17.876 -9.073 1.00 1.42 O ATOM 0 H SER A 76 0.345 13.723 -8.049 1.00 0.63 H new ATOM 0 HA SER A 76 -0.077 15.948 -7.543 1.00 0.74 H new ATOM 0 HB2 SER A 76 1.244 16.166 -9.910 1.00 0.87 H new ATOM 0 HB3 SER A 76 -0.345 16.604 -10.505 1.00 0.87 H new ATOM 0 HG SER A 76 0.849 18.458 -9.745 1.00 1.42 H new ATOM 1202 N GLU A 77 -2.625 14.714 -8.403 1.00 0.67 N ATOM 1203 CA GLU A 77 -4.105 14.856 -8.438 1.00 0.72 C ATOM 1204 C GLU A 77 -4.668 14.770 -7.021 1.00 0.74 C ATOM 1205 O GLU A 77 -5.775 15.196 -6.758 1.00 0.83 O ATOM 1206 CB GLU A 77 -4.629 13.723 -9.326 1.00 0.69 C ATOM 1207 CG GLU A 77 -3.683 13.509 -10.513 1.00 1.02 C ATOM 1208 CD GLU A 77 -4.488 13.520 -11.814 1.00 1.53 C ATOM 1209 OE1 GLU A 77 -5.326 12.648 -11.977 1.00 2.12 O ATOM 1210 OE2 GLU A 77 -4.253 14.400 -12.625 1.00 2.09 O ATOM 0 H GLU A 77 -2.270 13.776 -8.217 1.00 0.67 H new ATOM 0 HA GLU A 77 -4.413 15.821 -8.840 1.00 0.72 H new ATOM 0 HB2 GLU A 77 -4.712 12.804 -8.746 1.00 0.69 H new ATOM 0 HB3 GLU A 77 -5.629 13.964 -9.686 1.00 0.69 H new ATOM 0 HG2 GLU A 77 -2.926 14.293 -10.534 1.00 1.02 H new ATOM 0 HG3 GLU A 77 -3.157 12.560 -10.406 1.00 1.02 H new ATOM 1217 N ILE A 78 -3.908 14.248 -6.100 1.00 0.71 N ATOM 1218 CA ILE A 78 -4.405 14.169 -4.692 1.00 0.75 C ATOM 1219 C ILE A 78 -3.240 14.067 -3.709 1.00 0.71 C ATOM 1220 O ILE A 78 -2.097 14.295 -4.050 1.00 0.97 O ATOM 1221 CB ILE A 78 -5.252 12.903 -4.623 1.00 0.75 C ATOM 1222 CG1 ILE A 78 -4.422 11.714 -5.082 1.00 0.67 C ATOM 1223 CG2 ILE A 78 -6.476 13.046 -5.528 1.00 0.92 C ATOM 1224 CD1 ILE A 78 -3.859 10.980 -3.866 1.00 0.55 C ATOM 0 H ILE A 78 -2.972 13.875 -6.255 1.00 0.71 H new ATOM 0 HA ILE A 78 -4.974 15.060 -4.425 1.00 0.75 H new ATOM 0 HB ILE A 78 -5.581 12.748 -3.596 1.00 0.75 H new ATOM 0 HG12 ILE A 78 -5.036 11.037 -5.676 1.00 0.67 H new ATOM 0 HG13 ILE A 78 -3.608 12.052 -5.724 1.00 0.67 H new ATOM 0 HG21 ILE A 78 -7.077 12.138 -5.474 1.00 0.92 H new ATOM 0 HG22 ILE A 78 -7.074 13.896 -5.200 1.00 0.92 H new ATOM 0 HG23 ILE A 78 -6.152 13.206 -6.556 1.00 0.92 H new ATOM 0 HD11 ILE A 78 -3.265 10.129 -4.198 1.00 0.55 H new ATOM 0 HD12 ILE A 78 -3.230 11.659 -3.290 1.00 0.55 H new ATOM 0 HD13 ILE A 78 -4.680 10.628 -3.241 1.00 0.55 H new ATOM 1236 N LYS A 79 -3.533 13.725 -2.485 1.00 0.69 N ATOM 1237 CA LYS A 79 -2.468 13.596 -1.461 1.00 0.72 C ATOM 1238 C LYS A 79 -3.054 13.001 -0.180 1.00 0.73 C ATOM 1239 O LYS A 79 -4.249 12.810 -0.066 1.00 1.02 O ATOM 1240 CB LYS A 79 -1.943 15.016 -1.224 1.00 0.85 C ATOM 1241 CG LYS A 79 -3.081 16.042 -1.321 1.00 1.31 C ATOM 1242 CD LYS A 79 -4.013 15.897 -0.118 1.00 1.97 C ATOM 1243 CE LYS A 79 -3.232 16.167 1.171 1.00 2.59 C ATOM 1244 NZ LYS A 79 -3.815 17.424 1.722 1.00 3.55 N ATOM 0 H LYS A 79 -4.476 13.528 -2.151 1.00 0.69 H new ATOM 0 HA LYS A 79 -1.664 12.934 -1.781 1.00 0.72 H new ATOM 0 HB2 LYS A 79 -1.476 15.076 -0.241 1.00 0.85 H new ATOM 0 HB3 LYS A 79 -1.172 15.251 -1.958 1.00 0.85 H new ATOM 0 HG2 LYS A 79 -2.671 17.051 -1.355 1.00 1.31 H new ATOM 0 HG3 LYS A 79 -3.639 15.893 -2.245 1.00 1.31 H new ATOM 0 HD2 LYS A 79 -4.846 16.595 -0.204 1.00 1.97 H new ATOM 0 HD3 LYS A 79 -4.439 14.894 -0.094 1.00 1.97 H new ATOM 0 HE2 LYS A 79 -3.337 15.342 1.876 1.00 2.59 H new ATOM 0 HE3 LYS A 79 -2.167 16.281 0.970 1.00 2.59 H new ATOM 0 HZ1 LYS A 79 -3.049 18.050 2.043 1.00 3.55 H new ATOM 0 HZ2 LYS A 79 -4.368 17.903 0.983 1.00 3.55 H new ATOM 0 HZ3 LYS A 79 -4.435 17.196 2.525 1.00 3.55 H new ATOM 1258 N ILE A 80 -2.229 12.689 0.780 1.00 0.52 N ATOM 1259 CA ILE A 80 -2.758 12.092 2.036 1.00 0.54 C ATOM 1260 C ILE A 80 -3.416 13.160 2.896 1.00 0.56 C ATOM 1261 O ILE A 80 -2.781 13.868 3.651 1.00 0.75 O ATOM 1262 CB ILE A 80 -1.550 11.506 2.734 1.00 0.66 C ATOM 1263 CG1 ILE A 80 -1.144 10.222 2.018 1.00 0.54 C ATOM 1264 CG2 ILE A 80 -1.891 11.197 4.192 1.00 1.26 C ATOM 1265 CD1 ILE A 80 -0.632 10.556 0.616 1.00 0.51 C ATOM 0 H ILE A 80 -1.218 12.821 0.750 1.00 0.52 H new ATOM 0 HA ILE A 80 -3.519 11.336 1.843 1.00 0.54 H new ATOM 0 HB ILE A 80 -0.728 12.221 2.709 1.00 0.66 H new ATOM 0 HG12 ILE A 80 -0.369 9.707 2.586 1.00 0.54 H new ATOM 0 HG13 ILE A 80 -1.996 9.545 1.953 1.00 0.54 H new ATOM 0 HG21 ILE A 80 -1.017 10.775 4.689 1.00 1.26 H new ATOM 0 HG22 ILE A 80 -2.189 12.115 4.699 1.00 1.26 H new ATOM 0 HG23 ILE A 80 -2.711 10.480 4.230 1.00 1.26 H new ATOM 0 HD11 ILE A 80 -0.342 9.637 0.106 1.00 0.51 H new ATOM 0 HD12 ILE A 80 -1.420 11.053 0.050 1.00 0.51 H new ATOM 0 HD13 ILE A 80 0.232 11.217 0.692 1.00 0.51 H new ATOM 1277 N THR A 81 -4.695 13.254 2.776 1.00 0.50 N ATOM 1278 CA THR A 81 -5.472 14.252 3.567 1.00 0.61 C ATOM 1279 C THR A 81 -5.836 13.671 4.934 1.00 0.64 C ATOM 1280 O THR A 81 -6.746 14.139 5.591 1.00 0.75 O ATOM 1281 CB THR A 81 -6.744 14.484 2.750 1.00 0.66 C ATOM 1282 OG1 THR A 81 -7.420 13.246 2.574 1.00 1.37 O ATOM 1283 CG2 THR A 81 -6.382 15.064 1.385 1.00 1.19 C ATOM 0 H THR A 81 -5.257 12.674 2.153 1.00 0.50 H new ATOM 0 HA THR A 81 -4.911 15.170 3.741 1.00 0.61 H new ATOM 0 HB THR A 81 -7.391 15.185 3.278 1.00 0.66 H new ATOM 0 HG1 THR A 81 -8.359 13.415 2.348 1.00 1.37 H new ATOM 0 HG21 THR A 81 -7.291 15.228 0.806 1.00 1.19 H new ATOM 0 HG22 THR A 81 -5.862 16.012 1.519 1.00 1.19 H new ATOM 0 HG23 THR A 81 -5.734 14.367 0.854 1.00 1.19 H new ATOM 1291 N SER A 82 -5.154 12.631 5.350 1.00 0.60 N ATOM 1292 CA SER A 82 -5.470 11.978 6.661 1.00 0.67 C ATOM 1293 C SER A 82 -6.739 11.130 6.520 1.00 0.67 C ATOM 1294 O SER A 82 -7.095 10.373 7.402 1.00 0.94 O ATOM 1295 CB SER A 82 -5.692 13.112 7.659 1.00 0.80 C ATOM 1296 OG SER A 82 -4.891 12.889 8.811 1.00 1.32 O ATOM 0 H SER A 82 -4.386 12.203 4.834 1.00 0.60 H new ATOM 0 HA SER A 82 -4.667 11.319 6.991 1.00 0.67 H new ATOM 0 HB2 SER A 82 -5.435 14.068 7.203 1.00 0.80 H new ATOM 0 HB3 SER A 82 -6.744 13.165 7.939 1.00 0.80 H new ATOM 0 HG SER A 82 -5.031 13.617 9.452 1.00 1.32 H new ATOM 1302 N ASP A 83 -7.409 11.240 5.405 1.00 0.62 N ATOM 1303 CA ASP A 83 -8.638 10.442 5.175 1.00 0.63 C ATOM 1304 C ASP A 83 -8.378 9.488 4.016 1.00 0.54 C ATOM 1305 O ASP A 83 -8.663 8.310 4.088 1.00 0.53 O ATOM 1306 CB ASP A 83 -9.711 11.461 4.802 1.00 0.75 C ATOM 1307 CG ASP A 83 -11.032 11.086 5.475 1.00 1.15 C ATOM 1308 OD1 ASP A 83 -11.237 9.907 5.713 1.00 1.81 O ATOM 1309 OD2 ASP A 83 -11.814 11.983 5.740 1.00 1.80 O ATOM 0 H ASP A 83 -7.150 11.858 4.636 1.00 0.62 H new ATOM 0 HA ASP A 83 -8.939 9.852 6.041 1.00 0.63 H new ATOM 0 HB2 ASP A 83 -9.403 12.459 5.114 1.00 0.75 H new ATOM 0 HB3 ASP A 83 -9.838 11.490 3.720 1.00 0.75 H new ATOM 1314 N LEU A 84 -7.801 9.985 2.955 1.00 0.52 N ATOM 1315 CA LEU A 84 -7.489 9.095 1.808 1.00 0.48 C ATOM 1316 C LEU A 84 -6.454 8.078 2.269 1.00 0.40 C ATOM 1317 O LEU A 84 -6.392 6.967 1.785 1.00 0.40 O ATOM 1318 CB LEU A 84 -6.911 10.012 0.729 1.00 0.57 C ATOM 1319 CG LEU A 84 -7.972 11.028 0.302 1.00 0.92 C ATOM 1320 CD1 LEU A 84 -7.467 11.814 -0.910 1.00 1.27 C ATOM 1321 CD2 LEU A 84 -9.261 10.291 -0.070 1.00 1.33 C ATOM 0 H LEU A 84 -7.535 10.963 2.836 1.00 0.52 H new ATOM 0 HA LEU A 84 -8.355 8.552 1.430 1.00 0.48 H new ATOM 0 HB2 LEU A 84 -6.030 10.528 1.109 1.00 0.57 H new ATOM 0 HB3 LEU A 84 -6.589 9.423 -0.130 1.00 0.57 H new ATOM 0 HG LEU A 84 -8.169 11.716 1.124 1.00 0.92 H new ATOM 0 HD11 LEU A 84 -8.223 12.538 -1.215 1.00 1.27 H new ATOM 0 HD12 LEU A 84 -6.548 12.338 -0.647 1.00 1.27 H new ATOM 0 HD13 LEU A 84 -7.270 11.127 -1.733 1.00 1.27 H new ATOM 0 HD21 LEU A 84 -10.018 11.013 -0.375 1.00 1.33 H new ATOM 0 HD22 LEU A 84 -9.063 9.604 -0.893 1.00 1.33 H new ATOM 0 HD23 LEU A 84 -9.621 9.730 0.792 1.00 1.33 H new ATOM 1333 N LEU A 85 -5.652 8.456 3.226 1.00 0.44 N ATOM 1334 CA LEU A 85 -4.625 7.518 3.752 1.00 0.48 C ATOM 1335 C LEU A 85 -5.271 6.602 4.802 1.00 0.49 C ATOM 1336 O LEU A 85 -4.954 5.434 4.904 1.00 0.56 O ATOM 1337 CB LEU A 85 -3.533 8.428 4.350 1.00 0.64 C ATOM 1338 CG LEU A 85 -3.546 8.381 5.883 1.00 0.98 C ATOM 1339 CD1 LEU A 85 -2.885 7.086 6.361 1.00 1.39 C ATOM 1340 CD2 LEU A 85 -2.774 9.580 6.437 1.00 1.91 C ATOM 0 H LEU A 85 -5.665 9.376 3.666 1.00 0.44 H new ATOM 0 HA LEU A 85 -4.200 6.859 2.995 1.00 0.48 H new ATOM 0 HB2 LEU A 85 -2.555 8.116 3.983 1.00 0.64 H new ATOM 0 HB3 LEU A 85 -3.687 9.453 4.014 1.00 0.64 H new ATOM 0 HG LEU A 85 -4.576 8.416 6.237 1.00 0.98 H new ATOM 0 HD11 LEU A 85 -2.895 7.053 7.450 1.00 1.39 H new ATOM 0 HD12 LEU A 85 -3.434 6.231 5.967 1.00 1.39 H new ATOM 0 HD13 LEU A 85 -1.855 7.051 6.006 1.00 1.39 H new ATOM 0 HD21 LEU A 85 -2.783 9.547 7.526 1.00 1.91 H new ATOM 0 HD22 LEU A 85 -1.744 9.545 6.082 1.00 1.91 H new ATOM 0 HD23 LEU A 85 -3.244 10.503 6.098 1.00 1.91 H new ATOM 1352 N ASP A 86 -6.184 7.129 5.576 1.00 0.52 N ATOM 1353 CA ASP A 86 -6.859 6.293 6.611 1.00 0.60 C ATOM 1354 C ASP A 86 -7.676 5.193 5.933 1.00 0.55 C ATOM 1355 O ASP A 86 -7.917 4.145 6.500 1.00 0.62 O ATOM 1356 CB ASP A 86 -7.772 7.256 7.370 1.00 0.71 C ATOM 1357 CG ASP A 86 -8.279 6.581 8.647 1.00 1.15 C ATOM 1358 OD1 ASP A 86 -9.101 5.686 8.535 1.00 1.82 O ATOM 1359 OD2 ASP A 86 -7.836 6.970 9.715 1.00 1.82 O ATOM 0 H ASP A 86 -6.491 8.101 5.536 1.00 0.52 H new ATOM 0 HA ASP A 86 -6.151 5.802 7.279 1.00 0.60 H new ATOM 0 HB2 ASP A 86 -7.229 8.168 7.619 1.00 0.71 H new ATOM 0 HB3 ASP A 86 -8.614 7.547 6.741 1.00 0.71 H new ATOM 1364 N LYS A 87 -8.079 5.411 4.712 1.00 0.48 N ATOM 1365 CA LYS A 87 -8.851 4.364 3.991 1.00 0.48 C ATOM 1366 C LYS A 87 -7.857 3.431 3.326 1.00 0.40 C ATOM 1367 O LYS A 87 -8.010 2.226 3.331 1.00 0.44 O ATOM 1368 CB LYS A 87 -9.688 5.112 2.950 1.00 0.56 C ATOM 1369 CG LYS A 87 -10.704 6.018 3.654 1.00 0.65 C ATOM 1370 CD LYS A 87 -11.351 5.264 4.818 1.00 0.73 C ATOM 1371 CE LYS A 87 -12.799 5.730 4.985 1.00 1.30 C ATOM 1372 NZ LYS A 87 -13.044 5.702 6.453 1.00 1.67 N ATOM 0 H LYS A 87 -7.907 6.267 4.184 1.00 0.48 H new ATOM 0 HA LYS A 87 -9.495 3.772 4.641 1.00 0.48 H new ATOM 0 HB2 LYS A 87 -9.039 5.708 2.308 1.00 0.56 H new ATOM 0 HB3 LYS A 87 -10.206 4.400 2.307 1.00 0.56 H new ATOM 0 HG2 LYS A 87 -10.210 6.918 4.021 1.00 0.65 H new ATOM 0 HG3 LYS A 87 -11.469 6.340 2.947 1.00 0.65 H new ATOM 0 HD2 LYS A 87 -11.322 4.191 4.631 1.00 0.73 H new ATOM 0 HD3 LYS A 87 -10.792 5.442 5.737 1.00 0.73 H new ATOM 0 HE2 LYS A 87 -12.941 6.732 4.580 1.00 1.30 H new ATOM 0 HE3 LYS A 87 -13.489 5.072 4.457 1.00 1.30 H new ATOM 0 HZ1 LYS A 87 -14.018 6.009 6.648 1.00 1.67 H new ATOM 0 HZ2 LYS A 87 -12.908 4.734 6.809 1.00 1.67 H new ATOM 0 HZ3 LYS A 87 -12.377 6.343 6.929 1.00 1.67 H new ATOM 1386 N ILE A 88 -6.811 3.984 2.786 1.00 0.34 N ATOM 1387 CA ILE A 88 -5.776 3.134 2.160 1.00 0.36 C ATOM 1388 C ILE A 88 -5.122 2.299 3.260 1.00 0.33 C ATOM 1389 O ILE A 88 -4.762 1.155 3.064 1.00 0.36 O ATOM 1390 CB ILE A 88 -4.775 4.110 1.548 1.00 0.41 C ATOM 1391 CG1 ILE A 88 -5.354 4.704 0.265 1.00 0.61 C ATOM 1392 CG2 ILE A 88 -3.474 3.382 1.235 1.00 0.70 C ATOM 1393 CD1 ILE A 88 -4.741 6.085 0.036 1.00 0.58 C ATOM 0 H ILE A 88 -6.631 4.987 2.753 1.00 0.34 H new ATOM 0 HA ILE A 88 -6.167 2.453 1.404 1.00 0.36 H new ATOM 0 HB ILE A 88 -4.576 4.913 2.258 1.00 0.41 H new ATOM 0 HG12 ILE A 88 -5.140 4.052 -0.582 1.00 0.61 H new ATOM 0 HG13 ILE A 88 -6.439 4.781 0.342 1.00 0.61 H new ATOM 0 HG21 ILE A 88 -2.762 4.082 0.798 1.00 0.70 H new ATOM 0 HG22 ILE A 88 -3.059 2.968 2.154 1.00 0.70 H new ATOM 0 HG23 ILE A 88 -3.669 2.575 0.529 1.00 0.70 H new ATOM 0 HD11 ILE A 88 -5.149 6.517 -0.878 1.00 0.58 H new ATOM 0 HD12 ILE A 88 -4.978 6.733 0.880 1.00 0.58 H new ATOM 0 HD13 ILE A 88 -3.659 5.992 -0.058 1.00 0.58 H new ATOM 1405 N PHE A 89 -4.994 2.866 4.433 1.00 0.36 N ATOM 1406 CA PHE A 89 -4.395 2.109 5.566 1.00 0.38 C ATOM 1407 C PHE A 89 -5.397 1.072 6.048 1.00 0.36 C ATOM 1408 O PHE A 89 -5.047 0.040 6.586 1.00 0.38 O ATOM 1409 CB PHE A 89 -4.116 3.150 6.651 1.00 0.43 C ATOM 1410 CG PHE A 89 -3.638 2.453 7.901 1.00 0.60 C ATOM 1411 CD1 PHE A 89 -2.279 2.158 8.061 1.00 0.99 C ATOM 1412 CD2 PHE A 89 -4.553 2.101 8.900 1.00 1.02 C ATOM 1413 CE1 PHE A 89 -1.834 1.509 9.220 1.00 1.34 C ATOM 1414 CE2 PHE A 89 -4.109 1.452 10.059 1.00 1.35 C ATOM 1415 CZ PHE A 89 -2.750 1.156 10.219 1.00 1.41 C ATOM 0 H PHE A 89 -5.279 3.821 4.652 1.00 0.36 H new ATOM 0 HA PHE A 89 -3.482 1.582 5.290 1.00 0.38 H new ATOM 0 HB2 PHE A 89 -3.363 3.859 6.306 1.00 0.43 H new ATOM 0 HB3 PHE A 89 -5.019 3.722 6.863 1.00 0.43 H new ATOM 0 HD1 PHE A 89 -1.573 2.431 7.290 1.00 0.99 H new ATOM 0 HD2 PHE A 89 -5.601 2.330 8.777 1.00 1.02 H new ATOM 0 HE1 PHE A 89 -0.786 1.281 9.343 1.00 1.34 H new ATOM 0 HE2 PHE A 89 -4.815 1.180 10.829 1.00 1.35 H new ATOM 0 HZ PHE A 89 -2.408 0.655 11.113 1.00 1.41 H new ATOM 1425 N ALA A 90 -6.644 1.335 5.816 1.00 0.38 N ATOM 1426 CA ALA A 90 -7.700 0.367 6.206 1.00 0.40 C ATOM 1427 C ALA A 90 -7.656 -0.778 5.207 1.00 0.36 C ATOM 1428 O ALA A 90 -7.950 -1.915 5.520 1.00 0.37 O ATOM 1429 CB ALA A 90 -9.019 1.134 6.102 1.00 0.45 C ATOM 0 H ALA A 90 -6.983 2.187 5.369 1.00 0.38 H new ATOM 0 HA ALA A 90 -7.576 -0.040 7.210 1.00 0.40 H new ATOM 0 HB1 ALA A 90 -9.844 0.477 6.377 1.00 0.45 H new ATOM 0 HB2 ALA A 90 -8.996 1.990 6.776 1.00 0.45 H new ATOM 0 HB3 ALA A 90 -9.158 1.482 5.078 1.00 0.45 H new ATOM 1435 N GLY A 91 -7.246 -0.476 4.004 1.00 0.35 N ATOM 1436 CA GLY A 91 -7.128 -1.533 2.971 1.00 0.35 C ATOM 1437 C GLY A 91 -5.962 -2.430 3.369 1.00 0.34 C ATOM 1438 O GLY A 91 -6.065 -3.641 3.383 1.00 0.36 O ATOM 0 H GLY A 91 -6.988 0.462 3.696 1.00 0.35 H new ATOM 0 HA2 GLY A 91 -8.051 -2.110 2.904 1.00 0.35 H new ATOM 0 HA3 GLY A 91 -6.956 -1.093 1.989 1.00 0.35 H new ATOM 1442 N VAL A 92 -4.858 -1.832 3.731 1.00 0.35 N ATOM 1443 CA VAL A 92 -3.687 -2.631 4.173 1.00 0.39 C ATOM 1444 C VAL A 92 -4.069 -3.382 5.450 1.00 0.37 C ATOM 1445 O VAL A 92 -3.516 -4.415 5.772 1.00 0.41 O ATOM 1446 CB VAL A 92 -2.591 -1.595 4.444 1.00 0.44 C ATOM 1447 CG1 VAL A 92 -1.580 -2.147 5.453 1.00 0.48 C ATOM 1448 CG2 VAL A 92 -1.869 -1.266 3.135 1.00 0.49 C ATOM 0 H VAL A 92 -4.720 -0.821 3.738 1.00 0.35 H new ATOM 0 HA VAL A 92 -3.357 -3.370 3.443 1.00 0.39 H new ATOM 0 HB VAL A 92 -3.048 -0.694 4.853 1.00 0.44 H new ATOM 0 HG11 VAL A 92 -0.806 -1.402 5.637 1.00 0.48 H new ATOM 0 HG12 VAL A 92 -2.089 -2.380 6.388 1.00 0.48 H new ATOM 0 HG13 VAL A 92 -1.124 -3.052 5.053 1.00 0.48 H new ATOM 0 HG21 VAL A 92 -1.089 -0.529 3.325 1.00 0.49 H new ATOM 0 HG22 VAL A 92 -1.421 -2.173 2.729 1.00 0.49 H new ATOM 0 HG23 VAL A 92 -2.583 -0.862 2.417 1.00 0.49 H new ATOM 1458 N ASP A 93 -5.035 -2.867 6.164 1.00 0.34 N ATOM 1459 CA ASP A 93 -5.492 -3.537 7.412 1.00 0.36 C ATOM 1460 C ASP A 93 -6.245 -4.811 7.040 1.00 0.32 C ATOM 1461 O ASP A 93 -6.068 -5.850 7.642 1.00 0.34 O ATOM 1462 CB ASP A 93 -6.424 -2.529 8.088 1.00 0.41 C ATOM 1463 CG ASP A 93 -6.066 -2.418 9.572 1.00 0.68 C ATOM 1464 OD1 ASP A 93 -6.177 -3.417 10.264 1.00 1.48 O ATOM 1465 OD2 ASP A 93 -5.690 -1.337 9.992 1.00 1.18 O ATOM 0 H ASP A 93 -5.529 -2.005 5.933 1.00 0.34 H new ATOM 0 HA ASP A 93 -4.672 -3.819 8.072 1.00 0.36 H new ATOM 0 HB2 ASP A 93 -6.334 -1.555 7.607 1.00 0.41 H new ATOM 0 HB3 ASP A 93 -7.461 -2.845 7.976 1.00 0.41 H new ATOM 1470 N MET A 94 -7.062 -4.741 6.024 1.00 0.34 N ATOM 1471 CA MET A 94 -7.798 -5.955 5.582 1.00 0.34 C ATOM 1472 C MET A 94 -6.809 -6.857 4.859 1.00 0.30 C ATOM 1473 O MET A 94 -6.921 -8.067 4.858 1.00 0.31 O ATOM 1474 CB MET A 94 -8.878 -5.448 4.626 1.00 0.44 C ATOM 1475 CG MET A 94 -9.810 -4.493 5.370 1.00 0.75 C ATOM 1476 SD MET A 94 -11.362 -4.331 4.455 1.00 1.08 S ATOM 1477 CE MET A 94 -10.641 -4.252 2.797 1.00 0.65 C ATOM 0 H MET A 94 -7.250 -3.897 5.483 1.00 0.34 H new ATOM 0 HA MET A 94 -8.245 -6.520 6.400 1.00 0.34 H new ATOM 0 HB2 MET A 94 -8.419 -4.938 3.779 1.00 0.44 H new ATOM 0 HB3 MET A 94 -9.446 -6.287 4.224 1.00 0.44 H new ATOM 0 HG2 MET A 94 -10.005 -4.867 6.375 1.00 0.75 H new ATOM 0 HG3 MET A 94 -9.336 -3.517 5.480 1.00 0.75 H new ATOM 0 HE1 MET A 94 -11.398 -3.921 2.086 1.00 0.65 H new ATOM 0 HE2 MET A 94 -9.809 -3.548 2.795 1.00 0.65 H new ATOM 0 HE3 MET A 94 -10.281 -5.240 2.510 1.00 0.65 H new ATOM 1487 N ILE A 95 -5.814 -6.256 4.269 1.00 0.34 N ATOM 1488 CA ILE A 95 -4.768 -7.036 3.565 1.00 0.38 C ATOM 1489 C ILE A 95 -4.001 -7.856 4.605 1.00 0.33 C ATOM 1490 O ILE A 95 -3.656 -9.000 4.384 1.00 0.37 O ATOM 1491 CB ILE A 95 -3.884 -5.963 2.917 1.00 0.50 C ATOM 1492 CG1 ILE A 95 -4.373 -5.683 1.497 1.00 1.20 C ATOM 1493 CG2 ILE A 95 -2.433 -6.427 2.857 1.00 1.38 C ATOM 1494 CD1 ILE A 95 -3.818 -4.335 1.030 1.00 1.25 C ATOM 0 H ILE A 95 -5.683 -5.245 4.246 1.00 0.34 H new ATOM 0 HA ILE A 95 -5.146 -7.737 2.821 1.00 0.38 H new ATOM 0 HB ILE A 95 -3.945 -5.057 3.520 1.00 0.50 H new ATOM 0 HG12 ILE A 95 -4.047 -6.477 0.824 1.00 1.20 H new ATOM 0 HG13 ILE A 95 -5.463 -5.670 1.471 1.00 1.20 H new ATOM 0 HG21 ILE A 95 -1.822 -5.652 2.394 1.00 1.38 H new ATOM 0 HG22 ILE A 95 -2.071 -6.620 3.867 1.00 1.38 H new ATOM 0 HG23 ILE A 95 -2.367 -7.341 2.267 1.00 1.38 H new ATOM 0 HD11 ILE A 95 -4.164 -4.130 0.017 1.00 1.25 H new ATOM 0 HD12 ILE A 95 -4.166 -3.547 1.698 1.00 1.25 H new ATOM 0 HD13 ILE A 95 -2.729 -4.366 1.042 1.00 1.25 H new ATOM 1506 N THR A 96 -3.759 -7.277 5.751 1.00 0.32 N ATOM 1507 CA THR A 96 -3.044 -8.018 6.824 1.00 0.36 C ATOM 1508 C THR A 96 -3.982 -9.081 7.391 1.00 0.36 C ATOM 1509 O THR A 96 -3.590 -10.204 7.646 1.00 0.45 O ATOM 1510 CB THR A 96 -2.714 -6.965 7.883 1.00 0.42 C ATOM 1511 OG1 THR A 96 -1.655 -6.142 7.415 1.00 0.48 O ATOM 1512 CG2 THR A 96 -2.289 -7.657 9.179 1.00 0.54 C ATOM 0 H THR A 96 -4.027 -6.322 5.988 1.00 0.32 H new ATOM 0 HA THR A 96 -2.143 -8.521 6.473 1.00 0.36 H new ATOM 0 HB THR A 96 -3.595 -6.352 8.073 1.00 0.42 H new ATOM 0 HG1 THR A 96 -2.015 -5.453 6.819 1.00 0.48 H new ATOM 0 HG21 THR A 96 -2.054 -6.905 9.933 1.00 0.54 H new ATOM 0 HG22 THR A 96 -3.102 -8.289 9.538 1.00 0.54 H new ATOM 0 HG23 THR A 96 -1.408 -8.271 8.992 1.00 0.54 H new ATOM 1520 N ARG A 97 -5.231 -8.738 7.571 1.00 0.33 N ATOM 1521 CA ARG A 97 -6.205 -9.733 8.096 1.00 0.34 C ATOM 1522 C ARG A 97 -6.315 -10.893 7.109 1.00 0.32 C ATOM 1523 O ARG A 97 -6.437 -12.040 7.491 1.00 0.34 O ATOM 1524 CB ARG A 97 -7.533 -8.981 8.201 1.00 0.39 C ATOM 1525 CG ARG A 97 -7.664 -8.367 9.595 1.00 0.55 C ATOM 1526 CD ARG A 97 -8.095 -6.904 9.473 1.00 1.02 C ATOM 1527 NE ARG A 97 -9.385 -6.819 10.214 1.00 1.40 N ATOM 1528 CZ ARG A 97 -9.433 -6.216 11.371 1.00 2.07 C ATOM 1529 NH1 ARG A 97 -8.721 -5.142 11.579 1.00 2.86 N ATOM 1530 NH2 ARG A 97 -10.195 -6.687 12.320 1.00 2.53 N ATOM 0 H ARG A 97 -5.615 -7.813 7.377 1.00 0.33 H new ATOM 0 HA ARG A 97 -5.909 -10.148 9.060 1.00 0.34 H new ATOM 0 HB2 ARG A 97 -7.582 -8.200 7.442 1.00 0.39 H new ATOM 0 HB3 ARG A 97 -8.364 -9.661 8.012 1.00 0.39 H new ATOM 0 HG2 ARG A 97 -8.394 -8.924 10.182 1.00 0.55 H new ATOM 0 HG3 ARG A 97 -6.713 -8.434 10.124 1.00 0.55 H new ATOM 0 HD2 ARG A 97 -7.349 -6.236 9.902 1.00 1.02 H new ATOM 0 HD3 ARG A 97 -8.219 -6.615 8.429 1.00 1.02 H new ATOM 0 HE ARG A 97 -10.230 -7.231 9.818 1.00 1.40 H new ATOM 0 HH11 ARG A 97 -8.126 -4.773 10.837 1.00 2.86 H new ATOM 0 HH12 ARG A 97 -8.759 -4.672 12.483 1.00 2.86 H new ATOM 0 HH21 ARG A 97 -10.752 -7.526 12.158 1.00 2.53 H new ATOM 0 HH22 ARG A 97 -10.233 -6.217 13.224 1.00 2.53 H new ATOM 1544 N MET A 98 -6.242 -10.603 5.838 1.00 0.35 N ATOM 1545 CA MET A 98 -6.308 -11.686 4.825 1.00 0.39 C ATOM 1546 C MET A 98 -5.042 -12.524 4.950 1.00 0.37 C ATOM 1547 O MET A 98 -5.062 -13.734 4.855 1.00 0.42 O ATOM 1548 CB MET A 98 -6.349 -10.967 3.475 1.00 0.50 C ATOM 1549 CG MET A 98 -7.719 -10.320 3.277 1.00 0.80 C ATOM 1550 SD MET A 98 -7.586 -8.994 2.053 1.00 0.87 S ATOM 1551 CE MET A 98 -8.283 -9.903 0.652 1.00 0.66 C ATOM 0 H MET A 98 -6.139 -9.661 5.461 1.00 0.35 H new ATOM 0 HA MET A 98 -7.168 -12.344 4.944 1.00 0.39 H new ATOM 0 HB2 MET A 98 -5.568 -10.208 3.433 1.00 0.50 H new ATOM 0 HB3 MET A 98 -6.150 -11.674 2.669 1.00 0.50 H new ATOM 0 HG2 MET A 98 -8.441 -11.066 2.944 1.00 0.80 H new ATOM 0 HG3 MET A 98 -8.085 -9.921 4.223 1.00 0.80 H new ATOM 0 HE1 MET A 98 -8.167 -9.314 -0.258 1.00 0.66 H new ATOM 0 HE2 MET A 98 -7.761 -10.853 0.539 1.00 0.66 H new ATOM 0 HE3 MET A 98 -9.342 -10.090 0.830 1.00 0.66 H new ATOM 1561 N VAL A 99 -3.939 -11.870 5.187 1.00 0.36 N ATOM 1562 CA VAL A 99 -2.653 -12.596 5.347 1.00 0.40 C ATOM 1563 C VAL A 99 -2.674 -13.383 6.659 1.00 0.37 C ATOM 1564 O VAL A 99 -2.102 -14.449 6.764 1.00 0.42 O ATOM 1565 CB VAL A 99 -1.594 -11.491 5.383 1.00 0.48 C ATOM 1566 CG1 VAL A 99 -0.324 -12.010 6.064 1.00 0.60 C ATOM 1567 CG2 VAL A 99 -1.262 -11.060 3.953 1.00 0.55 C ATOM 0 H VAL A 99 -3.875 -10.856 5.277 1.00 0.36 H new ATOM 0 HA VAL A 99 -2.459 -13.314 4.550 1.00 0.40 H new ATOM 0 HB VAL A 99 -1.981 -10.640 5.944 1.00 0.48 H new ATOM 0 HG11 VAL A 99 0.426 -11.219 6.087 1.00 0.60 H new ATOM 0 HG12 VAL A 99 -0.558 -12.318 7.083 1.00 0.60 H new ATOM 0 HG13 VAL A 99 0.065 -12.863 5.507 1.00 0.60 H new ATOM 0 HG21 VAL A 99 -0.508 -10.273 3.976 1.00 0.55 H new ATOM 0 HG22 VAL A 99 -0.878 -11.914 3.395 1.00 0.55 H new ATOM 0 HG23 VAL A 99 -2.163 -10.685 3.468 1.00 0.55 H new ATOM 1577 N ASP A 100 -3.340 -12.868 7.659 1.00 0.37 N ATOM 1578 CA ASP A 100 -3.409 -13.593 8.957 1.00 0.42 C ATOM 1579 C ASP A 100 -4.270 -14.840 8.791 1.00 0.41 C ATOM 1580 O ASP A 100 -4.023 -15.864 9.397 1.00 0.46 O ATOM 1581 CB ASP A 100 -4.056 -12.609 9.934 1.00 0.48 C ATOM 1582 CG ASP A 100 -4.017 -13.192 11.348 1.00 1.18 C ATOM 1583 OD1 ASP A 100 -4.771 -14.115 11.608 1.00 1.95 O ATOM 1584 OD2 ASP A 100 -3.236 -12.703 12.148 1.00 1.83 O ATOM 0 H ASP A 100 -3.838 -11.978 7.631 1.00 0.37 H new ATOM 0 HA ASP A 100 -2.431 -13.917 9.313 1.00 0.42 H new ATOM 0 HB2 ASP A 100 -3.529 -11.655 9.908 1.00 0.48 H new ATOM 0 HB3 ASP A 100 -5.087 -12.412 9.639 1.00 0.48 H new ATOM 1589 N LYS A 101 -5.260 -14.771 7.948 1.00 0.38 N ATOM 1590 CA LYS A 101 -6.109 -15.960 7.715 1.00 0.41 C ATOM 1591 C LYS A 101 -5.474 -16.765 6.585 1.00 0.38 C ATOM 1592 O LYS A 101 -5.468 -17.978 6.591 1.00 0.45 O ATOM 1593 CB LYS A 101 -7.493 -15.393 7.363 1.00 0.44 C ATOM 1594 CG LYS A 101 -7.925 -15.769 5.943 1.00 0.51 C ATOM 1595 CD LYS A 101 -8.572 -14.565 5.303 1.00 1.12 C ATOM 1596 CE LYS A 101 -9.828 -15.014 4.565 1.00 0.98 C ATOM 1597 NZ LYS A 101 -10.952 -14.711 5.495 1.00 1.40 N ATOM 0 H LYS A 101 -5.515 -13.941 7.412 1.00 0.38 H new ATOM 0 HA LYS A 101 -6.202 -16.635 8.565 1.00 0.41 H new ATOM 0 HB2 LYS A 101 -8.229 -15.765 8.076 1.00 0.44 H new ATOM 0 HB3 LYS A 101 -7.475 -14.308 7.461 1.00 0.44 H new ATOM 0 HG2 LYS A 101 -7.064 -16.091 5.358 1.00 0.51 H new ATOM 0 HG3 LYS A 101 -8.624 -16.605 5.969 1.00 0.51 H new ATOM 0 HD2 LYS A 101 -8.825 -13.825 6.062 1.00 1.12 H new ATOM 0 HD3 LYS A 101 -7.878 -14.088 4.611 1.00 1.12 H new ATOM 0 HE2 LYS A 101 -9.943 -14.481 3.621 1.00 0.98 H new ATOM 0 HE3 LYS A 101 -9.788 -16.077 4.328 1.00 0.98 H new ATOM 0 HZ1 LYS A 101 -11.805 -14.483 4.946 1.00 1.40 H new ATOM 0 HZ2 LYS A 101 -11.138 -15.539 6.096 1.00 1.40 H new ATOM 0 HZ3 LYS A 101 -10.698 -13.899 6.093 1.00 1.40 H new ATOM 1611 N ILE A 102 -4.910 -16.080 5.623 1.00 0.37 N ATOM 1612 CA ILE A 102 -4.243 -16.791 4.506 1.00 0.39 C ATOM 1613 C ILE A 102 -3.111 -17.600 5.115 1.00 0.41 C ATOM 1614 O ILE A 102 -2.799 -18.698 4.702 1.00 0.51 O ATOM 1615 CB ILE A 102 -3.702 -15.687 3.591 1.00 0.40 C ATOM 1616 CG1 ILE A 102 -4.792 -15.265 2.604 1.00 0.52 C ATOM 1617 CG2 ILE A 102 -2.486 -16.196 2.813 1.00 0.57 C ATOM 1618 CD1 ILE A 102 -4.210 -14.268 1.603 1.00 0.42 C ATOM 0 H ILE A 102 -4.886 -15.062 5.568 1.00 0.37 H new ATOM 0 HA ILE A 102 -4.895 -17.462 3.946 1.00 0.39 H new ATOM 0 HB ILE A 102 -3.405 -14.834 4.201 1.00 0.40 H new ATOM 0 HG12 ILE A 102 -5.182 -16.138 2.080 1.00 0.52 H new ATOM 0 HG13 ILE A 102 -5.628 -14.814 3.139 1.00 0.52 H new ATOM 0 HG21 ILE A 102 -2.110 -15.403 2.166 1.00 0.57 H new ATOM 0 HG22 ILE A 102 -1.705 -16.494 3.513 1.00 0.57 H new ATOM 0 HG23 ILE A 102 -2.776 -17.053 2.205 1.00 0.57 H new ATOM 0 HD11 ILE A 102 -4.985 -13.966 0.898 1.00 0.42 H new ATOM 0 HD12 ILE A 102 -3.841 -13.391 2.135 1.00 0.42 H new ATOM 0 HD13 ILE A 102 -3.388 -14.735 1.060 1.00 0.42 H new ATOM 1630 N VAL A 103 -2.520 -17.052 6.131 1.00 0.42 N ATOM 1631 CA VAL A 103 -1.424 -17.762 6.833 1.00 0.45 C ATOM 1632 C VAL A 103 -2.047 -18.827 7.731 1.00 0.44 C ATOM 1633 O VAL A 103 -1.463 -19.856 8.007 1.00 0.49 O ATOM 1634 CB VAL A 103 -0.728 -16.678 7.657 1.00 0.50 C ATOM 1635 CG1 VAL A 103 0.029 -17.314 8.825 1.00 0.57 C ATOM 1636 CG2 VAL A 103 0.259 -15.919 6.767 1.00 0.54 C ATOM 0 H VAL A 103 -2.751 -16.133 6.510 1.00 0.42 H new ATOM 0 HA VAL A 103 -0.719 -18.261 6.168 1.00 0.45 H new ATOM 0 HB VAL A 103 -1.477 -15.990 8.048 1.00 0.50 H new ATOM 0 HG11 VAL A 103 0.522 -16.535 9.407 1.00 0.57 H new ATOM 0 HG12 VAL A 103 -0.672 -17.854 9.462 1.00 0.57 H new ATOM 0 HG13 VAL A 103 0.777 -18.007 8.440 1.00 0.57 H new ATOM 0 HG21 VAL A 103 0.756 -15.146 7.352 1.00 0.54 H new ATOM 0 HG22 VAL A 103 1.003 -16.612 6.375 1.00 0.54 H new ATOM 0 HG23 VAL A 103 -0.279 -15.458 5.939 1.00 0.54 H new ATOM 1646 N SER A 104 -3.246 -18.574 8.184 1.00 0.44 N ATOM 1647 CA SER A 104 -3.943 -19.553 9.062 1.00 0.50 C ATOM 1648 C SER A 104 -4.651 -20.613 8.226 1.00 0.54 C ATOM 1649 O SER A 104 -4.946 -21.697 8.688 1.00 0.65 O ATOM 1650 CB SER A 104 -4.965 -18.721 9.831 1.00 0.53 C ATOM 1651 OG SER A 104 -5.507 -19.500 10.890 1.00 0.82 O ATOM 0 H SER A 104 -3.774 -17.725 7.981 1.00 0.44 H new ATOM 0 HA SER A 104 -3.252 -20.080 9.720 1.00 0.50 H new ATOM 0 HB2 SER A 104 -4.493 -17.823 10.230 1.00 0.53 H new ATOM 0 HB3 SER A 104 -5.761 -18.393 9.162 1.00 0.53 H new ATOM 0 HG SER A 104 -6.163 -18.967 11.386 1.00 0.82 H new ATOM 1657 N GLU A 105 -4.929 -20.297 7.003 1.00 0.60 N ATOM 1658 CA GLU A 105 -5.630 -21.268 6.113 1.00 0.67 C ATOM 1659 C GLU A 105 -5.178 -21.081 4.662 1.00 0.61 C ATOM 1660 O GLU A 105 -5.049 -22.030 3.916 1.00 0.69 O ATOM 1661 CB GLU A 105 -7.123 -20.941 6.241 1.00 0.72 C ATOM 1662 CG GLU A 105 -7.460 -20.557 7.685 1.00 0.93 C ATOM 1663 CD GLU A 105 -8.972 -20.649 7.899 1.00 1.45 C ATOM 1664 OE1 GLU A 105 -9.695 -20.571 6.919 1.00 2.21 O ATOM 1665 OE2 GLU A 105 -9.382 -20.797 9.039 1.00 1.89 O ATOM 0 H GLU A 105 -4.702 -19.402 6.570 1.00 0.60 H new ATOM 0 HA GLU A 105 -5.412 -22.299 6.393 1.00 0.67 H new ATOM 0 HB2 GLU A 105 -7.382 -20.122 5.570 1.00 0.72 H new ATOM 0 HB3 GLU A 105 -7.718 -21.802 5.938 1.00 0.72 H new ATOM 0 HG2 GLU A 105 -6.943 -21.220 8.379 1.00 0.93 H new ATOM 0 HG3 GLU A 105 -7.114 -19.545 7.893 1.00 0.93 H new ATOM 1672 N GLY A 106 -4.941 -19.863 4.255 1.00 0.52 N ATOM 1673 CA GLY A 106 -4.505 -19.625 2.848 1.00 0.53 C ATOM 1674 C GLY A 106 -5.633 -18.951 2.065 1.00 0.52 C ATOM 1675 O GLY A 106 -5.662 -18.987 0.852 1.00 0.59 O ATOM 0 H GLY A 106 -5.030 -19.026 4.832 1.00 0.52 H new ATOM 0 HA2 GLY A 106 -3.614 -18.997 2.835 1.00 0.53 H new ATOM 0 HA3 GLY A 106 -4.236 -20.570 2.376 1.00 0.53 H new ATOM 1679 N SER A 107 -6.561 -18.332 2.745 1.00 0.49 N ATOM 1680 CA SER A 107 -7.677 -17.655 2.027 1.00 0.56 C ATOM 1681 C SER A 107 -7.590 -16.152 2.227 1.00 0.50 C ATOM 1682 O SER A 107 -7.487 -15.674 3.328 1.00 0.45 O ATOM 1683 CB SER A 107 -8.953 -18.200 2.662 1.00 0.65 C ATOM 1684 OG SER A 107 -8.906 -19.621 2.670 1.00 0.96 O ATOM 0 H SER A 107 -6.594 -18.267 3.762 1.00 0.49 H new ATOM 0 HA SER A 107 -7.646 -17.841 0.953 1.00 0.56 H new ATOM 0 HB2 SER A 107 -9.056 -17.823 3.679 1.00 0.65 H new ATOM 0 HB3 SER A 107 -9.825 -17.857 2.105 1.00 0.65 H new ATOM 0 HG SER A 107 -9.724 -19.973 3.079 1.00 0.96 H new ATOM 1690 N ASP A 108 -7.652 -15.406 1.165 1.00 0.57 N ATOM 1691 CA ASP A 108 -7.605 -13.926 1.293 1.00 0.56 C ATOM 1692 C ASP A 108 -9.039 -13.402 1.291 1.00 0.60 C ATOM 1693 O ASP A 108 -9.286 -12.220 1.160 1.00 0.63 O ATOM 1694 CB ASP A 108 -6.847 -13.438 0.056 1.00 0.62 C ATOM 1695 CG ASP A 108 -7.733 -13.591 -1.182 1.00 0.92 C ATOM 1696 OD1 ASP A 108 -7.762 -14.677 -1.737 1.00 1.37 O ATOM 1697 OD2 ASP A 108 -8.368 -12.618 -1.556 1.00 1.59 O ATOM 0 H ASP A 108 -7.733 -15.757 0.211 1.00 0.57 H new ATOM 0 HA ASP A 108 -7.119 -13.585 2.207 1.00 0.56 H new ATOM 0 HB2 ASP A 108 -6.558 -12.395 0.182 1.00 0.62 H new ATOM 0 HB3 ASP A 108 -5.928 -14.010 -0.069 1.00 0.62 H new ATOM 1702 N ASP A 109 -9.990 -14.291 1.425 1.00 0.65 N ATOM 1703 CA ASP A 109 -11.419 -13.860 1.417 1.00 0.73 C ATOM 1704 C ASP A 109 -11.888 -13.494 2.828 1.00 0.63 C ATOM 1705 O ASP A 109 -12.411 -14.318 3.552 1.00 0.78 O ATOM 1706 CB ASP A 109 -12.190 -15.073 0.896 1.00 0.94 C ATOM 1707 CG ASP A 109 -12.401 -14.934 -0.612 1.00 1.36 C ATOM 1708 OD1 ASP A 109 -11.704 -14.135 -1.217 1.00 2.04 O ATOM 1709 OD2 ASP A 109 -13.258 -15.627 -1.137 1.00 1.99 O ATOM 0 H ASP A 109 -9.839 -15.293 1.539 1.00 0.65 H new ATOM 0 HA ASP A 109 -11.573 -12.974 0.801 1.00 0.73 H new ATOM 0 HB2 ASP A 109 -11.640 -15.988 1.114 1.00 0.94 H new ATOM 0 HB3 ASP A 109 -13.152 -15.151 1.403 1.00 0.94 H new ATOM 1714 N ILE A 110 -11.717 -12.260 3.221 1.00 0.50 N ATOM 1715 CA ILE A 110 -12.166 -11.841 4.582 1.00 0.53 C ATOM 1716 C ILE A 110 -13.438 -10.997 4.469 1.00 0.60 C ATOM 1717 O ILE A 110 -13.656 -10.080 5.235 1.00 0.72 O ATOM 1718 CB ILE A 110 -11.021 -10.998 5.144 1.00 0.49 C ATOM 1719 CG1 ILE A 110 -10.689 -9.876 4.158 1.00 0.53 C ATOM 1720 CG2 ILE A 110 -9.784 -11.874 5.361 1.00 0.48 C ATOM 1721 CD1 ILE A 110 -9.978 -8.739 4.894 1.00 0.63 C ATOM 0 H ILE A 110 -11.287 -11.525 2.660 1.00 0.50 H new ATOM 0 HA ILE A 110 -12.393 -12.693 5.222 1.00 0.53 H new ATOM 0 HB ILE A 110 -11.324 -10.570 6.099 1.00 0.49 H new ATOM 0 HG12 ILE A 110 -10.055 -10.257 3.358 1.00 0.53 H new ATOM 0 HG13 ILE A 110 -11.602 -9.506 3.692 1.00 0.53 H new ATOM 0 HG21 ILE A 110 -8.973 -11.266 5.761 1.00 0.48 H new ATOM 0 HG22 ILE A 110 -10.022 -12.671 6.065 1.00 0.48 H new ATOM 0 HG23 ILE A 110 -9.475 -12.310 4.411 1.00 0.48 H new ATOM 0 HD11 ILE A 110 -9.742 -7.941 4.190 1.00 0.63 H new ATOM 0 HD12 ILE A 110 -10.628 -8.351 5.678 1.00 0.63 H new ATOM 0 HD13 ILE A 110 -9.056 -9.114 5.339 1.00 0.63 H new ATOM 1733 N GLY A 111 -14.275 -11.294 3.513 1.00 0.61 N ATOM 1734 CA GLY A 111 -15.526 -10.501 3.348 1.00 0.71 C ATOM 1735 C GLY A 111 -15.167 -9.086 2.893 1.00 0.70 C ATOM 1736 O GLY A 111 -15.985 -8.188 2.913 1.00 0.84 O ATOM 0 H GLY A 111 -14.147 -12.050 2.840 1.00 0.61 H new ATOM 0 HA2 GLY A 111 -16.179 -10.977 2.616 1.00 0.71 H new ATOM 0 HA3 GLY A 111 -16.075 -10.465 4.289 1.00 0.71 H new ATOM 1740 N GLU A 112 -13.942 -8.880 2.488 1.00 0.63 N ATOM 1741 CA GLU A 112 -13.519 -7.523 2.036 1.00 0.75 C ATOM 1742 C GLU A 112 -14.389 -7.045 0.867 1.00 0.68 C ATOM 1743 O GLU A 112 -15.466 -7.553 0.630 1.00 1.29 O ATOM 1744 CB GLU A 112 -12.067 -7.690 1.590 1.00 0.95 C ATOM 1745 CG GLU A 112 -11.953 -8.928 0.702 1.00 1.83 C ATOM 1746 CD GLU A 112 -10.904 -8.684 -0.385 1.00 2.47 C ATOM 1747 OE1 GLU A 112 -9.908 -8.047 -0.085 1.00 2.95 O ATOM 1748 OE2 GLU A 112 -11.115 -9.139 -1.497 1.00 3.02 O ATOM 0 H GLU A 112 -13.215 -9.594 2.451 1.00 0.63 H new ATOM 0 HA GLU A 112 -13.623 -6.779 2.826 1.00 0.75 H new ATOM 0 HB2 GLU A 112 -11.737 -6.805 1.045 1.00 0.95 H new ATOM 0 HB3 GLU A 112 -11.416 -7.790 2.459 1.00 0.95 H new ATOM 0 HG2 GLU A 112 -11.675 -9.794 1.302 1.00 1.83 H new ATOM 0 HG3 GLU A 112 -12.918 -9.152 0.247 1.00 1.83 H new ATOM 1755 N ASN A 113 -13.924 -6.064 0.140 1.00 0.64 N ATOM 1756 CA ASN A 113 -14.712 -5.538 -1.013 1.00 0.56 C ATOM 1757 C ASN A 113 -13.841 -4.602 -1.849 1.00 0.58 C ATOM 1758 O ASN A 113 -14.156 -3.453 -2.039 1.00 1.00 O ATOM 1759 CB ASN A 113 -15.876 -4.777 -0.376 1.00 0.69 C ATOM 1760 CG ASN A 113 -17.142 -4.990 -1.208 1.00 1.15 C ATOM 1761 OD1 ASN A 113 -17.078 -5.477 -2.320 1.00 1.91 O ATOM 1762 ND2 ASN A 113 -18.300 -4.645 -0.714 1.00 1.74 N ATOM 0 H ASN A 113 -13.028 -5.602 0.296 1.00 0.64 H new ATOM 0 HA ASN A 113 -15.063 -6.326 -1.680 1.00 0.56 H new ATOM 0 HB2 ASN A 113 -16.036 -5.124 0.645 1.00 0.69 H new ATOM 0 HB3 ASN A 113 -15.641 -3.714 -0.318 1.00 0.69 H new ATOM 0 HD21 ASN A 113 -19.150 -4.784 -1.261 1.00 1.74 H new ATOM 0 HD22 ASN A 113 -18.355 -4.236 0.219 1.00 1.74 H new ATOM 1769 N ILE A 114 -12.738 -5.089 -2.340 1.00 0.47 N ATOM 1770 CA ILE A 114 -11.831 -4.222 -3.152 1.00 0.46 C ATOM 1771 C ILE A 114 -12.622 -3.345 -4.120 1.00 0.43 C ATOM 1772 O ILE A 114 -12.663 -2.139 -3.975 1.00 0.39 O ATOM 1773 CB ILE A 114 -10.927 -5.192 -3.916 1.00 0.60 C ATOM 1774 CG1 ILE A 114 -10.334 -6.238 -2.957 1.00 0.64 C ATOM 1775 CG2 ILE A 114 -9.792 -4.409 -4.577 1.00 0.85 C ATOM 1776 CD1 ILE A 114 -10.122 -5.627 -1.567 1.00 0.88 C ATOM 0 H ILE A 114 -12.422 -6.051 -2.216 1.00 0.47 H new ATOM 0 HA ILE A 114 -11.261 -3.539 -2.522 1.00 0.46 H new ATOM 0 HB ILE A 114 -11.518 -5.704 -4.675 1.00 0.60 H new ATOM 0 HG12 ILE A 114 -11.002 -7.096 -2.886 1.00 0.64 H new ATOM 0 HG13 ILE A 114 -9.385 -6.604 -3.349 1.00 0.64 H new ATOM 0 HG21 ILE A 114 -9.145 -5.096 -5.122 1.00 0.85 H new ATOM 0 HG22 ILE A 114 -10.209 -3.677 -5.269 1.00 0.85 H new ATOM 0 HG23 ILE A 114 -9.211 -3.894 -3.812 1.00 0.85 H new ATOM 0 HD11 ILE A 114 -9.702 -6.379 -0.899 1.00 0.88 H new ATOM 0 HD12 ILE A 114 -9.436 -4.784 -1.641 1.00 0.88 H new ATOM 0 HD13 ILE A 114 -11.078 -5.283 -1.171 1.00 0.88 H new ATOM 1788 N ASP A 115 -13.242 -3.929 -5.111 1.00 0.52 N ATOM 1789 CA ASP A 115 -14.021 -3.108 -6.082 1.00 0.60 C ATOM 1790 C ASP A 115 -14.802 -2.035 -5.335 1.00 0.55 C ATOM 1791 O ASP A 115 -15.069 -0.964 -5.841 1.00 0.60 O ATOM 1792 CB ASP A 115 -14.969 -4.088 -6.774 1.00 0.75 C ATOM 1793 CG ASP A 115 -14.942 -3.846 -8.284 1.00 1.29 C ATOM 1794 OD1 ASP A 115 -14.713 -2.714 -8.679 1.00 1.86 O ATOM 1795 OD2 ASP A 115 -15.151 -4.797 -9.021 1.00 1.95 O ATOM 0 H ASP A 115 -13.243 -4.933 -5.289 1.00 0.52 H new ATOM 0 HA ASP A 115 -13.382 -2.598 -6.803 1.00 0.60 H new ATOM 0 HB2 ASP A 115 -14.672 -5.114 -6.554 1.00 0.75 H new ATOM 0 HB3 ASP A 115 -15.982 -3.961 -6.393 1.00 0.75 H new ATOM 1800 N VAL A 116 -15.154 -2.329 -4.127 1.00 0.52 N ATOM 1801 CA VAL A 116 -15.912 -1.355 -3.297 1.00 0.57 C ATOM 1802 C VAL A 116 -14.961 -0.497 -2.474 1.00 0.47 C ATOM 1803 O VAL A 116 -15.032 0.715 -2.473 1.00 0.46 O ATOM 1804 CB VAL A 116 -16.781 -2.215 -2.382 1.00 0.72 C ATOM 1805 CG1 VAL A 116 -17.358 -1.350 -1.260 1.00 0.82 C ATOM 1806 CG2 VAL A 116 -17.925 -2.828 -3.193 1.00 0.89 C ATOM 0 H VAL A 116 -14.948 -3.216 -3.666 1.00 0.52 H new ATOM 0 HA VAL A 116 -16.503 -0.671 -3.905 1.00 0.57 H new ATOM 0 HB VAL A 116 -16.174 -3.010 -1.950 1.00 0.72 H new ATOM 0 HG11 VAL A 116 -17.978 -1.966 -0.608 1.00 0.82 H new ATOM 0 HG12 VAL A 116 -16.544 -0.914 -0.681 1.00 0.82 H new ATOM 0 HG13 VAL A 116 -17.964 -0.553 -1.690 1.00 0.82 H new ATOM 0 HG21 VAL A 116 -18.546 -3.442 -2.540 1.00 0.89 H new ATOM 0 HG22 VAL A 116 -18.531 -2.032 -3.626 1.00 0.89 H new ATOM 0 HG23 VAL A 116 -17.515 -3.447 -3.991 1.00 0.89 H new ATOM 1816 N PHE A 117 -14.075 -1.130 -1.779 1.00 0.45 N ATOM 1817 CA PHE A 117 -13.100 -0.380 -0.940 1.00 0.45 C ATOM 1818 C PHE A 117 -12.274 0.548 -1.824 1.00 0.39 C ATOM 1819 O PHE A 117 -11.714 1.527 -1.373 1.00 0.46 O ATOM 1820 CB PHE A 117 -12.212 -1.451 -0.305 1.00 0.52 C ATOM 1821 CG PHE A 117 -12.098 -1.199 1.180 1.00 0.80 C ATOM 1822 CD1 PHE A 117 -11.088 -0.366 1.674 1.00 1.10 C ATOM 1823 CD2 PHE A 117 -13.005 -1.799 2.064 1.00 1.81 C ATOM 1824 CE1 PHE A 117 -10.982 -0.134 3.051 1.00 1.60 C ATOM 1825 CE2 PHE A 117 -12.900 -1.565 3.440 1.00 2.43 C ATOM 1826 CZ PHE A 117 -11.889 -0.732 3.934 1.00 2.16 C ATOM 0 H PHE A 117 -13.977 -2.145 -1.751 1.00 0.45 H new ATOM 0 HA PHE A 117 -13.585 0.238 -0.184 1.00 0.45 H new ATOM 0 HB2 PHE A 117 -12.633 -2.440 -0.485 1.00 0.52 H new ATOM 0 HB3 PHE A 117 -11.223 -1.437 -0.764 1.00 0.52 H new ATOM 0 HD1 PHE A 117 -10.390 0.098 0.993 1.00 1.10 H new ATOM 0 HD2 PHE A 117 -13.785 -2.442 1.684 1.00 1.81 H new ATOM 0 HE1 PHE A 117 -10.200 0.506 3.432 1.00 1.60 H new ATOM 0 HE2 PHE A 117 -13.599 -2.027 4.121 1.00 2.43 H new ATOM 0 HZ PHE A 117 -11.809 -0.551 4.996 1.00 2.16 H new ATOM 1836 N SER A 118 -12.213 0.251 -3.090 1.00 0.37 N ATOM 1837 CA SER A 118 -11.450 1.102 -4.019 1.00 0.46 C ATOM 1838 C SER A 118 -12.375 2.156 -4.578 1.00 0.49 C ATOM 1839 O SER A 118 -12.049 3.315 -4.638 1.00 0.60 O ATOM 1840 CB SER A 118 -10.972 0.153 -5.114 1.00 0.58 C ATOM 1841 OG SER A 118 -10.477 0.909 -6.212 1.00 1.18 O ATOM 0 H SER A 118 -12.667 -0.556 -3.518 1.00 0.37 H new ATOM 0 HA SER A 118 -10.611 1.617 -3.550 1.00 0.46 H new ATOM 0 HB2 SER A 118 -10.191 -0.502 -4.728 1.00 0.58 H new ATOM 0 HB3 SER A 118 -11.792 -0.487 -5.439 1.00 0.58 H new ATOM 0 HG SER A 118 -10.168 0.301 -6.915 1.00 1.18 H new ATOM 1847 N ASP A 119 -13.543 1.744 -4.955 1.00 0.47 N ATOM 1848 CA ASP A 119 -14.539 2.705 -5.504 1.00 0.58 C ATOM 1849 C ASP A 119 -14.966 3.656 -4.403 1.00 0.50 C ATOM 1850 O ASP A 119 -15.404 4.761 -4.642 1.00 0.58 O ATOM 1851 CB ASP A 119 -15.714 1.848 -5.978 1.00 0.72 C ATOM 1852 CG ASP A 119 -16.651 2.696 -6.839 1.00 1.35 C ATOM 1853 OD1 ASP A 119 -16.174 3.645 -7.439 1.00 2.05 O ATOM 1854 OD2 ASP A 119 -17.829 2.383 -6.883 1.00 2.07 O ATOM 0 H ASP A 119 -13.859 0.775 -4.908 1.00 0.47 H new ATOM 0 HA ASP A 119 -14.142 3.307 -6.321 1.00 0.58 H new ATOM 0 HB2 ASP A 119 -15.348 0.996 -6.551 1.00 0.72 H new ATOM 0 HB3 ASP A 119 -16.254 1.447 -5.120 1.00 0.72 H new ATOM 1859 N THR A 120 -14.804 3.231 -3.195 1.00 0.42 N ATOM 1860 CA THR A 120 -15.152 4.092 -2.041 1.00 0.45 C ATOM 1861 C THR A 120 -14.056 5.138 -1.894 1.00 0.36 C ATOM 1862 O THR A 120 -14.296 6.312 -1.704 1.00 0.42 O ATOM 1863 CB THR A 120 -15.190 3.124 -0.848 1.00 0.53 C ATOM 1864 OG1 THR A 120 -16.537 2.762 -0.579 1.00 0.75 O ATOM 1865 CG2 THR A 120 -14.580 3.770 0.398 1.00 0.68 C ATOM 0 H THR A 120 -14.440 2.310 -2.950 1.00 0.42 H new ATOM 0 HA THR A 120 -16.098 4.625 -2.136 1.00 0.45 H new ATOM 0 HB THR A 120 -14.607 2.238 -1.100 1.00 0.53 H new ATOM 0 HG1 THR A 120 -16.564 2.143 0.180 1.00 0.75 H new ATOM 0 HG21 THR A 120 -14.618 3.066 1.229 1.00 0.68 H new ATOM 0 HG22 THR A 120 -13.543 4.039 0.198 1.00 0.68 H new ATOM 0 HG23 THR A 120 -15.144 4.666 0.656 1.00 0.68 H new ATOM 1873 N ILE A 121 -12.854 4.684 -2.001 1.00 0.33 N ATOM 1874 CA ILE A 121 -11.679 5.581 -1.894 1.00 0.43 C ATOM 1875 C ILE A 121 -11.470 6.326 -3.222 1.00 0.51 C ATOM 1876 O ILE A 121 -11.076 7.475 -3.243 1.00 0.61 O ATOM 1877 CB ILE A 121 -10.530 4.614 -1.567 1.00 0.56 C ATOM 1878 CG1 ILE A 121 -10.040 4.885 -0.147 1.00 0.68 C ATOM 1879 CG2 ILE A 121 -9.367 4.765 -2.551 1.00 0.71 C ATOM 1880 CD1 ILE A 121 -9.411 6.277 -0.079 1.00 1.34 C ATOM 0 H ILE A 121 -12.625 3.703 -2.163 1.00 0.33 H new ATOM 0 HA ILE A 121 -11.774 6.362 -1.140 1.00 0.43 H new ATOM 0 HB ILE A 121 -10.905 3.594 -1.651 1.00 0.56 H new ATOM 0 HG12 ILE A 121 -10.871 4.816 0.555 1.00 0.68 H new ATOM 0 HG13 ILE A 121 -9.311 4.130 0.147 1.00 0.68 H new ATOM 0 HG21 ILE A 121 -8.574 4.065 -2.287 1.00 0.71 H new ATOM 0 HG22 ILE A 121 -9.716 4.554 -3.562 1.00 0.71 H new ATOM 0 HG23 ILE A 121 -8.982 5.784 -2.505 1.00 0.71 H new ATOM 0 HD11 ILE A 121 -9.062 6.469 0.935 1.00 1.34 H new ATOM 0 HD12 ILE A 121 -8.569 6.330 -0.769 1.00 1.34 H new ATOM 0 HD13 ILE A 121 -10.154 7.026 -0.355 1.00 1.34 H new ATOM 1892 N LYS A 122 -11.742 5.683 -4.328 1.00 0.55 N ATOM 1893 CA LYS A 122 -11.571 6.356 -5.638 1.00 0.76 C ATOM 1894 C LYS A 122 -12.580 7.485 -5.751 1.00 0.73 C ATOM 1895 O LYS A 122 -12.308 8.530 -6.309 1.00 0.83 O ATOM 1896 CB LYS A 122 -11.844 5.267 -6.673 1.00 0.97 C ATOM 1897 CG LYS A 122 -10.515 4.831 -7.276 1.00 0.64 C ATOM 1898 CD LYS A 122 -10.249 3.363 -6.946 1.00 0.57 C ATOM 1899 CE LYS A 122 -9.047 3.269 -6.002 1.00 0.70 C ATOM 1900 NZ LYS A 122 -8.301 2.060 -6.448 1.00 1.14 N ATOM 0 H LYS A 122 -12.075 4.720 -4.375 1.00 0.55 H new ATOM 0 HA LYS A 122 -10.582 6.793 -5.774 1.00 0.76 H new ATOM 0 HB2 LYS A 122 -12.345 4.419 -6.207 1.00 0.97 H new ATOM 0 HB3 LYS A 122 -12.509 5.642 -7.451 1.00 0.97 H new ATOM 0 HG2 LYS A 122 -10.533 4.972 -8.357 1.00 0.64 H new ATOM 0 HG3 LYS A 122 -9.708 5.452 -6.887 1.00 0.64 H new ATOM 0 HD2 LYS A 122 -11.128 2.917 -6.480 1.00 0.57 H new ATOM 0 HD3 LYS A 122 -10.054 2.802 -7.860 1.00 0.57 H new ATOM 0 HE2 LYS A 122 -8.425 4.162 -6.065 1.00 0.70 H new ATOM 0 HE3 LYS A 122 -9.367 3.175 -4.964 1.00 0.70 H new ATOM 0 HZ1 LYS A 122 -7.295 2.163 -6.204 1.00 1.14 H new ATOM 0 HZ2 LYS A 122 -8.688 1.219 -5.974 1.00 1.14 H new ATOM 0 HZ3 LYS A 122 -8.398 1.952 -7.478 1.00 1.14 H new ATOM 1914 N SER A 123 -13.739 7.289 -5.198 1.00 0.65 N ATOM 1915 CA SER A 123 -14.766 8.354 -5.239 1.00 0.73 C ATOM 1916 C SER A 123 -14.556 9.290 -4.058 1.00 0.61 C ATOM 1917 O SER A 123 -15.124 10.361 -3.982 1.00 0.68 O ATOM 1918 CB SER A 123 -16.095 7.629 -5.111 1.00 0.84 C ATOM 1919 OG SER A 123 -16.546 7.233 -6.400 1.00 1.11 O ATOM 0 H SER A 123 -14.019 6.433 -4.718 1.00 0.65 H new ATOM 0 HA SER A 123 -14.722 8.951 -6.150 1.00 0.73 H new ATOM 0 HB2 SER A 123 -15.984 6.755 -4.469 1.00 0.84 H new ATOM 0 HB3 SER A 123 -16.832 8.279 -4.640 1.00 0.84 H new ATOM 0 HG SER A 123 -17.402 6.764 -6.317 1.00 1.11 H new ATOM 1925 N PHE A 124 -13.726 8.890 -3.142 1.00 0.49 N ATOM 1926 CA PHE A 124 -13.450 9.747 -1.959 1.00 0.53 C ATOM 1927 C PHE A 124 -12.534 10.897 -2.364 1.00 0.62 C ATOM 1928 O PHE A 124 -12.194 11.750 -1.569 1.00 0.76 O ATOM 1929 CB PHE A 124 -12.745 8.833 -0.962 1.00 0.51 C ATOM 1930 CG PHE A 124 -13.315 9.055 0.418 1.00 0.76 C ATOM 1931 CD1 PHE A 124 -13.116 10.277 1.071 1.00 1.28 C ATOM 1932 CD2 PHE A 124 -14.045 8.038 1.044 1.00 1.32 C ATOM 1933 CE1 PHE A 124 -13.646 10.481 2.351 1.00 1.57 C ATOM 1934 CE2 PHE A 124 -14.574 8.241 2.324 1.00 1.71 C ATOM 1935 CZ PHE A 124 -14.374 9.463 2.977 1.00 1.60 C ATOM 0 H PHE A 124 -13.224 8.002 -3.161 1.00 0.49 H new ATOM 0 HA PHE A 124 -14.356 10.183 -1.538 1.00 0.53 H new ATOM 0 HB2 PHE A 124 -12.872 7.791 -1.256 1.00 0.51 H new ATOM 0 HB3 PHE A 124 -11.674 9.036 -0.961 1.00 0.51 H new ATOM 0 HD1 PHE A 124 -12.554 11.062 0.588 1.00 1.28 H new ATOM 0 HD2 PHE A 124 -14.200 7.096 0.539 1.00 1.32 H new ATOM 0 HE1 PHE A 124 -13.493 11.424 2.855 1.00 1.57 H new ATOM 0 HE2 PHE A 124 -15.136 7.456 2.807 1.00 1.71 H new ATOM 0 HZ PHE A 124 -14.782 9.620 3.965 1.00 1.60 H new ATOM 1945 N ALA A 125 -12.133 10.918 -3.601 1.00 0.64 N ATOM 1946 CA ALA A 125 -11.234 12.008 -4.073 1.00 0.80 C ATOM 1947 C ALA A 125 -11.171 12.024 -5.602 1.00 1.23 C ATOM 1948 O ALA A 125 -10.109 11.953 -6.189 1.00 1.88 O ATOM 1949 CB ALA A 125 -9.864 11.674 -3.486 1.00 1.38 C ATOM 0 H ALA A 125 -12.388 10.228 -4.308 1.00 0.64 H new ATOM 0 HA ALA A 125 -11.584 12.992 -3.761 1.00 0.80 H new ATOM 0 HB1 ALA A 125 -9.143 12.433 -3.789 1.00 1.38 H new ATOM 0 HB2 ALA A 125 -9.930 11.651 -2.398 1.00 1.38 H new ATOM 0 HB3 ALA A 125 -9.540 10.699 -3.851 1.00 1.38 H new ATOM 1955 N SER A 126 -12.298 12.115 -6.253 1.00 1.78 N ATOM 1956 CA SER A 126 -12.298 12.136 -7.743 1.00 2.53 C ATOM 1957 C SER A 126 -13.735 12.133 -8.271 1.00 3.18 C ATOM 1958 O SER A 126 -14.657 12.530 -7.587 1.00 3.80 O ATOM 1959 CB SER A 126 -11.566 10.857 -8.161 1.00 3.16 C ATOM 1960 OG SER A 126 -12.507 9.912 -8.654 1.00 3.56 O ATOM 0 H SER A 126 -13.218 12.176 -5.818 1.00 1.78 H new ATOM 0 HA SER A 126 -11.815 13.028 -8.143 1.00 2.53 H new ATOM 0 HB2 SER A 126 -10.826 11.083 -8.928 1.00 3.16 H new ATOM 0 HB3 SER A 126 -11.027 10.440 -7.311 1.00 3.16 H new ATOM 0 HG SER A 126 -12.661 9.220 -7.977 1.00 3.56 H new ATOM 1966 N SER A 127 -13.932 11.689 -9.481 1.00 3.60 N ATOM 1967 CA SER A 127 -15.310 11.662 -10.053 1.00 4.58 C ATOM 1968 C SER A 127 -15.808 13.090 -10.293 1.00 5.09 C ATOM 1969 O SER A 127 -16.949 13.308 -10.651 1.00 5.54 O ATOM 1970 CB SER A 127 -16.165 10.954 -8.999 1.00 5.28 C ATOM 1971 OG SER A 127 -17.145 11.853 -8.499 1.00 5.86 O ATOM 0 H SER A 127 -13.199 11.343 -10.100 1.00 3.60 H new ATOM 0 HA SER A 127 -15.352 11.149 -11.014 1.00 4.58 H new ATOM 0 HB2 SER A 127 -16.648 10.079 -9.435 1.00 5.28 H new ATOM 0 HB3 SER A 127 -15.535 10.597 -8.184 1.00 5.28 H new ATOM 0 HG SER A 127 -16.713 12.525 -7.931 1.00 5.86 H new ATOM 1977 N GLY A 128 -14.961 14.065 -10.102 1.00 5.45 N ATOM 1978 CA GLY A 128 -15.386 15.477 -10.325 1.00 6.34 C ATOM 1979 C GLY A 128 -15.359 16.242 -8.999 1.00 6.77 C ATOM 1980 O GLY A 128 -15.320 17.456 -8.975 1.00 6.88 O ATOM 0 H GLY A 128 -13.994 13.945 -9.801 1.00 5.45 H new ATOM 0 HA2 GLY A 128 -14.723 15.956 -11.046 1.00 6.34 H new ATOM 0 HA3 GLY A 128 -16.390 15.502 -10.749 1.00 6.34 H new ATOM 1984 N LYS A 129 -15.381 15.543 -7.897 1.00 7.32 N ATOM 1985 CA LYS A 129 -15.360 16.232 -6.572 1.00 8.01 C ATOM 1986 C LYS A 129 -16.545 17.197 -6.454 1.00 8.24 C ATOM 1987 O LYS A 129 -16.578 18.051 -5.590 1.00 8.21 O ATOM 1988 CB LYS A 129 -14.036 16.998 -6.538 1.00 8.56 C ATOM 1989 CG LYS A 129 -13.937 17.792 -5.232 1.00 9.06 C ATOM 1990 CD LYS A 129 -14.092 19.287 -5.522 1.00 9.71 C ATOM 1991 CE LYS A 129 -13.006 19.738 -6.502 1.00 10.34 C ATOM 1992 NZ LYS A 129 -13.742 20.116 -7.740 1.00 10.94 N ATOM 0 H LYS A 129 -15.413 14.524 -7.855 1.00 7.32 H new ATOM 0 HA LYS A 129 -15.442 15.529 -5.743 1.00 8.01 H new ATOM 0 HB2 LYS A 129 -13.200 16.303 -6.618 1.00 8.56 H new ATOM 0 HB3 LYS A 129 -13.972 17.673 -7.392 1.00 8.56 H new ATOM 0 HG2 LYS A 129 -14.710 17.465 -4.537 1.00 9.06 H new ATOM 0 HG3 LYS A 129 -12.977 17.603 -4.752 1.00 9.06 H new ATOM 0 HD2 LYS A 129 -15.079 19.486 -5.941 1.00 9.71 H new ATOM 0 HD3 LYS A 129 -14.019 19.856 -4.596 1.00 9.71 H new ATOM 0 HE2 LYS A 129 -12.441 20.581 -6.105 1.00 10.34 H new ATOM 0 HE3 LYS A 129 -12.291 18.938 -6.696 1.00 10.34 H new ATOM 0 HZ1 LYS A 129 -13.219 19.777 -8.572 1.00 10.94 H new ATOM 0 HZ2 LYS A 129 -14.688 19.685 -7.727 1.00 10.94 H new ATOM 0 HZ3 LYS A 129 -13.834 21.151 -7.787 1.00 10.94 H new ATOM 2006 N GLU A 130 -17.520 17.065 -7.312 1.00 8.73 N ATOM 2007 CA GLU A 130 -18.700 17.973 -7.241 1.00 9.26 C ATOM 2008 C GLU A 130 -19.559 17.624 -6.031 1.00 9.40 C ATOM 2009 O GLU A 130 -19.056 17.240 -4.993 1.00 9.56 O ATOM 2010 CB GLU A 130 -19.471 17.728 -8.539 1.00 9.88 C ATOM 2011 CG GLU A 130 -18.533 17.922 -9.733 1.00 10.60 C ATOM 2012 CD GLU A 130 -18.346 19.416 -9.996 1.00 10.49 C ATOM 2013 OE1 GLU A 130 -19.337 20.130 -9.974 1.00 10.59 O ATOM 2014 OE2 GLU A 130 -17.218 19.823 -10.216 1.00 10.53 O ATOM 0 H GLU A 130 -17.551 16.369 -8.057 1.00 8.73 H new ATOM 0 HA GLU A 130 -18.411 19.018 -7.134 1.00 9.26 H new ATOM 0 HB2 GLU A 130 -19.882 16.718 -8.546 1.00 9.88 H new ATOM 0 HB3 GLU A 130 -20.314 18.416 -8.609 1.00 9.88 H new ATOM 0 HG2 GLU A 130 -17.569 17.454 -9.532 1.00 10.60 H new ATOM 0 HG3 GLU A 130 -18.946 17.435 -10.616 1.00 10.60 H new ATOM 2021 N LYS A 131 -20.852 17.753 -6.152 1.00 9.61 N ATOM 2022 CA LYS A 131 -21.739 17.419 -5.005 1.00 10.04 C ATOM 2023 C LYS A 131 -21.383 18.277 -3.780 1.00 10.65 C ATOM 2024 O LYS A 131 -21.605 19.470 -3.772 1.00 11.01 O ATOM 2025 CB LYS A 131 -21.484 15.931 -4.762 1.00 10.33 C ATOM 2026 CG LYS A 131 -22.271 15.108 -5.784 1.00 10.49 C ATOM 2027 CD LYS A 131 -21.299 14.319 -6.665 1.00 10.93 C ATOM 2028 CE LYS A 131 -20.328 13.535 -5.780 1.00 11.36 C ATOM 2029 NZ LYS A 131 -18.979 14.046 -6.149 1.00 11.91 N ATOM 0 H LYS A 131 -21.330 18.074 -6.994 1.00 9.61 H new ATOM 0 HA LYS A 131 -22.792 17.621 -5.201 1.00 10.04 H new ATOM 0 HB2 LYS A 131 -20.419 15.715 -4.847 1.00 10.33 H new ATOM 0 HB3 LYS A 131 -21.785 15.659 -3.750 1.00 10.33 H new ATOM 0 HG2 LYS A 131 -22.949 14.426 -5.272 1.00 10.49 H new ATOM 0 HG3 LYS A 131 -22.885 15.765 -6.400 1.00 10.49 H new ATOM 0 HD2 LYS A 131 -21.850 13.636 -7.312 1.00 10.93 H new ATOM 0 HD3 LYS A 131 -20.748 14.998 -7.315 1.00 10.93 H new ATOM 0 HE2 LYS A 131 -20.537 13.698 -4.723 1.00 11.36 H new ATOM 0 HE3 LYS A 131 -20.407 12.463 -5.959 1.00 11.36 H new ATOM 0 HZ1 LYS A 131 -18.329 13.921 -5.347 1.00 11.91 H new ATOM 0 HZ2 LYS A 131 -18.621 13.518 -6.970 1.00 11.91 H new ATOM 0 HZ3 LYS A 131 -19.044 15.056 -6.388 1.00 11.91 H new ATOM 2043 N LEU A 132 -20.853 17.684 -2.745 1.00 10.97 N ATOM 2044 CA LEU A 132 -20.505 18.473 -1.518 1.00 11.77 C ATOM 2045 C LEU A 132 -19.521 19.606 -1.843 1.00 12.32 C ATOM 2046 O LEU A 132 -18.348 19.530 -1.540 1.00 12.49 O ATOM 2047 CB LEU A 132 -19.872 17.482 -0.525 1.00 11.80 C ATOM 2048 CG LEU A 132 -19.006 16.434 -1.243 1.00 12.23 C ATOM 2049 CD1 LEU A 132 -18.095 17.103 -2.276 1.00 12.10 C ATOM 2050 CD2 LEU A 132 -18.140 15.709 -0.210 1.00 12.76 C ATOM 0 H LEU A 132 -20.644 16.687 -2.692 1.00 10.97 H new ATOM 0 HA LEU A 132 -21.396 18.942 -1.100 1.00 11.77 H new ATOM 0 HB2 LEU A 132 -19.262 18.028 0.195 1.00 11.80 H new ATOM 0 HB3 LEU A 132 -20.658 16.980 0.039 1.00 11.80 H new ATOM 0 HG LEU A 132 -19.660 15.728 -1.755 1.00 12.23 H new ATOM 0 HD11 LEU A 132 -17.490 16.345 -2.773 1.00 12.10 H new ATOM 0 HD12 LEU A 132 -18.704 17.624 -3.015 1.00 12.10 H new ATOM 0 HD13 LEU A 132 -17.441 17.818 -1.776 1.00 12.10 H new ATOM 0 HD21 LEU A 132 -17.523 14.964 -0.712 1.00 12.76 H new ATOM 0 HD22 LEU A 132 -17.499 16.430 0.297 1.00 12.76 H new ATOM 0 HD23 LEU A 132 -18.781 15.216 0.521 1.00 12.76 H new ATOM 2062 N GLU A 133 -19.992 20.665 -2.441 1.00 12.79 N ATOM 2063 CA GLU A 133 -19.084 21.802 -2.769 1.00 13.50 C ATOM 2064 C GLU A 133 -19.895 23.003 -3.264 1.00 14.14 C ATOM 2065 O GLU A 133 -20.926 23.282 -2.673 1.00 14.29 O ATOM 2066 CB GLU A 133 -18.171 21.275 -3.877 1.00 13.69 C ATOM 2067 CG GLU A 133 -19.007 20.530 -4.919 1.00 14.17 C ATOM 2068 CD GLU A 133 -19.912 21.522 -5.651 1.00 14.15 C ATOM 2069 OE1 GLU A 133 -19.390 22.322 -6.410 1.00 14.17 O ATOM 2070 OE2 GLU A 133 -21.112 21.465 -5.441 1.00 14.24 O ATOM 0 H GLU A 133 -20.966 20.793 -2.717 1.00 12.79 H new ATOM 0 HA GLU A 133 -18.517 22.140 -1.902 1.00 13.50 H new ATOM 0 HB2 GLU A 133 -17.638 22.102 -4.347 1.00 13.69 H new ATOM 0 HB3 GLU A 133 -17.418 20.609 -3.456 1.00 13.69 H new ATOM 0 HG2 GLU A 133 -18.354 20.024 -5.630 1.00 14.17 H new ATOM 0 HG3 GLU A 133 -19.609 19.761 -4.435 1.00 14.17 H new TER 2077 GLU A 133