USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 823 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 74 MET CE :methyl -142:sc= -0.0804 (180deg=-1.88!) USER MOD Set 1.2: A 97 ASN : amide:sc= 0 X(o=-0.08,f=-0.18) USER MOD Set 2.1: A 1 GLY N :NH3+ -115:sc= 0.318 (180deg=-1.44) USER MOD Set 2.2: A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot -78:sc= 0.916 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc= -0.848 X(o=-0.85,f=-0.45) USER MOD Single : A 20 HIS : no HD1:sc= -2.34! K(o=-2.3!,f=-1.2) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00676) USER MOD Single : A 33 ASN : amide:sc= 0.666 K(o=0.67,f=-5.4!) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -4:sc= -0.233 USER MOD Single : A 40 ASN : amide:sc= -0.309 K(o=-0.31,f=-4.8!) USER MOD Single : A 41 SER OG : rot 180:sc= 0.251 USER MOD Single : A 42 LYS NZ :NH3+ -100:sc= 0.996 (180deg=-1.19!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -162:sc= -0.0247 (180deg=-0.223) USER MOD Single : A 53 SER OG : rot -49:sc= 0.454 USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.116 USER MOD Single : A 57 SER OG : rot 180:sc= 0.0021 USER MOD Single : A 61 THR OG1 : rot 139:sc= 0.653 USER MOD Single : A 62 ASN : amide:sc= -0.285 K(o=-0.28,f=-2!) USER MOD Single : A 75 HIS : no HE2:sc= -3.65! C(o=-3.6!,f=-8.6!) USER MOD Single : A 76 SER OG : rot 58:sc= 0.9 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.0786 USER MOD Single : A 79 HIS : no HD1:sc= -0.502 X(o=-0.5,f=-0.088) USER MOD Single : A 84 LYS NZ :NH3+ -162:sc= 1.05 (180deg=0.832) USER MOD Single : A 86 GLN : amide:sc= -0.0243 X(o=-0.024,f=-0.3) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -0.051 K(o=-0.051,f=-1) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot -108:sc= -0.764 USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 99 GLN : amide:sc= -0.144 X(o=-0.14,f=-0.079) USER MOD Single : A 101 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0913) USER MOD Single : A 105 ASN : amide:sc= 0.0485 K(o=0.048,f=-4.1!) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.219 8.707 7.962 1.00 12.25 N ATOM 2 CA GLY A 1 -5.889 9.931 8.421 1.00 12.11 C ATOM 3 C GLY A 1 -5.682 11.033 7.409 1.00 11.59 C ATOM 4 O GLY A 1 -4.639 11.068 6.762 1.00 11.80 O ATOM 0 H1 GLY A 1 -5.930 7.972 7.773 1.00 12.25 H new ATOM 0 H2 GLY A 1 -4.688 8.908 7.091 1.00 12.25 H new ATOM 0 H3 GLY A 1 -4.564 8.373 8.697 1.00 12.25 H new ATOM 0 HA2 GLY A 1 -6.954 9.745 8.558 1.00 12.11 H new ATOM 0 HA3 GLY A 1 -5.491 10.234 9.390 1.00 12.11 H new ATOM 10 N SER A 2 -6.648 11.942 7.317 1.00 11.30 N ATOM 11 CA SER A 2 -6.555 13.172 6.556 1.00 11.10 C ATOM 12 C SER A 2 -6.892 14.300 7.533 1.00 11.51 C ATOM 13 O SER A 2 -6.100 14.549 8.442 1.00 12.44 O ATOM 14 CB SER A 2 -7.475 13.076 5.331 1.00 10.85 C ATOM 15 OG SER A 2 -8.741 12.587 5.731 1.00 10.94 O ATOM 0 H SER A 2 -7.546 11.834 7.789 1.00 11.30 H new ATOM 0 HA SER A 2 -5.564 13.367 6.146 1.00 11.10 H new ATOM 0 HB2 SER A 2 -7.582 14.056 4.865 1.00 10.85 H new ATOM 0 HB3 SER A 2 -7.037 12.414 4.584 1.00 10.85 H new ATOM 0 HG SER A 2 -8.690 11.617 5.863 1.00 10.94 H new ATOM 21 N LYS A 3 -8.086 14.896 7.424 1.00 11.32 N ATOM 22 CA LYS A 3 -8.554 16.037 8.216 1.00 11.88 C ATOM 23 C LYS A 3 -7.832 17.324 7.806 1.00 11.34 C ATOM 24 O LYS A 3 -6.790 17.286 7.155 1.00 10.78 O ATOM 25 CB LYS A 3 -8.484 15.747 9.734 1.00 13.00 C ATOM 26 CG LYS A 3 -7.353 16.491 10.473 1.00 13.37 C ATOM 27 CD LYS A 3 -6.945 15.816 11.784 1.00 14.53 C ATOM 28 CE LYS A 3 -6.264 14.481 11.468 1.00 14.72 C ATOM 29 NZ LYS A 3 -5.406 14.019 12.579 1.00 15.85 N ATOM 0 H LYS A 3 -8.783 14.580 6.750 1.00 11.32 H new ATOM 0 HA LYS A 3 -9.610 16.196 7.997 1.00 11.88 H new ATOM 0 HB2 LYS A 3 -9.437 16.018 10.188 1.00 13.00 H new ATOM 0 HB3 LYS A 3 -8.354 14.675 9.881 1.00 13.00 H new ATOM 0 HG2 LYS A 3 -6.483 16.557 9.820 1.00 13.37 H new ATOM 0 HG3 LYS A 3 -7.674 17.512 10.682 1.00 13.37 H new ATOM 0 HD2 LYS A 3 -6.268 16.461 12.344 1.00 14.53 H new ATOM 0 HD3 LYS A 3 -7.821 15.652 12.411 1.00 14.53 H new ATOM 0 HE2 LYS A 3 -7.023 13.727 11.259 1.00 14.72 H new ATOM 0 HE3 LYS A 3 -5.662 14.586 10.565 1.00 14.72 H new ATOM 0 HZ1 LYS A 3 -4.965 13.113 12.323 1.00 15.85 H new ATOM 0 HZ2 LYS A 3 -4.665 14.725 12.762 1.00 15.85 H new ATOM 0 HZ3 LYS A 3 -5.984 13.893 13.435 1.00 15.85 H new ATOM 43 N GLY A 4 -8.361 18.467 8.244 1.00 11.77 N ATOM 44 CA GLY A 4 -7.753 19.762 7.987 1.00 11.50 C ATOM 45 C GLY A 4 -8.384 20.413 6.772 1.00 10.94 C ATOM 46 O GLY A 4 -9.434 19.977 6.304 1.00 10.99 O ATOM 0 H GLY A 4 -9.223 18.515 8.787 1.00 11.77 H new ATOM 0 HA2 GLY A 4 -7.875 20.407 8.857 1.00 11.50 H new ATOM 0 HA3 GLY A 4 -6.681 19.642 7.827 1.00 11.50 H new ATOM 50 N VAL A 5 -7.751 21.480 6.287 1.00 10.66 N ATOM 51 CA VAL A 5 -8.084 22.085 5.020 1.00 10.23 C ATOM 52 C VAL A 5 -7.145 21.515 3.964 1.00 8.57 C ATOM 53 O VAL A 5 -6.497 20.503 4.211 1.00 7.82 O ATOM 54 CB VAL A 5 -7.982 23.608 5.145 1.00 11.11 C ATOM 55 CG1 VAL A 5 -8.962 24.096 6.214 1.00 12.75 C ATOM 56 CG2 VAL A 5 -6.586 24.145 5.486 1.00 10.85 C ATOM 0 H VAL A 5 -6.986 21.946 6.776 1.00 10.66 H new ATOM 0 HA VAL A 5 -9.108 21.860 4.721 1.00 10.23 H new ATOM 0 HB VAL A 5 -8.222 23.992 4.154 1.00 11.11 H new ATOM 0 HG11 VAL A 5 -8.891 25.180 6.305 1.00 12.75 H new ATOM 0 HG12 VAL A 5 -9.978 23.821 5.929 1.00 12.75 H new ATOM 0 HG13 VAL A 5 -8.716 23.635 7.171 1.00 12.75 H new ATOM 0 HG21 VAL A 5 -6.621 25.232 5.552 1.00 10.85 H new ATOM 0 HG22 VAL A 5 -6.261 23.734 6.442 1.00 10.85 H new ATOM 0 HG23 VAL A 5 -5.883 23.851 4.707 1.00 10.85 H new ATOM 66 N GLU A 6 -7.024 22.151 2.800 1.00 8.21 N ATOM 67 CA GLU A 6 -6.055 21.710 1.815 1.00 6.79 C ATOM 68 C GLU A 6 -4.663 22.246 2.143 1.00 6.22 C ATOM 69 O GLU A 6 -4.448 23.447 2.273 1.00 7.01 O ATOM 70 CB GLU A 6 -6.533 22.085 0.405 1.00 7.21 C ATOM 71 CG GLU A 6 -6.577 23.599 0.154 1.00 8.34 C ATOM 72 CD GLU A 6 -7.417 23.933 -1.076 1.00 9.27 C ATOM 73 OE1 GLU A 6 -6.846 23.902 -2.189 1.00 9.49 O ATOM 74 OE2 GLU A 6 -8.620 24.216 -0.882 1.00 10.15 O ATOM 0 H GLU A 6 -7.579 22.961 2.524 1.00 8.21 H new ATOM 0 HA GLU A 6 -5.973 20.624 1.845 1.00 6.79 H new ATOM 0 HB2 GLU A 6 -5.873 21.622 -0.329 1.00 7.21 H new ATOM 0 HB3 GLU A 6 -7.528 21.669 0.245 1.00 7.21 H new ATOM 0 HG2 GLU A 6 -6.991 24.103 1.027 1.00 8.34 H new ATOM 0 HG3 GLU A 6 -5.564 23.977 0.019 1.00 8.34 H new ATOM 81 N LEU A 7 -3.713 21.326 2.311 1.00 5.16 N ATOM 82 CA LEU A 7 -2.321 21.620 2.598 1.00 4.84 C ATOM 83 C LEU A 7 -1.435 20.440 2.200 1.00 3.51 C ATOM 84 O LEU A 7 -0.504 20.090 2.920 1.00 3.84 O ATOM 85 CB LEU A 7 -2.148 21.973 4.083 1.00 6.12 C ATOM 86 CG LEU A 7 -2.820 21.072 5.145 1.00 7.00 C ATOM 87 CD1 LEU A 7 -3.951 21.826 5.840 1.00 8.20 C ATOM 88 CD2 LEU A 7 -3.340 19.692 4.737 1.00 6.79 C ATOM 0 H LEU A 7 -3.904 20.326 2.248 1.00 5.16 H new ATOM 0 HA LEU A 7 -2.012 22.483 2.009 1.00 4.84 H new ATOM 0 HB2 LEU A 7 -1.079 21.993 4.295 1.00 6.12 H new ATOM 0 HB3 LEU A 7 -2.520 22.987 4.227 1.00 6.12 H new ATOM 0 HG LEU A 7 -1.976 20.844 5.796 1.00 7.00 H new ATOM 0 HD11 LEU A 7 -4.415 21.180 6.585 1.00 8.20 H new ATOM 0 HD12 LEU A 7 -3.550 22.714 6.329 1.00 8.20 H new ATOM 0 HD13 LEU A 7 -4.697 22.124 5.103 1.00 8.20 H new ATOM 0 HD21 LEU A 7 -3.780 19.198 5.604 1.00 6.79 H new ATOM 0 HD22 LEU A 7 -4.097 19.803 3.960 1.00 6.79 H new ATOM 0 HD23 LEU A 7 -2.515 19.090 4.356 1.00 6.79 H new ATOM 100 N ARG A 8 -1.741 19.789 1.073 1.00 2.52 N ATOM 101 CA ARG A 8 -1.047 18.599 0.565 1.00 1.73 C ATOM 102 C ARG A 8 -1.454 17.338 1.325 1.00 1.44 C ATOM 103 O ARG A 8 -1.898 16.376 0.706 1.00 1.25 O ATOM 104 CB ARG A 8 0.485 18.801 0.452 1.00 2.38 C ATOM 105 CG ARG A 8 1.328 17.998 1.460 1.00 3.66 C ATOM 106 CD ARG A 8 2.829 18.195 1.239 1.00 4.80 C ATOM 107 NE ARG A 8 3.568 16.963 1.563 1.00 6.39 N ATOM 108 CZ ARG A 8 4.859 16.871 1.901 1.00 8.06 C ATOM 109 NH1 ARG A 8 5.590 17.972 2.083 1.00 8.44 N ATOM 110 NH2 ARG A 8 5.419 15.670 2.051 1.00 9.62 N ATOM 0 H ARG A 8 -2.506 20.086 0.467 1.00 2.52 H new ATOM 0 HA ARG A 8 -1.380 18.445 -0.462 1.00 1.73 H new ATOM 0 HB2 ARG A 8 0.798 18.530 -0.556 1.00 2.38 H new ATOM 0 HB3 ARG A 8 0.706 19.861 0.580 1.00 2.38 H new ATOM 0 HG2 ARG A 8 1.068 18.303 2.474 1.00 3.66 H new ATOM 0 HG3 ARG A 8 1.085 16.939 1.373 1.00 3.66 H new ATOM 0 HD2 ARG A 8 3.015 18.475 0.202 1.00 4.80 H new ATOM 0 HD3 ARG A 8 3.189 19.015 1.860 1.00 4.80 H new ATOM 0 HE ARG A 8 3.041 16.090 1.526 1.00 6.39 H new ATOM 0 HH11 ARG A 8 5.165 18.892 1.965 1.00 8.44 H new ATOM 0 HH12 ARG A 8 6.574 17.894 2.341 1.00 8.44 H new ATOM 0 HH21 ARG A 8 4.863 14.827 1.908 1.00 9.62 H new ATOM 0 HH22 ARG A 8 6.403 15.595 2.309 1.00 9.62 H new ATOM 124 N ASN A 9 -1.308 17.332 2.653 1.00 1.47 N ATOM 125 CA ASN A 9 -1.617 16.188 3.501 1.00 1.36 C ATOM 126 C ASN A 9 -3.042 15.727 3.310 1.00 1.10 C ATOM 127 O ASN A 9 -3.328 14.543 3.428 1.00 1.02 O ATOM 128 CB ASN A 9 -1.401 16.523 4.980 1.00 1.59 C ATOM 129 CG ASN A 9 -0.025 16.060 5.432 1.00 1.93 C ATOM 130 OD1 ASN A 9 0.971 16.345 4.779 1.00 2.51 O ATOM 131 ND2 ASN A 9 0.056 15.336 6.541 1.00 2.24 N ATOM 0 H ASN A 9 -0.965 18.139 3.174 1.00 1.47 H new ATOM 0 HA ASN A 9 -0.939 15.387 3.206 1.00 1.36 H new ATOM 0 HB2 ASN A 9 -1.499 17.598 5.134 1.00 1.59 H new ATOM 0 HB3 ASN A 9 -2.170 16.043 5.585 1.00 1.59 H new ATOM 0 HD21 ASN A 9 0.963 15.003 6.868 1.00 2.24 H new ATOM 0 HD22 ASN A 9 -0.789 15.112 7.067 1.00 2.24 H new ATOM 138 N ASP A 10 -3.938 16.665 3.053 1.00 1.04 N ATOM 139 CA ASP A 10 -5.303 16.337 2.721 1.00 0.90 C ATOM 140 C ASP A 10 -5.361 15.500 1.449 1.00 0.74 C ATOM 141 O ASP A 10 -5.916 14.414 1.478 1.00 0.73 O ATOM 142 CB ASP A 10 -6.087 17.632 2.624 1.00 1.05 C ATOM 143 CG ASP A 10 -7.462 17.378 2.019 1.00 1.27 C ATOM 144 OD1 ASP A 10 -8.250 16.662 2.675 1.00 1.63 O ATOM 145 OD2 ASP A 10 -7.670 17.863 0.886 1.00 2.16 O ATOM 0 H ASP A 10 -3.737 17.665 3.070 1.00 1.04 H new ATOM 0 HA ASP A 10 -5.757 15.720 3.497 1.00 0.90 H new ATOM 0 HB2 ASP A 10 -6.195 18.074 3.615 1.00 1.05 H new ATOM 0 HB3 ASP A 10 -5.541 18.350 2.012 1.00 1.05 H new ATOM 150 N SER A 11 -4.743 15.934 0.350 1.00 0.78 N ATOM 151 CA SER A 11 -4.777 15.190 -0.901 1.00 0.73 C ATOM 152 C SER A 11 -4.200 13.782 -0.732 1.00 0.58 C ATOM 153 O SER A 11 -4.849 12.779 -1.037 1.00 0.51 O ATOM 154 CB SER A 11 -3.990 15.968 -1.961 1.00 0.96 C ATOM 155 OG SER A 11 -4.473 17.292 -2.050 1.00 1.54 O ATOM 0 H SER A 11 -4.211 16.803 0.305 1.00 0.78 H new ATOM 0 HA SER A 11 -5.814 15.078 -1.216 1.00 0.73 H new ATOM 0 HB2 SER A 11 -2.930 15.976 -1.705 1.00 0.96 H new ATOM 0 HB3 SER A 11 -4.081 15.474 -2.928 1.00 0.96 H new ATOM 0 HG SER A 11 -3.963 17.781 -2.729 1.00 1.54 H new ATOM 161 N GLU A 12 -2.952 13.706 -0.269 1.00 0.67 N ATOM 162 CA GLU A 12 -2.215 12.448 -0.201 1.00 0.69 C ATOM 163 C GLU A 12 -2.793 11.554 0.906 1.00 0.60 C ATOM 164 O GLU A 12 -2.766 10.323 0.820 1.00 0.65 O ATOM 165 CB GLU A 12 -0.711 12.746 -0.056 1.00 0.97 C ATOM 166 CG GLU A 12 -0.286 13.320 1.304 1.00 1.84 C ATOM 167 CD GLU A 12 0.257 12.243 2.246 1.00 2.80 C ATOM 168 OE1 GLU A 12 -0.518 11.334 2.616 1.00 3.95 O ATOM 169 OE2 GLU A 12 1.474 12.257 2.546 1.00 3.49 O ATOM 0 H GLU A 12 -2.427 14.513 0.068 1.00 0.67 H new ATOM 0 HA GLU A 12 -2.329 11.879 -1.124 1.00 0.69 H new ATOM 0 HB2 GLU A 12 -0.156 11.825 -0.233 1.00 0.97 H new ATOM 0 HB3 GLU A 12 -0.419 13.449 -0.836 1.00 0.97 H new ATOM 0 HG2 GLU A 12 0.477 14.084 1.151 1.00 1.84 H new ATOM 0 HG3 GLU A 12 -1.140 13.811 1.771 1.00 1.84 H new ATOM 176 N GLY A 13 -3.380 12.179 1.927 1.00 0.60 N ATOM 177 CA GLY A 13 -4.044 11.502 3.023 1.00 0.62 C ATOM 178 C GLY A 13 -5.371 10.913 2.566 1.00 0.50 C ATOM 179 O GLY A 13 -5.731 9.817 2.986 1.00 0.56 O ATOM 0 H GLY A 13 -3.403 13.195 2.010 1.00 0.60 H new ATOM 0 HA2 GLY A 13 -3.403 10.710 3.410 1.00 0.62 H new ATOM 0 HA3 GLY A 13 -4.214 12.203 3.841 1.00 0.62 H new ATOM 183 N PHE A 14 -6.103 11.613 1.697 1.00 0.48 N ATOM 184 CA PHE A 14 -7.421 11.194 1.245 1.00 0.52 C ATOM 185 C PHE A 14 -7.275 9.894 0.476 1.00 0.45 C ATOM 186 O PHE A 14 -7.886 8.890 0.823 1.00 0.53 O ATOM 187 CB PHE A 14 -8.084 12.284 0.388 1.00 0.61 C ATOM 188 CG PHE A 14 -9.592 12.169 0.328 1.00 0.94 C ATOM 189 CD1 PHE A 14 -10.364 12.794 1.324 1.00 2.17 C ATOM 190 CD2 PHE A 14 -10.226 11.463 -0.710 1.00 1.92 C ATOM 191 CE1 PHE A 14 -11.765 12.715 1.286 1.00 2.51 C ATOM 192 CE2 PHE A 14 -11.630 11.386 -0.750 1.00 2.31 C ATOM 193 CZ PHE A 14 -12.399 12.013 0.247 1.00 2.03 C ATOM 0 H PHE A 14 -5.791 12.493 1.287 1.00 0.48 H new ATOM 0 HA PHE A 14 -8.072 11.034 2.105 1.00 0.52 H new ATOM 0 HB2 PHE A 14 -7.818 13.262 0.788 1.00 0.61 H new ATOM 0 HB3 PHE A 14 -7.683 12.234 -0.624 1.00 0.61 H new ATOM 0 HD1 PHE A 14 -9.877 13.337 2.121 1.00 2.17 H new ATOM 0 HD2 PHE A 14 -9.636 10.981 -1.475 1.00 1.92 H new ATOM 0 HE1 PHE A 14 -12.355 13.193 2.054 1.00 2.51 H new ATOM 0 HE2 PHE A 14 -12.118 10.845 -1.547 1.00 2.31 H new ATOM 0 HZ PHE A 14 -13.477 11.955 0.214 1.00 2.03 H new ATOM 203 N ILE A 15 -6.420 9.880 -0.548 1.00 0.38 N ATOM 204 CA ILE A 15 -6.138 8.655 -1.288 1.00 0.38 C ATOM 205 C ILE A 15 -5.523 7.567 -0.409 1.00 0.34 C ATOM 206 O ILE A 15 -5.776 6.391 -0.657 1.00 0.37 O ATOM 207 CB ILE A 15 -5.233 8.904 -2.489 1.00 0.39 C ATOM 208 CG1 ILE A 15 -3.876 9.417 -2.001 1.00 0.40 C ATOM 209 CG2 ILE A 15 -5.907 9.813 -3.513 1.00 0.48 C ATOM 210 CD1 ILE A 15 -3.179 10.408 -2.918 1.00 0.52 C ATOM 0 H ILE A 15 -5.914 10.701 -0.881 1.00 0.38 H new ATOM 0 HA ILE A 15 -7.107 8.304 -1.644 1.00 0.38 H new ATOM 0 HB ILE A 15 -5.052 7.969 -3.020 1.00 0.39 H new ATOM 0 HG12 ILE A 15 -4.014 9.886 -1.027 1.00 0.40 H new ATOM 0 HG13 ILE A 15 -3.217 8.562 -1.852 1.00 0.40 H new ATOM 0 HG21 ILE A 15 -5.236 9.971 -4.357 1.00 0.48 H new ATOM 0 HG22 ILE A 15 -6.827 9.346 -3.864 1.00 0.48 H new ATOM 0 HG23 ILE A 15 -6.140 10.772 -3.050 1.00 0.48 H new ATOM 0 HD11 ILE A 15 -2.228 10.706 -2.476 1.00 0.52 H new ATOM 0 HD12 ILE A 15 -2.999 9.943 -3.887 1.00 0.52 H new ATOM 0 HD13 ILE A 15 -3.809 11.288 -3.049 1.00 0.52 H new ATOM 222 N HIS A 16 -4.694 7.920 0.584 1.00 0.33 N ATOM 223 CA HIS A 16 -4.130 6.921 1.484 1.00 0.33 C ATOM 224 C HIS A 16 -5.307 6.169 2.108 1.00 0.36 C ATOM 225 O HIS A 16 -5.408 4.947 2.033 1.00 0.37 O ATOM 226 CB HIS A 16 -3.221 7.601 2.533 1.00 0.38 C ATOM 227 CG HIS A 16 -2.684 6.735 3.660 1.00 0.41 C ATOM 228 ND1 HIS A 16 -1.349 6.519 3.956 1.00 0.50 N ATOM 229 CD2 HIS A 16 -3.424 6.195 4.678 1.00 0.49 C ATOM 230 CE1 HIS A 16 -1.286 5.849 5.124 1.00 0.51 C ATOM 231 NE2 HIS A 16 -2.534 5.639 5.584 1.00 0.52 N ATOM 0 H HIS A 16 -4.406 8.879 0.778 1.00 0.33 H new ATOM 0 HA HIS A 16 -3.493 6.210 0.958 1.00 0.33 H new ATOM 0 HB2 HIS A 16 -2.371 8.037 2.009 1.00 0.38 H new ATOM 0 HB3 HIS A 16 -3.778 8.425 2.978 1.00 0.38 H new ATOM 0 HD2 HIS A 16 -4.501 6.201 4.760 1.00 0.49 H new ATOM 0 HE1 HIS A 16 -0.378 5.531 5.614 1.00 0.51 H new ATOM 0 HE2 HIS A 16 -2.781 5.156 6.448 1.00 0.52 H new ATOM 240 N GLU A 17 -6.223 6.908 2.727 1.00 0.41 N ATOM 241 CA GLU A 17 -7.399 6.338 3.359 1.00 0.47 C ATOM 242 C GLU A 17 -8.295 5.633 2.353 1.00 0.47 C ATOM 243 O GLU A 17 -8.899 4.630 2.706 1.00 0.51 O ATOM 244 CB GLU A 17 -8.148 7.412 4.154 1.00 0.60 C ATOM 245 CG GLU A 17 -7.294 7.695 5.389 1.00 0.84 C ATOM 246 CD GLU A 17 -7.938 8.628 6.404 1.00 1.41 C ATOM 247 OE1 GLU A 17 -8.229 9.798 6.073 1.00 1.86 O ATOM 248 OE2 GLU A 17 -7.895 8.223 7.586 1.00 2.63 O ATOM 0 H GLU A 17 -6.166 7.924 2.802 1.00 0.41 H new ATOM 0 HA GLU A 17 -7.073 5.572 4.062 1.00 0.47 H new ATOM 0 HB2 GLU A 17 -8.284 8.315 3.558 1.00 0.60 H new ATOM 0 HB3 GLU A 17 -9.142 7.065 4.438 1.00 0.60 H new ATOM 0 HG2 GLU A 17 -7.063 6.749 5.880 1.00 0.84 H new ATOM 0 HG3 GLU A 17 -6.346 8.127 5.068 1.00 0.84 H new ATOM 255 N PHE A 18 -8.355 6.096 1.107 1.00 0.48 N ATOM 256 CA PHE A 18 -9.140 5.451 0.069 1.00 0.57 C ATOM 257 C PHE A 18 -8.659 4.018 -0.120 1.00 0.53 C ATOM 258 O PHE A 18 -9.458 3.089 -0.054 1.00 0.57 O ATOM 259 CB PHE A 18 -9.064 6.270 -1.224 1.00 0.67 C ATOM 260 CG PHE A 18 -10.199 6.003 -2.187 1.00 0.71 C ATOM 261 CD1 PHE A 18 -11.410 6.703 -2.038 1.00 1.85 C ATOM 262 CD2 PHE A 18 -10.049 5.077 -3.236 1.00 1.79 C ATOM 263 CE1 PHE A 18 -12.465 6.489 -2.941 1.00 1.95 C ATOM 264 CE2 PHE A 18 -11.103 4.866 -4.141 1.00 2.17 C ATOM 265 CZ PHE A 18 -12.309 5.573 -3.997 1.00 1.54 C ATOM 0 H PHE A 18 -7.859 6.930 0.793 1.00 0.48 H new ATOM 0 HA PHE A 18 -10.189 5.407 0.362 1.00 0.57 H new ATOM 0 HB2 PHE A 18 -9.057 7.330 -0.971 1.00 0.67 H new ATOM 0 HB3 PHE A 18 -8.119 6.055 -1.723 1.00 0.67 H new ATOM 0 HD1 PHE A 18 -11.529 7.407 -1.227 1.00 1.85 H new ATOM 0 HD2 PHE A 18 -9.125 4.529 -3.345 1.00 1.79 H new ATOM 0 HE1 PHE A 18 -13.394 7.027 -2.824 1.00 1.95 H new ATOM 0 HE2 PHE A 18 -10.986 4.159 -4.949 1.00 2.17 H new ATOM 0 HZ PHE A 18 -13.116 5.413 -4.697 1.00 1.54 H new ATOM 275 N GLY A 19 -7.348 3.820 -0.282 1.00 0.50 N ATOM 276 CA GLY A 19 -6.766 2.485 -0.340 1.00 0.55 C ATOM 277 C GLY A 19 -7.208 1.642 0.856 1.00 0.45 C ATOM 278 O GLY A 19 -7.559 0.473 0.714 1.00 0.42 O ATOM 0 H GLY A 19 -6.669 4.576 -0.375 1.00 0.50 H new ATOM 0 HA2 GLY A 19 -7.065 1.994 -1.266 1.00 0.55 H new ATOM 0 HA3 GLY A 19 -5.679 2.559 -0.355 1.00 0.55 H new ATOM 282 N HIS A 20 -7.209 2.236 2.049 1.00 0.43 N ATOM 283 CA HIS A 20 -7.562 1.527 3.267 1.00 0.45 C ATOM 284 C HIS A 20 -9.008 1.046 3.237 1.00 0.41 C ATOM 285 O HIS A 20 -9.276 -0.122 3.497 1.00 0.46 O ATOM 286 CB HIS A 20 -7.287 2.441 4.468 1.00 0.61 C ATOM 287 CG HIS A 20 -7.163 1.717 5.779 1.00 0.53 C ATOM 288 ND1 HIS A 20 -6.079 1.781 6.632 1.00 0.62 N ATOM 289 CD2 HIS A 20 -8.120 0.930 6.353 1.00 1.55 C ATOM 290 CE1 HIS A 20 -6.392 1.070 7.730 1.00 0.79 C ATOM 291 NE2 HIS A 20 -7.621 0.530 7.578 1.00 1.70 N ATOM 0 H HIS A 20 -6.966 3.216 2.193 1.00 0.43 H new ATOM 0 HA HIS A 20 -6.948 0.631 3.355 1.00 0.45 H new ATOM 0 HB2 HIS A 20 -6.367 2.996 4.284 1.00 0.61 H new ATOM 0 HB3 HIS A 20 -8.091 3.173 4.545 1.00 0.61 H new ATOM 0 HD2 HIS A 20 -9.080 0.671 5.932 1.00 1.55 H new ATOM 0 HE1 HIS A 20 -5.760 0.950 8.597 1.00 0.79 H new ATOM 0 HE2 HIS A 20 -8.098 -0.069 8.251 1.00 1.70 H new ATOM 300 N ALA A 21 -9.954 1.943 2.972 1.00 0.53 N ATOM 301 CA ALA A 21 -11.367 1.615 2.928 1.00 0.71 C ATOM 302 C ALA A 21 -11.643 0.626 1.798 1.00 0.65 C ATOM 303 O ALA A 21 -12.578 -0.166 1.873 1.00 0.70 O ATOM 304 CB ALA A 21 -12.180 2.900 2.753 1.00 1.02 C ATOM 0 H ALA A 21 -9.755 2.925 2.781 1.00 0.53 H new ATOM 0 HA ALA A 21 -11.664 1.141 3.863 1.00 0.71 H new ATOM 0 HB1 ALA A 21 -13.242 2.657 2.720 1.00 1.02 H new ATOM 0 HB2 ALA A 21 -11.987 3.570 3.591 1.00 1.02 H new ATOM 0 HB3 ALA A 21 -11.891 3.390 1.823 1.00 1.02 H new ATOM 310 N VAL A 22 -10.829 0.639 0.744 1.00 0.67 N ATOM 311 CA VAL A 22 -11.006 -0.323 -0.331 1.00 0.82 C ATOM 312 C VAL A 22 -10.663 -1.717 0.169 1.00 0.71 C ATOM 313 O VAL A 22 -11.401 -2.672 -0.092 1.00 0.82 O ATOM 314 CB VAL A 22 -10.195 0.117 -1.564 1.00 1.06 C ATOM 315 CG1 VAL A 22 -10.005 -1.001 -2.594 1.00 1.14 C ATOM 316 CG2 VAL A 22 -10.896 1.296 -2.250 1.00 1.25 C ATOM 0 H VAL A 22 -10.057 1.293 0.616 1.00 0.67 H new ATOM 0 HA VAL A 22 -12.048 -0.359 -0.650 1.00 0.82 H new ATOM 0 HB VAL A 22 -9.208 0.400 -1.198 1.00 1.06 H new ATOM 0 HG11 VAL A 22 -9.426 -0.624 -3.437 1.00 1.14 H new ATOM 0 HG12 VAL A 22 -9.475 -1.834 -2.133 1.00 1.14 H new ATOM 0 HG13 VAL A 22 -10.979 -1.341 -2.946 1.00 1.14 H new ATOM 0 HG21 VAL A 22 -10.319 1.605 -3.122 1.00 1.25 H new ATOM 0 HG22 VAL A 22 -11.895 0.993 -2.564 1.00 1.25 H new ATOM 0 HG23 VAL A 22 -10.973 2.130 -1.552 1.00 1.25 H new ATOM 326 N ASP A 23 -9.584 -1.842 0.937 1.00 0.60 N ATOM 327 CA ASP A 23 -9.245 -3.129 1.516 1.00 0.74 C ATOM 328 C ASP A 23 -10.292 -3.592 2.519 1.00 0.53 C ATOM 329 O ASP A 23 -10.394 -4.781 2.808 1.00 0.62 O ATOM 330 CB ASP A 23 -7.883 -3.085 2.194 1.00 1.00 C ATOM 331 CG ASP A 23 -7.262 -4.473 2.103 1.00 1.48 C ATOM 332 OD1 ASP A 23 -6.991 -4.884 0.954 1.00 2.80 O ATOM 333 OD2 ASP A 23 -7.123 -5.132 3.156 1.00 1.78 O ATOM 0 H ASP A 23 -8.944 -1.082 1.167 1.00 0.60 H new ATOM 0 HA ASP A 23 -9.214 -3.843 0.693 1.00 0.74 H new ATOM 0 HB2 ASP A 23 -7.241 -2.349 1.710 1.00 1.00 H new ATOM 0 HB3 ASP A 23 -7.986 -2.782 3.236 1.00 1.00 H new ATOM 338 N ASP A 24 -11.090 -2.659 3.045 1.00 0.40 N ATOM 339 CA ASP A 24 -12.092 -2.991 4.044 1.00 0.54 C ATOM 340 C ASP A 24 -13.108 -3.920 3.400 1.00 0.56 C ATOM 341 O ASP A 24 -13.378 -5.014 3.886 1.00 0.67 O ATOM 342 CB ASP A 24 -12.768 -1.740 4.602 1.00 0.73 C ATOM 343 CG ASP A 24 -13.633 -2.109 5.799 1.00 1.11 C ATOM 344 OD1 ASP A 24 -13.026 -2.450 6.836 1.00 2.22 O ATOM 345 OD2 ASP A 24 -14.873 -2.028 5.656 1.00 1.57 O ATOM 0 H ASP A 24 -11.057 -1.671 2.792 1.00 0.40 H new ATOM 0 HA ASP A 24 -11.614 -3.486 4.890 1.00 0.54 H new ATOM 0 HB2 ASP A 24 -12.014 -1.010 4.898 1.00 0.73 H new ATOM 0 HB3 ASP A 24 -13.380 -1.272 3.831 1.00 0.73 H new ATOM 350 N TYR A 25 -13.591 -3.512 2.225 1.00 0.58 N ATOM 351 CA TYR A 25 -14.456 -4.331 1.393 1.00 0.73 C ATOM 352 C TYR A 25 -13.813 -5.674 1.085 1.00 0.69 C ATOM 353 O TYR A 25 -14.487 -6.703 1.104 1.00 0.77 O ATOM 354 CB TYR A 25 -14.800 -3.590 0.096 1.00 0.90 C ATOM 355 CG TYR A 25 -16.282 -3.347 -0.010 1.00 1.56 C ATOM 356 CD1 TYR A 25 -17.131 -4.417 -0.339 1.00 1.32 C ATOM 357 CD2 TYR A 25 -16.818 -2.089 0.313 1.00 3.40 C ATOM 358 CE1 TYR A 25 -18.522 -4.230 -0.360 1.00 1.77 C ATOM 359 CE2 TYR A 25 -18.207 -1.887 0.278 1.00 4.34 C ATOM 360 CZ TYR A 25 -19.066 -2.960 -0.062 1.00 3.33 C ATOM 361 OH TYR A 25 -20.416 -2.781 -0.098 1.00 4.22 O ATOM 0 H TYR A 25 -13.388 -2.595 1.826 1.00 0.58 H new ATOM 0 HA TYR A 25 -15.376 -4.521 1.945 1.00 0.73 H new ATOM 0 HB2 TYR A 25 -14.269 -2.639 0.065 1.00 0.90 H new ATOM 0 HB3 TYR A 25 -14.461 -4.173 -0.761 1.00 0.90 H new ATOM 0 HD1 TYR A 25 -16.713 -5.384 -0.576 1.00 1.32 H new ATOM 0 HD2 TYR A 25 -16.161 -1.277 0.588 1.00 3.40 H new ATOM 0 HE1 TYR A 25 -19.175 -5.055 -0.603 1.00 1.77 H new ATOM 0 HE2 TYR A 25 -18.619 -0.916 0.510 1.00 4.34 H new ATOM 0 HH TYR A 25 -20.629 -1.853 0.132 1.00 4.22 H new ATOM 371 N ALA A 26 -12.523 -5.678 0.753 1.00 0.67 N ATOM 372 CA ALA A 26 -11.860 -6.932 0.458 1.00 0.77 C ATOM 373 C ALA A 26 -11.928 -7.876 1.660 1.00 0.76 C ATOM 374 O ALA A 26 -12.163 -9.059 1.464 1.00 0.88 O ATOM 375 CB ALA A 26 -10.427 -6.690 -0.014 1.00 0.85 C ATOM 0 H ALA A 26 -11.935 -4.847 0.684 1.00 0.67 H new ATOM 0 HA ALA A 26 -12.385 -7.422 -0.362 1.00 0.77 H new ATOM 0 HB1 ALA A 26 -9.949 -7.645 -0.230 1.00 0.85 H new ATOM 0 HB2 ALA A 26 -10.439 -6.079 -0.916 1.00 0.85 H new ATOM 0 HB3 ALA A 26 -9.869 -6.173 0.767 1.00 0.85 H new ATOM 381 N GLY A 27 -11.770 -7.377 2.885 1.00 0.73 N ATOM 382 CA GLY A 27 -11.777 -8.206 4.083 1.00 0.90 C ATOM 383 C GLY A 27 -13.183 -8.694 4.405 1.00 0.95 C ATOM 384 O GLY A 27 -13.387 -9.837 4.801 1.00 1.20 O ATOM 0 H GLY A 27 -11.633 -6.384 3.072 1.00 0.73 H new ATOM 0 HA2 GLY A 27 -11.116 -9.061 3.941 1.00 0.90 H new ATOM 0 HA3 GLY A 27 -11.385 -7.636 4.925 1.00 0.90 H new ATOM 388 N TYR A 28 -14.178 -7.825 4.243 1.00 0.89 N ATOM 389 CA TYR A 28 -15.546 -8.160 4.597 1.00 1.05 C ATOM 390 C TYR A 28 -16.016 -9.355 3.771 1.00 1.10 C ATOM 391 O TYR A 28 -16.652 -10.275 4.279 1.00 1.29 O ATOM 392 CB TYR A 28 -16.454 -6.934 4.418 1.00 1.11 C ATOM 393 CG TYR A 28 -17.385 -6.764 5.594 1.00 1.45 C ATOM 394 CD1 TYR A 28 -18.614 -7.449 5.633 1.00 1.57 C ATOM 395 CD2 TYR A 28 -16.975 -5.984 6.690 1.00 1.85 C ATOM 396 CE1 TYR A 28 -19.442 -7.338 6.764 1.00 1.94 C ATOM 397 CE2 TYR A 28 -17.793 -5.874 7.825 1.00 2.27 C ATOM 398 CZ TYR A 28 -19.033 -6.550 7.866 1.00 2.26 C ATOM 399 OH TYR A 28 -19.832 -6.463 8.967 1.00 2.68 O ATOM 0 H TYR A 28 -14.058 -6.884 3.868 1.00 0.89 H new ATOM 0 HA TYR A 28 -15.596 -8.447 5.647 1.00 1.05 H new ATOM 0 HB2 TYR A 28 -15.842 -6.039 4.304 1.00 1.11 H new ATOM 0 HB3 TYR A 28 -17.036 -7.041 3.503 1.00 1.11 H new ATOM 0 HD1 TYR A 28 -18.920 -8.059 4.796 1.00 1.57 H new ATOM 0 HD2 TYR A 28 -16.027 -5.468 6.658 1.00 1.85 H new ATOM 0 HE1 TYR A 28 -20.390 -7.854 6.792 1.00 1.94 H new ATOM 0 HE2 TYR A 28 -17.475 -5.274 8.665 1.00 2.27 H new ATOM 0 HH TYR A 28 -19.407 -5.885 9.634 1.00 2.68 H new ATOM 409 N LEU A 29 -15.719 -9.323 2.472 1.00 1.03 N ATOM 410 CA LEU A 29 -16.078 -10.370 1.543 1.00 1.19 C ATOM 411 C LEU A 29 -15.127 -11.563 1.617 1.00 1.27 C ATOM 412 O LEU A 29 -15.562 -12.688 1.374 1.00 1.46 O ATOM 413 CB LEU A 29 -16.057 -9.786 0.132 1.00 1.20 C ATOM 414 CG LEU A 29 -17.273 -8.884 -0.180 1.00 1.30 C ATOM 415 CD1 LEU A 29 -18.514 -9.759 -0.288 1.00 1.51 C ATOM 416 CD2 LEU A 29 -17.638 -7.802 0.840 1.00 1.24 C ATOM 0 H LEU A 29 -15.213 -8.551 2.038 1.00 1.03 H new ATOM 0 HA LEU A 29 -17.071 -10.736 1.804 1.00 1.19 H new ATOM 0 HB2 LEU A 29 -15.142 -9.208 0.000 1.00 1.20 H new ATOM 0 HB3 LEU A 29 -16.025 -10.602 -0.590 1.00 1.20 H new ATOM 0 HG LEU A 29 -16.968 -8.368 -1.090 1.00 1.30 H new ATOM 0 HD11 LEU A 29 -19.381 -9.136 -0.508 1.00 1.51 H new ATOM 0 HD12 LEU A 29 -18.378 -10.487 -1.088 1.00 1.51 H new ATOM 0 HD13 LEU A 29 -18.673 -10.282 0.655 1.00 1.51 H new ATOM 0 HD21 LEU A 29 -18.509 -7.249 0.488 1.00 1.24 H new ATOM 0 HD22 LEU A 29 -17.867 -8.268 1.799 1.00 1.24 H new ATOM 0 HD23 LEU A 29 -16.798 -7.117 0.960 1.00 1.24 H new ATOM 428 N LEU A 30 -13.833 -11.337 1.860 1.00 1.20 N ATOM 429 CA LEU A 30 -12.807 -12.360 1.702 1.00 1.36 C ATOM 430 C LEU A 30 -12.028 -12.459 3.021 1.00 1.54 C ATOM 431 O LEU A 30 -11.388 -11.493 3.412 1.00 2.11 O ATOM 432 CB LEU A 30 -11.854 -12.036 0.535 1.00 1.34 C ATOM 433 CG LEU A 30 -12.544 -11.764 -0.817 1.00 1.38 C ATOM 434 CD1 LEU A 30 -11.807 -10.656 -1.572 1.00 1.41 C ATOM 435 CD2 LEU A 30 -12.564 -13.016 -1.696 1.00 1.62 C ATOM 0 H LEU A 30 -13.471 -10.436 2.172 1.00 1.20 H new ATOM 0 HA LEU A 30 -13.281 -13.313 1.466 1.00 1.36 H new ATOM 0 HB2 LEU A 30 -11.259 -11.163 0.804 1.00 1.34 H new ATOM 0 HB3 LEU A 30 -11.161 -12.868 0.411 1.00 1.34 H new ATOM 0 HG LEU A 30 -13.569 -11.461 -0.603 1.00 1.38 H new ATOM 0 HD11 LEU A 30 -12.303 -10.473 -2.525 1.00 1.41 H new ATOM 0 HD12 LEU A 30 -11.815 -9.743 -0.977 1.00 1.41 H new ATOM 0 HD13 LEU A 30 -10.777 -10.962 -1.753 1.00 1.41 H new ATOM 0 HD21 LEU A 30 -13.057 -12.789 -2.641 1.00 1.62 H new ATOM 0 HD22 LEU A 30 -11.542 -13.341 -1.889 1.00 1.62 H new ATOM 0 HD23 LEU A 30 -13.107 -13.811 -1.185 1.00 1.62 H new ATOM 447 N ASP A 31 -12.067 -13.625 3.678 1.00 1.88 N ATOM 448 CA ASP A 31 -11.630 -13.852 5.067 1.00 2.06 C ATOM 449 C ASP A 31 -12.564 -13.146 6.053 1.00 2.07 C ATOM 450 O ASP A 31 -12.197 -12.186 6.721 1.00 3.34 O ATOM 451 CB ASP A 31 -10.146 -13.525 5.318 1.00 3.33 C ATOM 452 CG ASP A 31 -9.671 -14.041 6.687 1.00 3.93 C ATOM 453 OD1 ASP A 31 -10.371 -14.898 7.282 1.00 4.32 O ATOM 454 OD2 ASP A 31 -8.580 -13.620 7.126 1.00 4.65 O ATOM 0 H ASP A 31 -12.419 -14.476 3.239 1.00 1.88 H new ATOM 0 HA ASP A 31 -11.704 -14.925 5.243 1.00 2.06 H new ATOM 0 HB2 ASP A 31 -9.538 -13.970 4.531 1.00 3.33 H new ATOM 0 HB3 ASP A 31 -9.997 -12.447 5.265 1.00 3.33 H new ATOM 459 N LYS A 32 -13.799 -13.653 6.144 1.00 2.60 N ATOM 460 CA LYS A 32 -14.849 -13.126 7.012 1.00 3.87 C ATOM 461 C LYS A 32 -14.525 -13.388 8.488 1.00 3.83 C ATOM 462 O LYS A 32 -15.091 -14.287 9.107 1.00 4.48 O ATOM 463 CB LYS A 32 -16.203 -13.732 6.601 1.00 5.35 C ATOM 464 CG LYS A 32 -16.259 -15.269 6.729 1.00 5.47 C ATOM 465 CD LYS A 32 -16.461 -15.980 5.390 1.00 6.08 C ATOM 466 CE LYS A 32 -16.391 -17.496 5.610 1.00 6.31 C ATOM 467 NZ LYS A 32 -17.609 -18.025 6.261 1.00 7.22 N ATOM 0 H LYS A 32 -14.100 -14.462 5.600 1.00 2.60 H new ATOM 0 HA LYS A 32 -14.908 -12.044 6.894 1.00 3.87 H new ATOM 0 HB2 LYS A 32 -16.989 -13.296 7.218 1.00 5.35 H new ATOM 0 HB3 LYS A 32 -16.417 -13.454 5.569 1.00 5.35 H new ATOM 0 HG2 LYS A 32 -15.334 -15.623 7.185 1.00 5.47 H new ATOM 0 HG3 LYS A 32 -17.071 -15.541 7.403 1.00 5.47 H new ATOM 0 HD2 LYS A 32 -17.425 -15.707 4.961 1.00 6.08 H new ATOM 0 HD3 LYS A 32 -15.696 -15.668 4.679 1.00 6.08 H new ATOM 0 HE2 LYS A 32 -16.249 -17.994 4.651 1.00 6.31 H new ATOM 0 HE3 LYS A 32 -15.522 -17.732 6.224 1.00 6.31 H new ATOM 0 HZ1 LYS A 32 -17.537 -19.059 6.343 1.00 7.22 H new ATOM 0 HZ2 LYS A 32 -17.705 -17.608 7.209 1.00 7.22 H new ATOM 0 HZ3 LYS A 32 -18.443 -17.780 5.689 1.00 7.22 H new ATOM 481 N ASN A 33 -13.603 -12.622 9.060 1.00 3.76 N ATOM 482 CA ASN A 33 -12.958 -12.965 10.317 1.00 3.85 C ATOM 483 C ASN A 33 -13.198 -11.847 11.327 1.00 3.91 C ATOM 484 O ASN A 33 -13.724 -10.798 10.971 1.00 4.48 O ATOM 485 CB ASN A 33 -11.467 -13.177 10.023 1.00 4.55 C ATOM 486 CG ASN A 33 -10.844 -14.250 10.895 1.00 5.20 C ATOM 487 OD1 ASN A 33 -11.028 -14.252 12.109 1.00 5.51 O ATOM 488 ND2 ASN A 33 -10.112 -15.173 10.287 1.00 6.05 N ATOM 0 H ASN A 33 -13.282 -11.740 8.660 1.00 3.76 H new ATOM 0 HA ASN A 33 -13.366 -13.878 10.750 1.00 3.85 H new ATOM 0 HB2 ASN A 33 -11.343 -13.449 8.975 1.00 4.55 H new ATOM 0 HB3 ASN A 33 -10.934 -12.238 10.174 1.00 4.55 H new ATOM 0 HD21 ASN A 33 -9.678 -15.919 10.830 1.00 6.05 H new ATOM 0 HD22 ASN A 33 -9.983 -15.137 9.276 1.00 6.05 H new ATOM 495 N GLN A 34 -12.800 -12.032 12.587 1.00 4.07 N ATOM 496 CA GLN A 34 -12.864 -10.937 13.550 1.00 4.49 C ATOM 497 C GLN A 34 -11.884 -9.817 13.187 1.00 4.06 C ATOM 498 O GLN A 34 -12.021 -8.698 13.672 1.00 4.61 O ATOM 499 CB GLN A 34 -12.608 -11.435 14.978 1.00 5.59 C ATOM 500 CG GLN A 34 -11.221 -12.065 15.165 1.00 6.20 C ATOM 501 CD GLN A 34 -10.918 -12.275 16.644 1.00 7.02 C ATOM 502 OE1 GLN A 34 -11.376 -13.230 17.257 1.00 7.36 O ATOM 503 NE2 GLN A 34 -10.147 -11.380 17.250 1.00 7.79 N ATOM 0 H GLN A 34 -12.438 -12.911 12.957 1.00 4.07 H new ATOM 0 HA GLN A 34 -13.874 -10.529 13.509 1.00 4.49 H new ATOM 0 HB2 GLN A 34 -12.716 -10.600 15.671 1.00 5.59 H new ATOM 0 HB3 GLN A 34 -13.370 -12.168 15.241 1.00 5.59 H new ATOM 0 HG2 GLN A 34 -11.176 -13.020 14.641 1.00 6.20 H new ATOM 0 HG3 GLN A 34 -10.461 -11.422 14.721 1.00 6.20 H new ATOM 0 HE21 GLN A 34 -9.773 -10.590 16.725 1.00 7.79 H new ATOM 0 HE22 GLN A 34 -9.928 -11.483 18.241 1.00 7.79 H new ATOM 512 N SER A 35 -10.860 -10.126 12.388 1.00 3.58 N ATOM 513 CA SER A 35 -9.945 -9.136 11.861 1.00 3.57 C ATOM 514 C SER A 35 -10.484 -8.724 10.496 1.00 2.85 C ATOM 515 O SER A 35 -10.555 -9.566 9.602 1.00 3.41 O ATOM 516 CB SER A 35 -8.548 -9.758 11.747 1.00 4.52 C ATOM 517 OG SER A 35 -7.555 -8.783 11.987 1.00 5.58 O ATOM 0 H SER A 35 -10.649 -11.079 12.092 1.00 3.58 H new ATOM 0 HA SER A 35 -9.865 -8.262 12.507 1.00 3.57 H new ATOM 0 HB2 SER A 35 -8.446 -10.574 12.463 1.00 4.52 H new ATOM 0 HB3 SER A 35 -8.414 -10.187 10.754 1.00 4.52 H new ATOM 0 HG SER A 35 -6.668 -9.194 11.913 1.00 5.58 H new ATOM 523 N ASP A 36 -10.892 -7.464 10.343 1.00 2.57 N ATOM 524 CA ASP A 36 -11.271 -6.916 9.043 1.00 2.64 C ATOM 525 C ASP A 36 -10.018 -6.726 8.178 1.00 2.07 C ATOM 526 O ASP A 36 -8.898 -6.896 8.660 1.00 2.97 O ATOM 527 CB ASP A 36 -12.004 -5.579 9.228 1.00 4.10 C ATOM 528 CG ASP A 36 -13.397 -5.766 9.824 1.00 4.95 C ATOM 529 OD1 ASP A 36 -14.270 -6.277 9.087 1.00 5.76 O ATOM 530 OD2 ASP A 36 -13.565 -5.399 11.009 1.00 5.55 O ATOM 0 H ASP A 36 -10.968 -6.799 11.113 1.00 2.57 H new ATOM 0 HA ASP A 36 -11.944 -7.612 8.541 1.00 2.64 H new ATOM 0 HB2 ASP A 36 -11.416 -4.931 9.878 1.00 4.10 H new ATOM 0 HB3 ASP A 36 -12.087 -5.075 8.265 1.00 4.10 H new ATOM 535 N LEU A 37 -10.225 -6.320 6.917 1.00 1.94 N ATOM 536 CA LEU A 37 -9.230 -6.186 5.848 1.00 1.49 C ATOM 537 C LEU A 37 -8.728 -7.548 5.367 1.00 1.28 C ATOM 538 O LEU A 37 -8.689 -8.515 6.118 1.00 1.50 O ATOM 539 CB LEU A 37 -8.049 -5.275 6.229 1.00 1.50 C ATOM 540 CG LEU A 37 -8.392 -3.783 6.146 1.00 2.09 C ATOM 541 CD1 LEU A 37 -9.042 -3.269 7.435 1.00 2.27 C ATOM 542 CD2 LEU A 37 -7.088 -3.019 5.926 1.00 2.79 C ATOM 0 H LEU A 37 -11.158 -6.059 6.597 1.00 1.94 H new ATOM 0 HA LEU A 37 -9.750 -5.699 5.023 1.00 1.49 H new ATOM 0 HB2 LEU A 37 -7.727 -5.512 7.243 1.00 1.50 H new ATOM 0 HB3 LEU A 37 -7.207 -5.486 5.569 1.00 1.50 H new ATOM 0 HG LEU A 37 -9.101 -3.634 5.331 1.00 2.09 H new ATOM 0 HD11 LEU A 37 -9.268 -2.208 7.331 1.00 2.27 H new ATOM 0 HD12 LEU A 37 -9.964 -3.819 7.622 1.00 2.27 H new ATOM 0 HD13 LEU A 37 -8.357 -3.414 8.271 1.00 2.27 H new ATOM 0 HD21 LEU A 37 -7.298 -1.951 5.862 1.00 2.79 H new ATOM 0 HD22 LEU A 37 -6.411 -3.207 6.760 1.00 2.79 H new ATOM 0 HD23 LEU A 37 -6.623 -3.353 4.999 1.00 2.79 H new ATOM 554 N VAL A 38 -8.278 -7.632 4.112 1.00 1.20 N ATOM 555 CA VAL A 38 -7.741 -8.879 3.570 1.00 1.27 C ATOM 556 C VAL A 38 -6.218 -8.907 3.763 1.00 1.53 C ATOM 557 O VAL A 38 -5.474 -9.484 2.971 1.00 2.20 O ATOM 558 CB VAL A 38 -8.212 -9.061 2.115 1.00 1.27 C ATOM 559 CG1 VAL A 38 -7.492 -8.144 1.123 1.00 1.60 C ATOM 560 CG2 VAL A 38 -8.126 -10.526 1.674 1.00 1.61 C ATOM 0 H VAL A 38 -8.276 -6.852 3.455 1.00 1.20 H new ATOM 0 HA VAL A 38 -8.126 -9.744 4.111 1.00 1.27 H new ATOM 0 HB VAL A 38 -9.260 -8.760 2.104 1.00 1.27 H new ATOM 0 HG11 VAL A 38 -7.873 -8.325 0.118 1.00 1.60 H new ATOM 0 HG12 VAL A 38 -7.668 -7.103 1.396 1.00 1.60 H new ATOM 0 HG13 VAL A 38 -6.422 -8.350 1.148 1.00 1.60 H new ATOM 0 HG21 VAL A 38 -8.466 -10.616 0.642 1.00 1.61 H new ATOM 0 HG22 VAL A 38 -7.094 -10.868 1.747 1.00 1.61 H new ATOM 0 HG23 VAL A 38 -8.757 -11.138 2.319 1.00 1.61 H new ATOM 570 N THR A 39 -5.739 -8.313 4.860 1.00 1.51 N ATOM 571 CA THR A 39 -4.328 -8.263 5.207 1.00 1.72 C ATOM 572 C THR A 39 -3.728 -9.667 5.177 1.00 2.01 C ATOM 573 O THR A 39 -2.616 -9.861 4.690 1.00 2.84 O ATOM 574 CB THR A 39 -4.171 -7.560 6.564 1.00 2.07 C ATOM 575 OG1 THR A 39 -2.822 -7.365 6.906 1.00 2.80 O ATOM 576 CG2 THR A 39 -4.850 -8.286 7.730 1.00 2.78 C ATOM 0 H THR A 39 -6.338 -7.846 5.541 1.00 1.51 H new ATOM 0 HA THR A 39 -3.770 -7.681 4.474 1.00 1.72 H new ATOM 0 HB THR A 39 -4.672 -6.603 6.418 1.00 2.07 H new ATOM 0 HG1 THR A 39 -2.249 -7.788 6.233 1.00 2.80 H new ATOM 0 HG21 THR A 39 -4.691 -7.724 8.650 1.00 2.78 H new ATOM 0 HG22 THR A 39 -5.919 -8.368 7.535 1.00 2.78 H new ATOM 0 HG23 THR A 39 -4.423 -9.283 7.836 1.00 2.78 H new ATOM 584 N ASN A 40 -4.466 -10.665 5.670 1.00 2.73 N ATOM 585 CA ASN A 40 -4.034 -12.041 5.536 1.00 3.38 C ATOM 586 C ASN A 40 -4.275 -12.492 4.094 1.00 2.90 C ATOM 587 O ASN A 40 -5.290 -13.110 3.782 1.00 4.08 O ATOM 588 CB ASN A 40 -4.755 -12.925 6.559 1.00 4.84 C ATOM 589 CG ASN A 40 -4.026 -14.253 6.684 1.00 5.86 C ATOM 590 OD1 ASN A 40 -3.804 -14.953 5.706 1.00 6.36 O ATOM 591 ND2 ASN A 40 -3.563 -14.597 7.879 1.00 6.55 N ATOM 0 H ASN A 40 -5.353 -10.540 6.158 1.00 2.73 H new ATOM 0 HA ASN A 40 -2.968 -12.131 5.746 1.00 3.38 H new ATOM 0 HB2 ASN A 40 -4.790 -12.425 7.527 1.00 4.84 H new ATOM 0 HB3 ASN A 40 -5.786 -13.092 6.249 1.00 4.84 H new ATOM 0 HD21 ASN A 40 -3.017 -15.452 7.988 1.00 6.55 H new ATOM 0 HD22 ASN A 40 -3.753 -14.007 8.689 1.00 6.55 H new ATOM 598 N SER A 41 -3.350 -12.161 3.194 1.00 2.32 N ATOM 599 CA SER A 41 -3.415 -12.588 1.809 1.00 2.97 C ATOM 600 C SER A 41 -2.013 -12.568 1.213 1.00 3.21 C ATOM 601 O SER A 41 -1.043 -12.347 1.941 1.00 3.46 O ATOM 602 CB SER A 41 -4.394 -11.693 1.040 1.00 3.72 C ATOM 603 OG SER A 41 -4.661 -12.227 -0.243 1.00 4.95 O ATOM 0 H SER A 41 -2.535 -11.588 3.412 1.00 2.32 H new ATOM 0 HA SER A 41 -3.789 -13.609 1.738 1.00 2.97 H new ATOM 0 HB2 SER A 41 -5.324 -11.598 1.600 1.00 3.72 H new ATOM 0 HB3 SER A 41 -3.977 -10.691 0.942 1.00 3.72 H new ATOM 0 HG SER A 41 -5.289 -11.642 -0.717 1.00 4.95 H new ATOM 609 N LYS A 42 -1.903 -12.849 -0.091 1.00 3.87 N ATOM 610 CA LYS A 42 -0.675 -13.179 -0.815 1.00 4.33 C ATOM 611 C LYS A 42 0.015 -14.389 -0.187 1.00 3.67 C ATOM 612 O LYS A 42 -0.016 -15.466 -0.771 1.00 4.17 O ATOM 613 CB LYS A 42 0.232 -11.944 -0.960 1.00 4.85 C ATOM 614 CG LYS A 42 1.474 -12.198 -1.832 1.00 6.18 C ATOM 615 CD LYS A 42 1.321 -11.746 -3.289 1.00 6.69 C ATOM 616 CE LYS A 42 0.294 -12.580 -4.058 1.00 6.43 C ATOM 617 NZ LYS A 42 0.375 -12.328 -5.512 1.00 7.30 N ATOM 0 H LYS A 42 -2.719 -12.852 -0.703 1.00 3.87 H new ATOM 0 HA LYS A 42 -0.928 -13.475 -1.833 1.00 4.33 H new ATOM 0 HB2 LYS A 42 -0.346 -11.127 -1.392 1.00 4.85 H new ATOM 0 HB3 LYS A 42 0.552 -11.619 0.030 1.00 4.85 H new ATOM 0 HG2 LYS A 42 2.326 -11.681 -1.390 1.00 6.18 H new ATOM 0 HG3 LYS A 42 1.704 -13.263 -1.816 1.00 6.18 H new ATOM 0 HD2 LYS A 42 1.023 -10.698 -3.311 1.00 6.69 H new ATOM 0 HD3 LYS A 42 2.287 -11.813 -3.790 1.00 6.69 H new ATOM 0 HE2 LYS A 42 0.462 -13.639 -3.861 1.00 6.43 H new ATOM 0 HE3 LYS A 42 -0.709 -12.344 -3.702 1.00 6.43 H new ATOM 0 HZ1 LYS A 42 -0.377 -11.667 -5.792 1.00 7.30 H new ATOM 0 HZ2 LYS A 42 1.302 -11.916 -5.742 1.00 7.30 H new ATOM 0 HZ3 LYS A 42 0.257 -13.224 -6.027 1.00 7.30 H new ATOM 631 N LYS A 43 0.638 -14.230 0.981 1.00 3.18 N ATOM 632 CA LYS A 43 1.271 -15.317 1.711 1.00 2.85 C ATOM 633 C LYS A 43 1.046 -15.144 3.215 1.00 2.19 C ATOM 634 O LYS A 43 1.963 -15.319 4.003 1.00 2.66 O ATOM 635 CB LYS A 43 2.753 -15.396 1.299 1.00 3.39 C ATOM 636 CG LYS A 43 3.041 -16.754 0.658 1.00 4.21 C ATOM 637 CD LYS A 43 4.460 -16.759 0.091 1.00 4.93 C ATOM 638 CE LYS A 43 4.703 -18.084 -0.633 1.00 5.92 C ATOM 639 NZ LYS A 43 6.028 -18.103 -1.284 1.00 6.70 N ATOM 0 H LYS A 43 0.716 -13.327 1.449 1.00 3.18 H new ATOM 0 HA LYS A 43 0.820 -16.277 1.458 1.00 2.85 H new ATOM 0 HB2 LYS A 43 2.988 -14.595 0.598 1.00 3.39 H new ATOM 0 HB3 LYS A 43 3.391 -15.253 2.171 1.00 3.39 H new ATOM 0 HG2 LYS A 43 2.930 -17.548 1.397 1.00 4.21 H new ATOM 0 HG3 LYS A 43 2.320 -16.954 -0.135 1.00 4.21 H new ATOM 0 HD2 LYS A 43 4.593 -15.924 -0.597 1.00 4.93 H new ATOM 0 HD3 LYS A 43 5.186 -16.630 0.893 1.00 4.93 H new ATOM 0 HE2 LYS A 43 4.632 -18.908 0.077 1.00 5.92 H new ATOM 0 HE3 LYS A 43 3.926 -18.241 -1.381 1.00 5.92 H new ATOM 0 HZ1 LYS A 43 6.164 -19.014 -1.767 1.00 6.70 H new ATOM 0 HZ2 LYS A 43 6.085 -17.331 -1.979 1.00 6.70 H new ATOM 0 HZ3 LYS A 43 6.770 -17.977 -0.566 1.00 6.70 H new ATOM 653 N PHE A 44 -0.201 -14.851 3.604 1.00 2.23 N ATOM 654 CA PHE A 44 -0.678 -14.860 4.986 1.00 2.27 C ATOM 655 C PHE A 44 0.295 -14.195 5.968 1.00 1.96 C ATOM 656 O PHE A 44 0.794 -14.842 6.882 1.00 2.75 O ATOM 657 CB PHE A 44 -1.086 -16.292 5.399 1.00 3.08 C ATOM 658 CG PHE A 44 -0.074 -17.394 5.115 1.00 3.44 C ATOM 659 CD1 PHE A 44 0.926 -17.719 6.052 1.00 3.97 C ATOM 660 CD2 PHE A 44 -0.129 -18.092 3.893 1.00 4.81 C ATOM 661 CE1 PHE A 44 1.884 -18.702 5.755 1.00 5.65 C ATOM 662 CE2 PHE A 44 0.827 -19.080 3.597 1.00 6.24 C ATOM 663 CZ PHE A 44 1.838 -19.380 4.525 1.00 6.62 C ATOM 0 H PHE A 44 -0.929 -14.592 2.938 1.00 2.23 H new ATOM 0 HA PHE A 44 -1.570 -14.236 5.034 1.00 2.27 H new ATOM 0 HB2 PHE A 44 -1.299 -16.291 6.468 1.00 3.08 H new ATOM 0 HB3 PHE A 44 -2.016 -16.543 4.889 1.00 3.08 H new ATOM 0 HD1 PHE A 44 0.956 -17.210 7.004 1.00 3.97 H new ATOM 0 HD2 PHE A 44 -0.909 -17.868 3.180 1.00 4.81 H new ATOM 0 HE1 PHE A 44 2.656 -18.937 6.472 1.00 5.65 H new ATOM 0 HE2 PHE A 44 0.784 -19.608 2.656 1.00 6.24 H new ATOM 0 HZ PHE A 44 2.579 -20.131 4.293 1.00 6.62 H new ATOM 673 N ILE A 45 0.495 -12.877 5.821 1.00 1.39 N ATOM 674 CA ILE A 45 1.510 -12.107 6.549 1.00 1.18 C ATOM 675 C ILE A 45 2.897 -12.524 6.024 1.00 1.39 C ATOM 676 O ILE A 45 3.447 -13.557 6.390 1.00 2.56 O ATOM 677 CB ILE A 45 1.328 -12.216 8.097 1.00 1.52 C ATOM 678 CG1 ILE A 45 0.744 -10.911 8.637 1.00 2.14 C ATOM 679 CG2 ILE A 45 2.618 -12.478 8.891 1.00 2.25 C ATOM 680 CD1 ILE A 45 -0.723 -10.739 8.225 1.00 3.62 C ATOM 0 H ILE A 45 -0.056 -12.307 5.180 1.00 1.39 H new ATOM 0 HA ILE A 45 1.396 -11.040 6.359 1.00 1.18 H new ATOM 0 HB ILE A 45 0.673 -13.076 8.235 1.00 1.52 H new ATOM 0 HG12 ILE A 45 0.822 -10.899 9.724 1.00 2.14 H new ATOM 0 HG13 ILE A 45 1.328 -10.069 8.266 1.00 2.14 H new ATOM 0 HG21 ILE A 45 2.385 -12.537 9.954 1.00 2.25 H new ATOM 0 HG22 ILE A 45 3.062 -13.418 8.564 1.00 2.25 H new ATOM 0 HG23 ILE A 45 3.323 -11.665 8.718 1.00 2.25 H new ATOM 0 HD11 ILE A 45 -1.106 -9.801 8.626 1.00 3.62 H new ATOM 0 HD12 ILE A 45 -0.796 -10.726 7.138 1.00 3.62 H new ATOM 0 HD13 ILE A 45 -1.311 -11.568 8.618 1.00 3.62 H new ATOM 692 N ASP A 46 3.487 -11.716 5.140 1.00 0.76 N ATOM 693 CA ASP A 46 4.801 -12.024 4.569 1.00 0.70 C ATOM 694 C ASP A 46 5.392 -10.740 4.003 1.00 0.52 C ATOM 695 O ASP A 46 6.368 -10.191 4.503 1.00 0.56 O ATOM 696 CB ASP A 46 4.652 -13.100 3.478 1.00 0.81 C ATOM 697 CG ASP A 46 5.984 -13.555 2.883 1.00 1.10 C ATOM 698 OD1 ASP A 46 7.026 -13.270 3.508 1.00 2.03 O ATOM 699 OD2 ASP A 46 5.935 -14.182 1.798 1.00 2.19 O ATOM 0 H ASP A 46 3.077 -10.845 4.804 1.00 0.76 H new ATOM 0 HA ASP A 46 5.471 -12.417 5.334 1.00 0.70 H new ATOM 0 HB2 ASP A 46 4.137 -13.964 3.899 1.00 0.81 H new ATOM 0 HB3 ASP A 46 4.021 -12.711 2.679 1.00 0.81 H new ATOM 704 N ILE A 47 4.705 -10.191 3.004 1.00 0.43 N ATOM 705 CA ILE A 47 5.089 -8.976 2.302 1.00 0.38 C ATOM 706 C ILE A 47 5.340 -7.843 3.303 1.00 0.35 C ATOM 707 O ILE A 47 6.383 -7.199 3.280 1.00 0.42 O ATOM 708 CB ILE A 47 3.978 -8.651 1.288 1.00 0.45 C ATOM 709 CG1 ILE A 47 3.827 -9.785 0.253 1.00 0.56 C ATOM 710 CG2 ILE A 47 4.224 -7.284 0.644 1.00 0.57 C ATOM 711 CD1 ILE A 47 4.591 -9.508 -1.034 1.00 0.56 C ATOM 0 H ILE A 47 3.837 -10.596 2.652 1.00 0.43 H new ATOM 0 HA ILE A 47 6.025 -9.107 1.759 1.00 0.38 H new ATOM 0 HB ILE A 47 3.025 -8.586 1.813 1.00 0.45 H new ATOM 0 HG12 ILE A 47 4.182 -10.719 0.688 1.00 0.56 H new ATOM 0 HG13 ILE A 47 2.771 -9.923 0.022 1.00 0.56 H new ATOM 0 HG21 ILE A 47 3.429 -7.070 -0.070 1.00 0.57 H new ATOM 0 HG22 ILE A 47 4.235 -6.515 1.416 1.00 0.57 H new ATOM 0 HG23 ILE A 47 5.184 -7.293 0.127 1.00 0.57 H new ATOM 0 HD11 ILE A 47 4.450 -10.338 -1.727 1.00 0.56 H new ATOM 0 HD12 ILE A 47 4.219 -8.589 -1.488 1.00 0.56 H new ATOM 0 HD13 ILE A 47 5.652 -9.398 -0.811 1.00 0.56 H new ATOM 723 N PHE A 48 4.386 -7.598 4.198 1.00 0.32 N ATOM 724 CA PHE A 48 4.507 -6.578 5.227 1.00 0.30 C ATOM 725 C PHE A 48 5.722 -6.779 6.127 1.00 0.30 C ATOM 726 O PHE A 48 6.269 -5.804 6.628 1.00 0.31 O ATOM 727 CB PHE A 48 3.216 -6.577 6.043 1.00 0.35 C ATOM 728 CG PHE A 48 3.273 -5.704 7.282 1.00 0.35 C ATOM 729 CD1 PHE A 48 3.506 -4.328 7.156 1.00 0.34 C ATOM 730 CD2 PHE A 48 3.143 -6.266 8.561 1.00 0.39 C ATOM 731 CE1 PHE A 48 3.649 -3.530 8.297 1.00 0.36 C ATOM 732 CE2 PHE A 48 3.246 -5.463 9.711 1.00 0.41 C ATOM 733 CZ PHE A 48 3.519 -4.093 9.578 1.00 0.39 C ATOM 0 H PHE A 48 3.503 -8.107 4.227 1.00 0.32 H new ATOM 0 HA PHE A 48 4.660 -5.613 4.744 1.00 0.30 H new ATOM 0 HB2 PHE A 48 2.397 -6.238 5.409 1.00 0.35 H new ATOM 0 HB3 PHE A 48 2.985 -7.600 6.341 1.00 0.35 H new ATOM 0 HD1 PHE A 48 3.575 -3.882 6.175 1.00 0.34 H new ATOM 0 HD2 PHE A 48 2.962 -7.326 8.663 1.00 0.39 H new ATOM 0 HE1 PHE A 48 3.860 -2.476 8.192 1.00 0.36 H new ATOM 0 HE2 PHE A 48 3.116 -5.898 10.691 1.00 0.41 H new ATOM 0 HZ PHE A 48 3.629 -3.474 10.456 1.00 0.39 H new ATOM 743 N LYS A 49 6.156 -8.012 6.378 1.00 0.32 N ATOM 744 CA LYS A 49 7.292 -8.198 7.268 1.00 0.34 C ATOM 745 C LYS A 49 8.546 -7.535 6.704 1.00 0.33 C ATOM 746 O LYS A 49 9.275 -6.898 7.457 1.00 0.37 O ATOM 747 CB LYS A 49 7.535 -9.688 7.569 1.00 0.41 C ATOM 748 CG LYS A 49 7.027 -10.144 8.939 1.00 0.68 C ATOM 749 CD LYS A 49 5.499 -10.083 9.066 1.00 1.09 C ATOM 750 CE LYS A 49 4.970 -8.730 9.547 1.00 0.78 C ATOM 751 NZ LYS A 49 5.383 -8.416 10.931 1.00 0.98 N ATOM 0 H LYS A 49 5.754 -8.867 5.993 1.00 0.32 H new ATOM 0 HA LYS A 49 7.053 -7.710 8.213 1.00 0.34 H new ATOM 0 HB2 LYS A 49 7.051 -10.286 6.797 1.00 0.41 H new ATOM 0 HB3 LYS A 49 8.604 -9.890 7.505 1.00 0.41 H new ATOM 0 HG2 LYS A 49 7.360 -11.166 9.122 1.00 0.68 H new ATOM 0 HG3 LYS A 49 7.475 -9.520 9.712 1.00 0.68 H new ATOM 0 HD2 LYS A 49 5.054 -10.312 8.098 1.00 1.09 H new ATOM 0 HD3 LYS A 49 5.171 -10.858 9.759 1.00 1.09 H new ATOM 0 HE2 LYS A 49 5.327 -7.946 8.879 1.00 0.78 H new ATOM 0 HE3 LYS A 49 3.882 -8.728 9.488 1.00 0.78 H new ATOM 0 HZ1 LYS A 49 4.772 -7.667 11.314 1.00 0.98 H new ATOM 0 HZ2 LYS A 49 5.297 -9.268 11.521 1.00 0.98 H new ATOM 0 HZ3 LYS A 49 6.371 -8.092 10.933 1.00 0.98 H new ATOM 765 N GLU A 50 8.815 -7.715 5.412 1.00 0.35 N ATOM 766 CA GLU A 50 10.020 -7.174 4.796 1.00 0.39 C ATOM 767 C GLU A 50 9.733 -5.773 4.248 1.00 0.35 C ATOM 768 O GLU A 50 10.327 -4.773 4.649 1.00 0.40 O ATOM 769 CB GLU A 50 10.473 -8.143 3.691 1.00 0.45 C ATOM 770 CG GLU A 50 11.841 -7.779 3.101 1.00 1.45 C ATOM 771 CD GLU A 50 12.960 -7.902 4.137 1.00 1.60 C ATOM 772 OE1 GLU A 50 13.113 -9.017 4.681 1.00 1.95 O ATOM 773 OE2 GLU A 50 13.639 -6.881 4.380 1.00 2.58 O ATOM 0 H GLU A 50 8.212 -8.233 4.773 1.00 0.35 H new ATOM 0 HA GLU A 50 10.824 -7.077 5.526 1.00 0.39 H new ATOM 0 HB2 GLU A 50 10.515 -9.154 4.096 1.00 0.45 H new ATOM 0 HB3 GLU A 50 9.730 -8.150 2.894 1.00 0.45 H new ATOM 0 HG2 GLU A 50 12.057 -8.431 2.255 1.00 1.45 H new ATOM 0 HG3 GLU A 50 11.811 -6.759 2.718 1.00 1.45 H new ATOM 780 N GLU A 51 8.803 -5.706 3.301 1.00 0.30 N ATOM 781 CA GLU A 51 8.540 -4.516 2.510 1.00 0.31 C ATOM 782 C GLU A 51 7.864 -3.453 3.378 1.00 0.31 C ATOM 783 O GLU A 51 8.135 -2.255 3.252 1.00 0.30 O ATOM 784 CB GLU A 51 7.684 -4.887 1.294 1.00 0.33 C ATOM 785 CG GLU A 51 8.150 -6.162 0.567 1.00 0.66 C ATOM 786 CD GLU A 51 9.635 -6.174 0.209 1.00 0.97 C ATOM 787 OE1 GLU A 51 10.213 -5.080 0.070 1.00 2.43 O ATOM 788 OE2 GLU A 51 10.160 -7.292 0.022 1.00 1.90 O ATOM 0 H GLU A 51 8.201 -6.494 3.060 1.00 0.30 H new ATOM 0 HA GLU A 51 9.478 -4.097 2.146 1.00 0.31 H new ATOM 0 HB2 GLU A 51 6.652 -5.022 1.617 1.00 0.33 H new ATOM 0 HB3 GLU A 51 7.692 -4.055 0.589 1.00 0.33 H new ATOM 0 HG2 GLU A 51 7.933 -7.025 1.196 1.00 0.66 H new ATOM 0 HG3 GLU A 51 7.567 -6.279 -0.347 1.00 0.66 H new ATOM 795 N GLY A 52 7.028 -3.893 4.325 1.00 0.34 N ATOM 796 CA GLY A 52 6.475 -3.096 5.402 1.00 0.35 C ATOM 797 C GLY A 52 7.501 -2.684 6.457 1.00 0.35 C ATOM 798 O GLY A 52 7.193 -2.612 7.642 1.00 0.40 O ATOM 0 H GLY A 52 6.710 -4.862 4.354 1.00 0.34 H new ATOM 0 HA2 GLY A 52 6.021 -2.199 4.981 1.00 0.35 H new ATOM 0 HA3 GLY A 52 5.677 -3.660 5.886 1.00 0.35 H new ATOM 802 N SER A 53 8.717 -2.344 6.041 1.00 0.34 N ATOM 803 CA SER A 53 9.633 -1.544 6.823 1.00 0.37 C ATOM 804 C SER A 53 10.571 -0.817 5.862 1.00 0.39 C ATOM 805 O SER A 53 11.760 -0.677 6.145 1.00 0.61 O ATOM 806 CB SER A 53 10.372 -2.464 7.804 1.00 0.52 C ATOM 807 OG SER A 53 11.232 -1.722 8.647 1.00 1.68 O ATOM 0 H SER A 53 9.093 -2.625 5.135 1.00 0.34 H new ATOM 0 HA SER A 53 9.117 -0.789 7.416 1.00 0.37 H new ATOM 0 HB2 SER A 53 9.649 -3.012 8.408 1.00 0.52 H new ATOM 0 HB3 SER A 53 10.950 -3.203 7.249 1.00 0.52 H new ATOM 0 HG SER A 53 11.777 -1.114 8.105 1.00 1.68 H new ATOM 813 N ASN A 54 10.043 -0.365 4.718 1.00 0.29 N ATOM 814 CA ASN A 54 10.879 0.132 3.634 1.00 0.33 C ATOM 815 C ASN A 54 10.275 1.344 2.947 1.00 0.36 C ATOM 816 O ASN A 54 10.957 2.340 2.725 1.00 0.54 O ATOM 817 CB ASN A 54 11.136 -1.002 2.626 1.00 0.41 C ATOM 818 CG ASN A 54 12.609 -1.095 2.269 1.00 0.74 C ATOM 819 OD1 ASN A 54 13.183 -0.163 1.716 1.00 0.93 O ATOM 820 ND2 ASN A 54 13.252 -2.207 2.603 1.00 1.91 N ATOM 0 H ASN A 54 9.042 -0.336 4.525 1.00 0.29 H new ATOM 0 HA ASN A 54 11.826 0.461 4.061 1.00 0.33 H new ATOM 0 HB2 ASN A 54 10.801 -1.950 3.047 1.00 0.41 H new ATOM 0 HB3 ASN A 54 10.550 -0.829 1.723 1.00 0.41 H new ATOM 0 HD21 ASN A 54 14.247 -2.301 2.400 1.00 1.91 H new ATOM 0 HD22 ASN A 54 12.751 -2.967 3.062 1.00 1.91 H new ATOM 827 N LEU A 55 8.991 1.268 2.605 1.00 0.27 N ATOM 828 CA LEU A 55 8.342 2.351 1.870 1.00 0.32 C ATOM 829 C LEU A 55 8.324 3.635 2.695 1.00 0.35 C ATOM 830 O LEU A 55 8.423 4.732 2.153 1.00 0.44 O ATOM 831 CB LEU A 55 6.907 1.963 1.492 1.00 0.34 C ATOM 832 CG LEU A 55 6.819 0.629 0.749 1.00 0.42 C ATOM 833 CD1 LEU A 55 5.383 0.390 0.275 1.00 0.45 C ATOM 834 CD2 LEU A 55 7.797 0.630 -0.431 1.00 0.51 C ATOM 0 H LEU A 55 8.385 0.477 2.822 1.00 0.27 H new ATOM 0 HA LEU A 55 8.916 2.526 0.960 1.00 0.32 H new ATOM 0 HB2 LEU A 55 6.302 1.908 2.397 1.00 0.34 H new ATOM 0 HB3 LEU A 55 6.478 2.748 0.869 1.00 0.34 H new ATOM 0 HG LEU A 55 7.094 -0.183 1.422 1.00 0.42 H new ATOM 0 HD11 LEU A 55 5.328 -0.562 -0.253 1.00 0.45 H new ATOM 0 HD12 LEU A 55 4.715 0.366 1.136 1.00 0.45 H new ATOM 0 HD13 LEU A 55 5.082 1.195 -0.396 1.00 0.45 H new ATOM 0 HD21 LEU A 55 7.732 -0.322 -0.958 1.00 0.51 H new ATOM 0 HD22 LEU A 55 7.543 1.441 -1.113 1.00 0.51 H new ATOM 0 HD23 LEU A 55 8.813 0.771 -0.062 1.00 0.51 H new ATOM 846 N THR A 56 8.137 3.488 4.006 1.00 0.30 N ATOM 847 CA THR A 56 7.955 4.587 4.946 1.00 0.32 C ATOM 848 C THR A 56 7.700 3.995 6.333 1.00 0.31 C ATOM 849 O THR A 56 7.386 2.811 6.460 1.00 0.31 O ATOM 850 CB THR A 56 6.833 5.550 4.489 1.00 0.36 C ATOM 851 OG1 THR A 56 6.417 6.396 5.547 1.00 0.46 O ATOM 852 CG2 THR A 56 5.595 4.836 3.954 1.00 0.36 C ATOM 0 H THR A 56 8.108 2.572 4.454 1.00 0.30 H new ATOM 0 HA THR A 56 8.857 5.197 4.985 1.00 0.32 H new ATOM 0 HB THR A 56 7.278 6.128 3.679 1.00 0.36 H new ATOM 0 HG1 THR A 56 5.709 6.994 5.228 1.00 0.46 H new ATOM 0 HG21 THR A 56 4.851 5.574 3.653 1.00 0.36 H new ATOM 0 HG22 THR A 56 5.870 4.226 3.094 1.00 0.36 H new ATOM 0 HG23 THR A 56 5.178 4.198 4.733 1.00 0.36 H new ATOM 860 N SER A 57 7.781 4.819 7.378 1.00 0.36 N ATOM 861 CA SER A 57 7.336 4.457 8.714 1.00 0.38 C ATOM 862 C SER A 57 5.846 4.117 8.711 1.00 0.36 C ATOM 863 O SER A 57 5.426 3.210 9.421 1.00 0.40 O ATOM 864 CB SER A 57 7.623 5.609 9.677 1.00 0.46 C ATOM 865 OG SER A 57 8.956 6.045 9.496 1.00 0.91 O ATOM 0 H SER A 57 8.161 5.763 7.315 1.00 0.36 H new ATOM 0 HA SER A 57 7.881 3.573 9.044 1.00 0.38 H new ATOM 0 HB2 SER A 57 6.931 6.431 9.496 1.00 0.46 H new ATOM 0 HB3 SER A 57 7.470 5.285 10.706 1.00 0.46 H new ATOM 0 HG SER A 57 9.144 6.785 10.110 1.00 0.91 H new ATOM 871 N TYR A 58 5.042 4.802 7.887 1.00 0.35 N ATOM 872 CA TYR A 58 3.618 4.500 7.724 1.00 0.42 C ATOM 873 C TYR A 58 3.400 3.143 7.044 1.00 0.48 C ATOM 874 O TYR A 58 2.278 2.651 6.989 1.00 0.79 O ATOM 875 CB TYR A 58 2.952 5.609 6.885 1.00 0.53 C ATOM 876 CG TYR A 58 1.662 6.198 7.430 1.00 0.69 C ATOM 877 CD1 TYR A 58 0.852 5.497 8.343 1.00 0.75 C ATOM 878 CD2 TYR A 58 1.292 7.500 7.035 1.00 0.94 C ATOM 879 CE1 TYR A 58 -0.248 6.137 8.929 1.00 1.04 C ATOM 880 CE2 TYR A 58 0.130 8.105 7.550 1.00 1.27 C ATOM 881 CZ TYR A 58 -0.641 7.426 8.518 1.00 1.33 C ATOM 882 OH TYR A 58 -1.764 7.988 9.049 1.00 1.68 O ATOM 0 H TYR A 58 5.364 5.582 7.314 1.00 0.35 H new ATOM 0 HA TYR A 58 3.168 4.454 8.716 1.00 0.42 H new ATOM 0 HB2 TYR A 58 3.670 6.420 6.762 1.00 0.53 H new ATOM 0 HB3 TYR A 58 2.750 5.209 5.892 1.00 0.53 H new ATOM 0 HD1 TYR A 58 1.077 4.470 8.591 1.00 0.75 H new ATOM 0 HD2 TYR A 58 1.907 8.039 6.330 1.00 0.94 H new ATOM 0 HE1 TYR A 58 -0.803 5.635 9.707 1.00 1.04 H new ATOM 0 HE2 TYR A 58 -0.170 9.084 7.206 1.00 1.27 H new ATOM 0 HH TYR A 58 -1.898 8.879 8.663 1.00 1.68 H new ATOM 892 N GLY A 59 4.471 2.554 6.511 1.00 0.36 N ATOM 893 CA GLY A 59 4.482 1.233 5.925 1.00 0.40 C ATOM 894 C GLY A 59 4.882 0.184 6.953 1.00 0.37 C ATOM 895 O GLY A 59 4.783 -0.999 6.668 1.00 0.43 O ATOM 0 H GLY A 59 5.383 3.009 6.479 1.00 0.36 H new ATOM 0 HA2 GLY A 59 3.494 0.999 5.527 1.00 0.40 H new ATOM 0 HA3 GLY A 59 5.178 1.209 5.086 1.00 0.40 H new ATOM 899 N ARG A 60 5.326 0.593 8.144 1.00 0.34 N ATOM 900 CA ARG A 60 5.694 -0.310 9.228 1.00 0.37 C ATOM 901 C ARG A 60 4.683 -0.267 10.373 1.00 0.41 C ATOM 902 O ARG A 60 4.752 -1.086 11.287 1.00 0.50 O ATOM 903 CB ARG A 60 7.086 0.076 9.741 1.00 0.39 C ATOM 904 CG ARG A 60 7.743 -1.033 10.580 1.00 0.48 C ATOM 905 CD ARG A 60 9.070 -0.578 11.189 1.00 1.14 C ATOM 906 NE ARG A 60 9.426 -1.433 12.332 1.00 1.02 N ATOM 907 CZ ARG A 60 10.255 -1.095 13.327 1.00 1.60 C ATOM 908 NH1 ARG A 60 10.965 0.029 13.250 1.00 2.68 N ATOM 909 NH2 ARG A 60 10.363 -1.877 14.403 1.00 1.58 N ATOM 0 H ARG A 60 5.440 1.578 8.382 1.00 0.34 H new ATOM 0 HA ARG A 60 5.701 -1.329 8.842 1.00 0.37 H new ATOM 0 HB2 ARG A 60 7.728 0.311 8.892 1.00 0.39 H new ATOM 0 HB3 ARG A 60 7.008 0.982 10.342 1.00 0.39 H new ATOM 0 HG2 ARG A 60 7.063 -1.336 11.376 1.00 0.48 H new ATOM 0 HG3 ARG A 60 7.912 -1.909 9.954 1.00 0.48 H new ATOM 0 HD2 ARG A 60 9.857 -0.619 10.436 1.00 1.14 H new ATOM 0 HD3 ARG A 60 8.993 0.460 11.513 1.00 1.14 H new ATOM 0 HE ARG A 60 9.006 -2.362 12.369 1.00 1.02 H new ATOM 0 HH11 ARG A 60 10.877 0.633 12.433 1.00 2.68 H new ATOM 0 HH12 ARG A 60 11.597 0.286 14.008 1.00 2.68 H new ATOM 0 HH21 ARG A 60 9.813 -2.734 14.468 1.00 1.58 H new ATOM 0 HH22 ARG A 60 10.995 -1.618 15.160 1.00 1.58 H new ATOM 923 N THR A 61 3.775 0.708 10.363 1.00 0.41 N ATOM 924 CA THR A 61 2.634 0.741 11.272 1.00 0.48 C ATOM 925 C THR A 61 1.701 -0.446 10.964 1.00 0.56 C ATOM 926 O THR A 61 2.145 -1.469 10.452 1.00 0.87 O ATOM 927 CB THR A 61 1.940 2.108 11.151 1.00 0.49 C ATOM 928 OG1 THR A 61 1.669 2.391 9.811 1.00 0.80 O ATOM 929 CG2 THR A 61 2.767 3.255 11.704 1.00 0.75 C ATOM 0 H THR A 61 3.812 1.500 9.721 1.00 0.41 H new ATOM 0 HA THR A 61 2.950 0.631 12.309 1.00 0.48 H new ATOM 0 HB THR A 61 1.026 2.029 11.740 1.00 0.49 H new ATOM 0 HG1 THR A 61 0.782 2.801 9.736 1.00 0.80 H new ATOM 0 HG21 THR A 61 2.218 4.189 11.587 1.00 0.75 H new ATOM 0 HG22 THR A 61 2.967 3.082 12.761 1.00 0.75 H new ATOM 0 HG23 THR A 61 3.710 3.318 11.162 1.00 0.75 H new ATOM 937 N ASN A 62 0.408 -0.371 11.303 1.00 0.49 N ATOM 938 CA ASN A 62 -0.500 -1.485 11.070 1.00 0.52 C ATOM 939 C ASN A 62 -0.427 -1.933 9.609 1.00 0.47 C ATOM 940 O ASN A 62 -0.284 -1.106 8.712 1.00 0.47 O ATOM 941 CB ASN A 62 -1.945 -1.087 11.438 1.00 0.60 C ATOM 942 CG ASN A 62 -2.522 -1.928 12.567 1.00 0.96 C ATOM 943 OD1 ASN A 62 -2.040 -3.014 12.862 1.00 1.72 O ATOM 944 ND2 ASN A 62 -3.577 -1.447 13.211 1.00 1.41 N ATOM 0 H ASN A 62 -0.024 0.445 11.736 1.00 0.49 H new ATOM 0 HA ASN A 62 -0.198 -2.318 11.705 1.00 0.52 H new ATOM 0 HB2 ASN A 62 -1.964 -0.036 11.728 1.00 0.60 H new ATOM 0 HB3 ASN A 62 -2.579 -1.186 10.557 1.00 0.60 H new ATOM 0 HD21 ASN A 62 -4.001 -1.984 13.967 1.00 1.41 H new ATOM 0 HD22 ASN A 62 -3.964 -0.540 12.950 1.00 1.41 H new ATOM 951 N GLU A 63 -0.581 -3.230 9.353 1.00 0.46 N ATOM 952 CA GLU A 63 -0.481 -3.786 8.006 1.00 0.42 C ATOM 953 C GLU A 63 -1.547 -3.182 7.078 1.00 0.46 C ATOM 954 O GLU A 63 -1.354 -3.028 5.876 1.00 0.51 O ATOM 955 CB GLU A 63 -0.578 -5.309 8.116 1.00 0.43 C ATOM 956 CG GLU A 63 -0.176 -6.001 6.808 1.00 0.75 C ATOM 957 CD GLU A 63 0.104 -7.490 7.001 1.00 1.77 C ATOM 958 OE1 GLU A 63 0.716 -7.840 8.032 1.00 3.17 O ATOM 959 OE2 GLU A 63 -0.279 -8.269 6.100 1.00 2.49 O ATOM 0 H GLU A 63 -0.779 -3.925 10.073 1.00 0.46 H new ATOM 0 HA GLU A 63 0.477 -3.529 7.553 1.00 0.42 H new ATOM 0 HB2 GLU A 63 0.066 -5.657 8.924 1.00 0.43 H new ATOM 0 HB3 GLU A 63 -1.598 -5.590 8.378 1.00 0.43 H new ATOM 0 HG2 GLU A 63 -0.972 -5.876 6.074 1.00 0.75 H new ATOM 0 HG3 GLU A 63 0.712 -5.517 6.401 1.00 0.75 H new ATOM 966 N ALA A 64 -2.668 -2.769 7.663 1.00 0.49 N ATOM 967 CA ALA A 64 -3.711 -2.000 7.008 1.00 0.49 C ATOM 968 C ALA A 64 -3.195 -0.676 6.448 1.00 0.47 C ATOM 969 O ALA A 64 -3.596 -0.241 5.370 1.00 0.51 O ATOM 970 CB ALA A 64 -4.806 -1.768 8.049 1.00 0.50 C ATOM 0 H ALA A 64 -2.878 -2.970 8.641 1.00 0.49 H new ATOM 0 HA ALA A 64 -4.093 -2.550 6.148 1.00 0.49 H new ATOM 0 HB1 ALA A 64 -5.616 -1.191 7.603 1.00 0.50 H new ATOM 0 HB2 ALA A 64 -5.191 -2.728 8.393 1.00 0.50 H new ATOM 0 HB3 ALA A 64 -4.393 -1.219 8.895 1.00 0.50 H new ATOM 976 N GLU A 65 -2.345 0.011 7.202 1.00 0.45 N ATOM 977 CA GLU A 65 -1.733 1.241 6.739 1.00 0.43 C ATOM 978 C GLU A 65 -0.704 0.946 5.671 1.00 0.39 C ATOM 979 O GLU A 65 -0.681 1.658 4.682 1.00 0.42 O ATOM 980 CB GLU A 65 -1.091 2.023 7.875 1.00 0.47 C ATOM 981 CG GLU A 65 -2.062 2.081 9.045 1.00 0.52 C ATOM 982 CD GLU A 65 -1.872 3.354 9.839 1.00 0.72 C ATOM 983 OE1 GLU A 65 -0.876 3.397 10.594 1.00 1.79 O ATOM 984 OE2 GLU A 65 -2.678 4.288 9.613 1.00 1.56 O ATOM 0 H GLU A 65 -2.065 -0.269 8.142 1.00 0.45 H new ATOM 0 HA GLU A 65 -2.527 1.859 6.319 1.00 0.43 H new ATOM 0 HB2 GLU A 65 -0.160 1.546 8.181 1.00 0.47 H new ATOM 0 HB3 GLU A 65 -0.839 3.031 7.544 1.00 0.47 H new ATOM 0 HG2 GLU A 65 -3.086 2.027 8.676 1.00 0.52 H new ATOM 0 HG3 GLU A 65 -1.910 1.217 9.692 1.00 0.52 H new ATOM 991 N PHE A 66 0.110 -0.096 5.842 1.00 0.37 N ATOM 992 CA PHE A 66 1.073 -0.533 4.841 1.00 0.32 C ATOM 993 C PHE A 66 0.411 -0.689 3.473 1.00 0.31 C ATOM 994 O PHE A 66 0.858 -0.119 2.482 1.00 0.28 O ATOM 995 CB PHE A 66 1.718 -1.832 5.328 1.00 0.36 C ATOM 996 CG PHE A 66 2.496 -2.569 4.268 1.00 0.34 C ATOM 997 CD1 PHE A 66 3.774 -2.124 3.905 1.00 0.34 C ATOM 998 CD2 PHE A 66 1.945 -3.705 3.647 1.00 0.37 C ATOM 999 CE1 PHE A 66 4.486 -2.775 2.893 1.00 0.36 C ATOM 1000 CE2 PHE A 66 2.679 -4.391 2.666 1.00 0.38 C ATOM 1001 CZ PHE A 66 3.952 -3.923 2.299 1.00 0.38 C ATOM 0 H PHE A 66 0.116 -0.664 6.689 1.00 0.37 H new ATOM 0 HA PHE A 66 1.851 0.220 4.713 1.00 0.32 H new ATOM 0 HB2 PHE A 66 2.384 -1.604 6.160 1.00 0.36 H new ATOM 0 HB3 PHE A 66 0.939 -2.489 5.714 1.00 0.36 H new ATOM 0 HD1 PHE A 66 4.211 -1.275 4.409 1.00 0.34 H new ATOM 0 HD2 PHE A 66 0.959 -4.049 3.924 1.00 0.37 H new ATOM 0 HE1 PHE A 66 5.444 -2.393 2.572 1.00 0.36 H new ATOM 0 HE2 PHE A 66 2.268 -5.273 2.197 1.00 0.38 H new ATOM 0 HZ PHE A 66 4.523 -4.454 1.552 1.00 0.38 H new ATOM 1011 N PHE A 67 -0.677 -1.450 3.410 1.00 0.38 N ATOM 1012 CA PHE A 67 -1.429 -1.622 2.181 1.00 0.39 C ATOM 1013 C PHE A 67 -1.946 -0.265 1.670 1.00 0.37 C ATOM 1014 O PHE A 67 -1.896 0.022 0.475 1.00 0.37 O ATOM 1015 CB PHE A 67 -2.557 -2.621 2.462 1.00 0.46 C ATOM 1016 CG PHE A 67 -3.470 -2.854 1.282 1.00 0.46 C ATOM 1017 CD1 PHE A 67 -4.564 -1.996 1.085 1.00 0.49 C ATOM 1018 CD2 PHE A 67 -3.225 -3.907 0.383 1.00 0.49 C ATOM 1019 CE1 PHE A 67 -5.375 -2.150 -0.054 1.00 0.57 C ATOM 1020 CE2 PHE A 67 -4.072 -4.095 -0.724 1.00 0.52 C ATOM 1021 CZ PHE A 67 -5.135 -3.205 -0.953 1.00 0.57 C ATOM 0 H PHE A 67 -1.057 -1.960 4.207 1.00 0.38 H new ATOM 0 HA PHE A 67 -0.798 -2.019 1.385 1.00 0.39 H new ATOM 0 HB2 PHE A 67 -2.120 -3.572 2.766 1.00 0.46 H new ATOM 0 HB3 PHE A 67 -3.149 -2.260 3.303 1.00 0.46 H new ATOM 0 HD1 PHE A 67 -4.782 -1.221 1.805 1.00 0.49 H new ATOM 0 HD2 PHE A 67 -2.388 -4.570 0.542 1.00 0.49 H new ATOM 0 HE1 PHE A 67 -6.183 -1.457 -0.238 1.00 0.57 H new ATOM 0 HE2 PHE A 67 -3.906 -4.923 -1.397 1.00 0.52 H new ATOM 0 HZ PHE A 67 -5.768 -3.331 -1.819 1.00 0.57 H new ATOM 1031 N ALA A 68 -2.461 0.581 2.565 1.00 0.37 N ATOM 1032 CA ALA A 68 -3.079 1.852 2.212 1.00 0.35 C ATOM 1033 C ALA A 68 -2.093 2.844 1.572 1.00 0.31 C ATOM 1034 O ALA A 68 -2.347 3.385 0.497 1.00 0.34 O ATOM 1035 CB ALA A 68 -3.711 2.426 3.478 1.00 0.35 C ATOM 0 H ALA A 68 -2.458 0.396 3.568 1.00 0.37 H new ATOM 0 HA ALA A 68 -3.838 1.679 1.449 1.00 0.35 H new ATOM 0 HB1 ALA A 68 -4.184 3.381 3.248 1.00 0.35 H new ATOM 0 HB2 ALA A 68 -4.461 1.732 3.857 1.00 0.35 H new ATOM 0 HB3 ALA A 68 -2.940 2.576 4.234 1.00 0.35 H new ATOM 1041 N GLU A 69 -0.974 3.129 2.235 1.00 0.28 N ATOM 1042 CA GLU A 69 0.086 3.975 1.705 1.00 0.29 C ATOM 1043 C GLU A 69 0.666 3.359 0.439 1.00 0.33 C ATOM 1044 O GLU A 69 0.909 4.077 -0.527 1.00 0.34 O ATOM 1045 CB GLU A 69 1.140 4.290 2.781 1.00 0.50 C ATOM 1046 CG GLU A 69 1.937 3.091 3.313 1.00 1.15 C ATOM 1047 CD GLU A 69 3.226 2.781 2.554 1.00 2.54 C ATOM 1048 OE1 GLU A 69 3.457 3.411 1.498 1.00 3.02 O ATOM 1049 OE2 GLU A 69 3.985 1.935 3.072 1.00 3.90 O ATOM 0 H GLU A 69 -0.778 2.772 3.170 1.00 0.28 H new ATOM 0 HA GLU A 69 -0.332 4.940 1.418 1.00 0.29 H new ATOM 0 HB2 GLU A 69 1.843 5.015 2.371 1.00 0.50 H new ATOM 0 HB3 GLU A 69 0.640 4.770 3.622 1.00 0.50 H new ATOM 0 HG2 GLU A 69 2.185 3.274 4.359 1.00 1.15 H new ATOM 0 HG3 GLU A 69 1.297 2.209 3.287 1.00 1.15 H new ATOM 1056 N ALA A 70 0.795 2.033 0.381 1.00 0.36 N ATOM 1057 CA ALA A 70 1.214 1.382 -0.846 1.00 0.42 C ATOM 1058 C ALA A 70 0.247 1.699 -1.992 1.00 0.37 C ATOM 1059 O ALA A 70 0.697 1.882 -3.119 1.00 0.39 O ATOM 1060 CB ALA A 70 1.375 -0.119 -0.619 1.00 0.50 C ATOM 0 H ALA A 70 0.616 1.402 1.162 1.00 0.36 H new ATOM 0 HA ALA A 70 2.187 1.774 -1.141 1.00 0.42 H new ATOM 0 HB1 ALA A 70 1.690 -0.596 -1.547 1.00 0.50 H new ATOM 0 HB2 ALA A 70 2.127 -0.292 0.151 1.00 0.50 H new ATOM 0 HB3 ALA A 70 0.423 -0.543 -0.298 1.00 0.50 H new ATOM 1066 N PHE A 71 -1.064 1.809 -1.744 1.00 0.38 N ATOM 1067 CA PHE A 71 -1.984 2.287 -2.775 1.00 0.44 C ATOM 1068 C PHE A 71 -1.675 3.733 -3.171 1.00 0.41 C ATOM 1069 O PHE A 71 -1.564 4.031 -4.361 1.00 0.48 O ATOM 1070 CB PHE A 71 -3.456 2.155 -2.367 1.00 0.51 C ATOM 1071 CG PHE A 71 -4.408 2.522 -3.496 1.00 1.02 C ATOM 1072 CD1 PHE A 71 -4.359 1.806 -4.708 1.00 1.98 C ATOM 1073 CD2 PHE A 71 -5.317 3.591 -3.363 1.00 2.65 C ATOM 1074 CE1 PHE A 71 -5.212 2.139 -5.771 1.00 2.28 C ATOM 1075 CE2 PHE A 71 -6.174 3.923 -4.429 1.00 3.23 C ATOM 1076 CZ PHE A 71 -6.126 3.195 -5.631 1.00 2.40 C ATOM 0 H PHE A 71 -1.503 1.577 -0.853 1.00 0.38 H new ATOM 0 HA PHE A 71 -1.827 1.642 -3.640 1.00 0.44 H new ATOM 0 HB2 PHE A 71 -3.651 1.131 -2.050 1.00 0.51 H new ATOM 0 HB3 PHE A 71 -3.651 2.797 -1.508 1.00 0.51 H new ATOM 0 HD1 PHE A 71 -3.658 0.992 -4.820 1.00 1.98 H new ATOM 0 HD2 PHE A 71 -5.356 4.155 -2.443 1.00 2.65 H new ATOM 0 HE1 PHE A 71 -5.165 1.583 -6.696 1.00 2.28 H new ATOM 0 HE2 PHE A 71 -6.872 4.741 -4.323 1.00 3.23 H new ATOM 0 HZ PHE A 71 -6.790 3.448 -6.444 1.00 2.40 H new ATOM 1086 N ARG A 72 -1.559 4.651 -2.200 1.00 0.33 N ATOM 1087 CA ARG A 72 -1.209 6.053 -2.456 1.00 0.32 C ATOM 1088 C ARG A 72 -0.041 6.115 -3.444 1.00 0.38 C ATOM 1089 O ARG A 72 -0.131 6.795 -4.462 1.00 0.51 O ATOM 1090 CB ARG A 72 -0.889 6.762 -1.125 1.00 0.30 C ATOM 1091 CG ARG A 72 -0.299 8.172 -1.280 1.00 0.43 C ATOM 1092 CD ARG A 72 0.057 8.754 0.096 1.00 0.61 C ATOM 1093 NE ARG A 72 1.512 8.879 0.277 1.00 0.81 N ATOM 1094 CZ ARG A 72 2.119 9.285 1.400 1.00 1.31 C ATOM 1095 NH1 ARG A 72 1.411 9.547 2.489 1.00 2.31 N ATOM 1096 NH2 ARG A 72 3.443 9.439 1.434 1.00 1.68 N ATOM 0 H ARG A 72 -1.706 4.440 -1.213 1.00 0.33 H new ATOM 0 HA ARG A 72 -2.051 6.577 -2.908 1.00 0.32 H new ATOM 0 HB2 ARG A 72 -1.802 6.827 -0.534 1.00 0.30 H new ATOM 0 HB3 ARG A 72 -0.187 6.148 -0.561 1.00 0.30 H new ATOM 0 HG2 ARG A 72 0.591 8.134 -1.908 1.00 0.43 H new ATOM 0 HG3 ARG A 72 -1.016 8.821 -1.782 1.00 0.43 H new ATOM 0 HD2 ARG A 72 -0.409 9.733 0.208 1.00 0.61 H new ATOM 0 HD3 ARG A 72 -0.353 8.115 0.878 1.00 0.61 H new ATOM 0 HE ARG A 72 2.106 8.637 -0.516 1.00 0.81 H new ATOM 0 HH11 ARG A 72 0.397 9.440 2.476 1.00 2.31 H new ATOM 0 HH12 ARG A 72 1.880 9.856 3.340 1.00 2.31 H new ATOM 0 HH21 ARG A 72 4.000 9.247 0.601 1.00 1.68 H new ATOM 0 HH22 ARG A 72 3.899 9.748 2.293 1.00 1.68 H new ATOM 1110 N LEU A 73 1.050 5.425 -3.130 1.00 0.33 N ATOM 1111 CA LEU A 73 2.315 5.427 -3.849 1.00 0.39 C ATOM 1112 C LEU A 73 2.158 4.784 -5.222 1.00 0.50 C ATOM 1113 O LEU A 73 2.471 5.426 -6.216 1.00 0.76 O ATOM 1114 CB LEU A 73 3.367 4.712 -3.002 1.00 0.36 C ATOM 1115 CG LEU A 73 3.863 5.425 -1.720 1.00 0.32 C ATOM 1116 CD1 LEU A 73 5.345 5.795 -1.827 1.00 0.41 C ATOM 1117 CD2 LEU A 73 3.110 6.697 -1.324 1.00 0.39 C ATOM 0 H LEU A 73 1.074 4.812 -2.315 1.00 0.33 H new ATOM 0 HA LEU A 73 2.642 6.453 -4.019 1.00 0.39 H new ATOM 0 HB2 LEU A 73 2.962 3.743 -2.712 1.00 0.36 H new ATOM 0 HB3 LEU A 73 4.233 4.519 -3.635 1.00 0.36 H new ATOM 0 HG LEU A 73 3.674 4.682 -0.945 1.00 0.32 H new ATOM 0 HD11 LEU A 73 5.662 6.294 -0.911 1.00 0.41 H new ATOM 0 HD12 LEU A 73 5.936 4.891 -1.971 1.00 0.41 H new ATOM 0 HD13 LEU A 73 5.493 6.464 -2.675 1.00 0.41 H new ATOM 0 HD21 LEU A 73 3.545 7.108 -0.413 1.00 0.39 H new ATOM 0 HD22 LEU A 73 3.188 7.431 -2.126 1.00 0.39 H new ATOM 0 HD23 LEU A 73 2.061 6.459 -1.150 1.00 0.39 H new ATOM 1129 N MET A 74 1.663 3.548 -5.318 1.00 0.67 N ATOM 1130 CA MET A 74 1.534 2.854 -6.601 1.00 0.85 C ATOM 1131 C MET A 74 0.687 3.659 -7.589 1.00 0.55 C ATOM 1132 O MET A 74 0.917 3.605 -8.800 1.00 0.59 O ATOM 1133 CB MET A 74 1.014 1.414 -6.413 1.00 1.32 C ATOM 1134 CG MET A 74 -0.490 1.308 -6.138 1.00 1.37 C ATOM 1135 SD MET A 74 -1.573 1.507 -7.587 1.00 2.11 S ATOM 1136 CE MET A 74 -2.195 -0.179 -7.802 1.00 2.78 C ATOM 0 H MET A 74 1.343 3.004 -4.517 1.00 0.67 H new ATOM 0 HA MET A 74 2.529 2.772 -7.038 1.00 0.85 H new ATOM 0 HB2 MET A 74 1.247 0.838 -7.308 1.00 1.32 H new ATOM 0 HB3 MET A 74 1.554 0.952 -5.587 1.00 1.32 H new ATOM 0 HG2 MET A 74 -0.691 0.336 -5.688 1.00 1.37 H new ATOM 0 HG3 MET A 74 -0.760 2.063 -5.399 1.00 1.37 H new ATOM 0 HE1 MET A 74 -2.268 -0.407 -8.865 1.00 2.78 H new ATOM 0 HE2 MET A 74 -1.511 -0.882 -7.327 1.00 2.78 H new ATOM 0 HE3 MET A 74 -3.180 -0.265 -7.344 1.00 2.78 H new ATOM 1146 N HIS A 75 -0.295 4.422 -7.097 1.00 0.48 N ATOM 1147 CA HIS A 75 -1.127 5.224 -7.980 1.00 0.52 C ATOM 1148 C HIS A 75 -0.553 6.626 -8.180 1.00 0.55 C ATOM 1149 O HIS A 75 -1.034 7.310 -9.082 1.00 0.90 O ATOM 1150 CB HIS A 75 -2.595 5.263 -7.512 1.00 0.81 C ATOM 1151 CG HIS A 75 -2.934 6.450 -6.645 1.00 0.62 C ATOM 1152 ND1 HIS A 75 -2.854 7.780 -7.027 1.00 0.69 N ATOM 1153 CD2 HIS A 75 -3.241 6.401 -5.319 1.00 0.78 C ATOM 1154 CE1 HIS A 75 -3.011 8.528 -5.923 1.00 0.86 C ATOM 1155 NE2 HIS A 75 -3.273 7.710 -4.886 1.00 0.90 N ATOM 0 H HIS A 75 -0.526 4.497 -6.106 1.00 0.48 H new ATOM 0 HA HIS A 75 -1.121 4.735 -8.954 1.00 0.52 H new ATOM 0 HB2 HIS A 75 -3.244 5.269 -8.388 1.00 0.81 H new ATOM 0 HB3 HIS A 75 -2.813 4.349 -6.960 1.00 0.81 H new ATOM 0 HD1 HIS A 75 -2.703 8.127 -7.974 1.00 0.69 H new ATOM 0 HD2 HIS A 75 -3.423 5.516 -4.727 1.00 0.78 H new ATOM 0 HE1 HIS A 75 -2.939 9.605 -5.875 1.00 0.86 H new ATOM 1164 N SER A 76 0.329 7.121 -7.298 1.00 0.46 N ATOM 1165 CA SER A 76 0.851 8.478 -7.336 1.00 0.54 C ATOM 1166 C SER A 76 1.270 8.777 -8.752 1.00 0.48 C ATOM 1167 O SER A 76 2.154 8.143 -9.304 1.00 0.61 O ATOM 1168 CB SER A 76 2.021 8.686 -6.369 1.00 0.80 C ATOM 1169 OG SER A 76 1.523 9.024 -5.092 1.00 1.56 O ATOM 0 H SER A 76 0.702 6.569 -6.525 1.00 0.46 H new ATOM 0 HA SER A 76 0.068 9.164 -7.012 1.00 0.54 H new ATOM 0 HB2 SER A 76 2.622 7.779 -6.308 1.00 0.80 H new ATOM 0 HB3 SER A 76 2.675 9.477 -6.737 1.00 0.80 H new ATOM 0 HG SER A 76 0.929 8.313 -4.774 1.00 1.56 H new ATOM 1175 N THR A 77 0.586 9.742 -9.340 1.00 0.75 N ATOM 1176 CA THR A 77 0.808 10.191 -10.699 1.00 1.04 C ATOM 1177 C THR A 77 2.299 10.380 -10.957 1.00 0.90 C ATOM 1178 O THR A 77 2.803 9.985 -12.009 1.00 1.06 O ATOM 1179 CB THR A 77 0.000 11.467 -10.925 1.00 1.49 C ATOM 1180 OG1 THR A 77 -0.069 12.210 -9.722 1.00 1.57 O ATOM 1181 CG2 THR A 77 -1.423 11.090 -11.337 1.00 1.91 C ATOM 0 H THR A 77 -0.162 10.250 -8.868 1.00 0.75 H new ATOM 0 HA THR A 77 0.468 9.443 -11.415 1.00 1.04 H new ATOM 0 HB THR A 77 0.481 12.062 -11.702 1.00 1.49 H new ATOM 0 HG1 THR A 77 -0.587 13.028 -9.872 1.00 1.57 H new ATOM 0 HG21 THR A 77 -2.007 11.996 -11.500 1.00 1.91 H new ATOM 0 HG22 THR A 77 -1.393 10.507 -12.257 1.00 1.91 H new ATOM 0 HG23 THR A 77 -1.886 10.498 -10.547 1.00 1.91 H new ATOM 1189 N ASP A 78 3.010 10.912 -9.963 1.00 0.73 N ATOM 1190 CA ASP A 78 4.462 10.916 -9.990 1.00 0.58 C ATOM 1191 C ASP A 78 5.026 9.499 -10.123 1.00 0.47 C ATOM 1192 O ASP A 78 5.107 8.722 -9.169 1.00 0.46 O ATOM 1193 CB ASP A 78 5.058 11.604 -8.768 1.00 0.76 C ATOM 1194 CG ASP A 78 6.575 11.473 -8.859 1.00 0.86 C ATOM 1195 OD1 ASP A 78 7.091 11.479 -10.005 1.00 1.62 O ATOM 1196 OD2 ASP A 78 7.190 11.252 -7.799 1.00 2.04 O ATOM 0 H ASP A 78 2.601 11.343 -9.134 1.00 0.73 H new ATOM 0 HA ASP A 78 4.751 11.489 -10.871 1.00 0.58 H new ATOM 0 HB2 ASP A 78 4.765 12.654 -8.739 1.00 0.76 H new ATOM 0 HB3 ASP A 78 4.688 11.144 -7.851 1.00 0.76 H new ATOM 1201 N HIS A 79 5.496 9.199 -11.333 1.00 0.55 N ATOM 1202 CA HIS A 79 6.232 7.989 -11.646 1.00 0.77 C ATOM 1203 C HIS A 79 7.329 7.692 -10.632 1.00 0.78 C ATOM 1204 O HIS A 79 7.566 6.525 -10.347 1.00 0.85 O ATOM 1205 CB HIS A 79 6.805 8.072 -13.065 1.00 1.09 C ATOM 1206 CG HIS A 79 8.010 8.971 -13.215 1.00 2.59 C ATOM 1207 ND1 HIS A 79 9.224 8.588 -13.756 1.00 3.79 N ATOM 1208 CD2 HIS A 79 8.122 10.272 -12.798 1.00 4.05 C ATOM 1209 CE1 HIS A 79 10.061 9.641 -13.665 1.00 5.05 C ATOM 1210 NE2 HIS A 79 9.412 10.672 -13.085 1.00 5.26 N ATOM 0 H HIS A 79 5.369 9.811 -12.139 1.00 0.55 H new ATOM 0 HA HIS A 79 5.529 7.158 -11.593 1.00 0.77 H new ATOM 0 HB2 HIS A 79 7.077 7.068 -13.390 1.00 1.09 H new ATOM 0 HB3 HIS A 79 6.022 8.424 -13.737 1.00 1.09 H new ATOM 0 HD2 HIS A 79 7.350 10.869 -12.335 1.00 4.05 H new ATOM 0 HE1 HIS A 79 11.087 9.657 -14.002 1.00 5.05 H new ATOM 0 HE2 HIS A 79 9.808 11.592 -12.891 1.00 5.26 H new ATOM 1219 N ALA A 80 8.036 8.700 -10.123 1.00 0.82 N ATOM 1220 CA ALA A 80 9.139 8.449 -9.216 1.00 0.95 C ATOM 1221 C ALA A 80 8.617 7.743 -7.976 1.00 0.76 C ATOM 1222 O ALA A 80 9.046 6.630 -7.698 1.00 0.65 O ATOM 1223 CB ALA A 80 9.873 9.731 -8.845 1.00 1.12 C ATOM 0 H ALA A 80 7.863 9.685 -10.324 1.00 0.82 H new ATOM 0 HA ALA A 80 9.863 7.809 -9.721 1.00 0.95 H new ATOM 0 HB1 ALA A 80 10.692 9.498 -8.164 1.00 1.12 H new ATOM 0 HB2 ALA A 80 10.272 10.196 -9.747 1.00 1.12 H new ATOM 0 HB3 ALA A 80 9.181 10.418 -8.358 1.00 1.12 H new ATOM 1229 N GLU A 81 7.676 8.353 -7.251 1.00 0.74 N ATOM 1230 CA GLU A 81 7.082 7.777 -6.056 1.00 0.63 C ATOM 1231 C GLU A 81 6.641 6.337 -6.273 1.00 0.51 C ATOM 1232 O GLU A 81 6.854 5.464 -5.430 1.00 0.46 O ATOM 1233 CB GLU A 81 5.954 8.683 -5.546 1.00 0.65 C ATOM 1234 CG GLU A 81 6.218 9.112 -4.100 1.00 0.92 C ATOM 1235 CD GLU A 81 7.427 10.043 -3.911 1.00 2.20 C ATOM 1236 OE1 GLU A 81 8.582 9.568 -4.066 1.00 3.68 O ATOM 1237 OE2 GLU A 81 7.192 11.208 -3.527 1.00 2.95 O ATOM 0 H GLU A 81 7.305 9.273 -7.486 1.00 0.74 H new ATOM 0 HA GLU A 81 7.842 7.727 -5.276 1.00 0.63 H new ATOM 0 HB2 GLU A 81 5.872 9.564 -6.183 1.00 0.65 H new ATOM 0 HB3 GLU A 81 5.002 8.156 -5.606 1.00 0.65 H new ATOM 0 HG2 GLU A 81 5.329 9.613 -3.717 1.00 0.92 H new ATOM 0 HG3 GLU A 81 6.367 8.219 -3.493 1.00 0.92 H new ATOM 1244 N ARG A 82 6.078 6.064 -7.444 1.00 0.49 N ATOM 1245 CA ARG A 82 5.651 4.711 -7.758 1.00 0.43 C ATOM 1246 C ARG A 82 6.842 3.766 -7.818 1.00 0.42 C ATOM 1247 O ARG A 82 6.847 2.720 -7.176 1.00 0.36 O ATOM 1248 CB ARG A 82 4.967 4.709 -9.114 1.00 0.55 C ATOM 1249 CG ARG A 82 3.667 5.485 -9.043 1.00 0.47 C ATOM 1250 CD ARG A 82 3.294 5.861 -10.472 1.00 0.58 C ATOM 1251 NE ARG A 82 1.859 5.686 -10.734 1.00 1.09 N ATOM 1252 CZ ARG A 82 1.150 6.365 -11.644 1.00 2.22 C ATOM 1253 NH1 ARG A 82 1.699 7.367 -12.330 1.00 3.20 N ATOM 1254 NH2 ARG A 82 -0.116 6.024 -11.882 1.00 2.66 N ATOM 0 H ARG A 82 5.910 6.751 -8.179 1.00 0.49 H new ATOM 0 HA ARG A 82 4.969 4.375 -6.978 1.00 0.43 H new ATOM 0 HB2 ARG A 82 5.624 5.153 -9.862 1.00 0.55 H new ATOM 0 HB3 ARG A 82 4.771 3.684 -9.430 1.00 0.55 H new ATOM 0 HG2 ARG A 82 2.883 4.882 -8.586 1.00 0.47 H new ATOM 0 HG3 ARG A 82 3.783 6.377 -8.427 1.00 0.47 H new ATOM 0 HD2 ARG A 82 3.572 6.899 -10.657 1.00 0.58 H new ATOM 0 HD3 ARG A 82 3.866 5.248 -11.169 1.00 0.58 H new ATOM 0 HE ARG A 82 1.363 4.990 -10.177 1.00 1.09 H new ATOM 0 HH11 ARG A 82 2.672 7.625 -12.165 1.00 3.20 H new ATOM 0 HH12 ARG A 82 1.146 7.875 -13.020 1.00 3.20 H new ATOM 0 HH21 ARG A 82 -0.540 5.249 -11.372 1.00 2.66 H new ATOM 0 HH22 ARG A 82 -0.661 6.538 -12.574 1.00 2.66 H new ATOM 1268 N LEU A 83 7.843 4.110 -8.628 1.00 0.48 N ATOM 1269 CA LEU A 83 9.062 3.336 -8.752 1.00 0.49 C ATOM 1270 C LEU A 83 9.819 3.269 -7.433 1.00 0.44 C ATOM 1271 O LEU A 83 10.571 2.320 -7.252 1.00 0.43 O ATOM 1272 CB LEU A 83 9.973 3.856 -9.874 1.00 0.61 C ATOM 1273 CG LEU A 83 9.604 3.368 -11.290 1.00 0.67 C ATOM 1274 CD1 LEU A 83 9.098 1.925 -11.331 1.00 0.65 C ATOM 1275 CD2 LEU A 83 8.551 4.241 -11.967 1.00 0.67 C ATOM 0 H LEU A 83 7.823 4.942 -9.218 1.00 0.48 H new ATOM 0 HA LEU A 83 8.758 2.325 -9.022 1.00 0.49 H new ATOM 0 HB2 LEU A 83 9.951 4.946 -9.864 1.00 0.61 H new ATOM 0 HB3 LEU A 83 10.998 3.556 -9.658 1.00 0.61 H new ATOM 0 HG LEU A 83 10.548 3.434 -11.831 1.00 0.67 H new ATOM 0 HD11 LEU A 83 8.858 1.653 -12.359 1.00 0.65 H new ATOM 0 HD12 LEU A 83 9.871 1.258 -10.949 1.00 0.65 H new ATOM 0 HD13 LEU A 83 8.204 1.835 -10.714 1.00 0.65 H new ATOM 0 HD21 LEU A 83 8.334 3.846 -12.960 1.00 0.67 H new ATOM 0 HD22 LEU A 83 7.639 4.241 -11.369 1.00 0.67 H new ATOM 0 HD23 LEU A 83 8.926 5.260 -12.056 1.00 0.67 H new ATOM 1287 N LYS A 84 9.641 4.202 -6.492 1.00 0.45 N ATOM 1288 CA LYS A 84 10.242 4.014 -5.176 1.00 0.44 C ATOM 1289 C LYS A 84 9.600 2.799 -4.528 1.00 0.36 C ATOM 1290 O LYS A 84 10.316 1.996 -3.945 1.00 0.42 O ATOM 1291 CB LYS A 84 10.105 5.243 -4.263 1.00 0.50 C ATOM 1292 CG LYS A 84 11.252 6.259 -4.395 1.00 0.70 C ATOM 1293 CD LYS A 84 10.931 7.387 -5.379 1.00 0.81 C ATOM 1294 CE LYS A 84 11.839 8.604 -5.201 1.00 1.07 C ATOM 1295 NZ LYS A 84 11.449 9.408 -4.019 1.00 1.64 N ATOM 0 H LYS A 84 9.106 5.062 -6.612 1.00 0.45 H new ATOM 0 HA LYS A 84 11.313 3.865 -5.313 1.00 0.44 H new ATOM 0 HB2 LYS A 84 9.163 5.744 -4.487 1.00 0.50 H new ATOM 0 HB3 LYS A 84 10.049 4.908 -3.227 1.00 0.50 H new ATOM 0 HG2 LYS A 84 11.468 6.687 -3.416 1.00 0.70 H new ATOM 0 HG3 LYS A 84 12.154 5.742 -4.723 1.00 0.70 H new ATOM 0 HD2 LYS A 84 11.028 7.013 -6.398 1.00 0.81 H new ATOM 0 HD3 LYS A 84 9.893 7.692 -5.249 1.00 0.81 H new ATOM 0 HE2 LYS A 84 12.872 8.275 -5.093 1.00 1.07 H new ATOM 0 HE3 LYS A 84 11.795 9.226 -6.095 1.00 1.07 H new ATOM 0 HZ1 LYS A 84 11.864 10.359 -4.093 1.00 1.64 H new ATOM 0 HZ2 LYS A 84 10.413 9.485 -3.978 1.00 1.64 H new ATOM 0 HZ3 LYS A 84 11.796 8.945 -3.155 1.00 1.64 H new ATOM 1309 N VAL A 85 8.279 2.634 -4.631 1.00 0.27 N ATOM 1310 CA VAL A 85 7.658 1.405 -4.155 1.00 0.23 C ATOM 1311 C VAL A 85 8.189 0.216 -4.935 1.00 0.25 C ATOM 1312 O VAL A 85 8.821 -0.632 -4.330 1.00 0.40 O ATOM 1313 CB VAL A 85 6.127 1.491 -4.146 1.00 0.26 C ATOM 1314 CG1 VAL A 85 5.442 0.161 -3.799 1.00 0.36 C ATOM 1315 CG2 VAL A 85 5.755 2.502 -3.076 1.00 0.37 C ATOM 0 H VAL A 85 7.636 3.319 -5.029 1.00 0.27 H new ATOM 0 HA VAL A 85 7.936 1.260 -3.111 1.00 0.23 H new ATOM 0 HB VAL A 85 5.795 1.768 -5.146 1.00 0.26 H new ATOM 0 HG11 VAL A 85 4.360 0.295 -3.811 1.00 0.36 H new ATOM 0 HG12 VAL A 85 5.722 -0.595 -4.533 1.00 0.36 H new ATOM 0 HG13 VAL A 85 5.757 -0.162 -2.807 1.00 0.36 H new ATOM 0 HG21 VAL A 85 4.670 2.600 -3.030 1.00 0.37 H new ATOM 0 HG22 VAL A 85 6.131 2.164 -2.110 1.00 0.37 H new ATOM 0 HG23 VAL A 85 6.197 3.468 -3.319 1.00 0.37 H new ATOM 1325 N GLN A 86 7.968 0.118 -6.247 1.00 0.26 N ATOM 1326 CA GLN A 86 8.348 -1.082 -6.997 1.00 0.32 C ATOM 1327 C GLN A 86 9.793 -1.506 -6.696 1.00 0.33 C ATOM 1328 O GLN A 86 10.063 -2.669 -6.415 1.00 0.40 O ATOM 1329 CB GLN A 86 8.144 -0.848 -8.509 1.00 0.42 C ATOM 1330 CG GLN A 86 6.941 -1.608 -9.094 1.00 0.66 C ATOM 1331 CD GLN A 86 7.315 -2.521 -10.259 1.00 1.06 C ATOM 1332 OE1 GLN A 86 8.328 -3.206 -10.229 1.00 1.91 O ATOM 1333 NE2 GLN A 86 6.494 -2.569 -11.300 1.00 1.95 N ATOM 0 H GLN A 86 7.531 0.848 -6.809 1.00 0.26 H new ATOM 0 HA GLN A 86 7.701 -1.899 -6.677 1.00 0.32 H new ATOM 0 HB2 GLN A 86 8.011 0.219 -8.688 1.00 0.42 H new ATOM 0 HB3 GLN A 86 9.047 -1.150 -9.040 1.00 0.42 H new ATOM 0 HG2 GLN A 86 6.479 -2.204 -8.307 1.00 0.66 H new ATOM 0 HG3 GLN A 86 6.194 -0.889 -9.430 1.00 0.66 H new ATOM 0 HE21 GLN A 86 5.652 -1.993 -11.313 1.00 1.95 H new ATOM 0 HE22 GLN A 86 6.704 -3.182 -12.088 1.00 1.95 H new ATOM 1342 N LYS A 87 10.722 -0.553 -6.731 1.00 0.35 N ATOM 1343 CA LYS A 87 12.131 -0.769 -6.455 1.00 0.44 C ATOM 1344 C LYS A 87 12.362 -1.235 -5.021 1.00 0.43 C ATOM 1345 O LYS A 87 13.074 -2.210 -4.802 1.00 0.49 O ATOM 1346 CB LYS A 87 12.858 0.545 -6.746 1.00 0.58 C ATOM 1347 CG LYS A 87 14.374 0.418 -6.648 1.00 0.80 C ATOM 1348 CD LYS A 87 15.031 1.672 -7.240 1.00 0.83 C ATOM 1349 CE LYS A 87 16.344 1.303 -7.930 1.00 1.90 C ATOM 1350 NZ LYS A 87 17.417 0.981 -6.966 1.00 2.13 N ATOM 0 H LYS A 87 10.504 0.417 -6.959 1.00 0.35 H new ATOM 0 HA LYS A 87 12.521 -1.565 -7.089 1.00 0.44 H new ATOM 0 HB2 LYS A 87 12.591 0.889 -7.745 1.00 0.58 H new ATOM 0 HB3 LYS A 87 12.516 1.307 -6.045 1.00 0.58 H new ATOM 0 HG2 LYS A 87 14.673 0.295 -5.607 1.00 0.80 H new ATOM 0 HG3 LYS A 87 14.711 -0.470 -7.184 1.00 0.80 H new ATOM 0 HD2 LYS A 87 14.356 2.143 -7.955 1.00 0.83 H new ATOM 0 HD3 LYS A 87 15.218 2.400 -6.451 1.00 0.83 H new ATOM 0 HE2 LYS A 87 16.179 0.447 -8.585 1.00 1.90 H new ATOM 0 HE3 LYS A 87 16.664 2.131 -8.562 1.00 1.90 H new ATOM 0 HZ1 LYS A 87 18.286 0.738 -7.483 1.00 2.13 H new ATOM 0 HZ2 LYS A 87 17.595 1.805 -6.357 1.00 2.13 H new ATOM 0 HZ3 LYS A 87 17.125 0.173 -6.379 1.00 2.13 H new ATOM 1364 N ASN A 88 11.797 -0.528 -4.045 1.00 0.40 N ATOM 1365 CA ASN A 88 12.026 -0.804 -2.630 1.00 0.42 C ATOM 1366 C ASN A 88 11.050 -1.863 -2.113 1.00 0.57 C ATOM 1367 O ASN A 88 11.013 -2.102 -0.911 1.00 1.07 O ATOM 1368 CB ASN A 88 11.864 0.470 -1.783 1.00 0.48 C ATOM 1369 CG ASN A 88 12.781 1.620 -2.187 1.00 0.50 C ATOM 1370 OD1 ASN A 88 13.621 1.508 -3.076 1.00 0.86 O ATOM 1371 ND2 ASN A 88 12.639 2.761 -1.523 1.00 0.94 N ATOM 0 H ASN A 88 11.166 0.255 -4.215 1.00 0.40 H new ATOM 0 HA ASN A 88 13.048 -1.173 -2.538 1.00 0.42 H new ATOM 0 HB2 ASN A 88 10.829 0.806 -1.850 1.00 0.48 H new ATOM 0 HB3 ASN A 88 12.052 0.223 -0.738 1.00 0.48 H new ATOM 0 HD21 ASN A 88 13.232 3.560 -1.749 1.00 0.94 H new ATOM 0 HD22 ASN A 88 11.937 2.839 -0.787 1.00 0.94 H new ATOM 1378 N ALA A 89 10.233 -2.449 -2.992 1.00 0.32 N ATOM 1379 CA ALA A 89 9.198 -3.408 -2.669 1.00 0.31 C ATOM 1380 C ALA A 89 8.794 -4.161 -3.937 1.00 0.36 C ATOM 1381 O ALA A 89 7.676 -3.979 -4.433 1.00 0.37 O ATOM 1382 CB ALA A 89 7.985 -2.673 -2.100 1.00 0.34 C ATOM 0 H ALA A 89 10.285 -2.252 -3.991 1.00 0.32 H new ATOM 0 HA ALA A 89 9.571 -4.116 -1.929 1.00 0.31 H new ATOM 0 HB1 ALA A 89 7.204 -3.394 -1.856 1.00 0.34 H new ATOM 0 HB2 ALA A 89 8.276 -2.134 -1.198 1.00 0.34 H new ATOM 0 HB3 ALA A 89 7.608 -1.966 -2.839 1.00 0.34 H new ATOM 1388 N PRO A 90 9.679 -5.016 -4.472 1.00 0.51 N ATOM 1389 CA PRO A 90 9.490 -5.702 -5.745 1.00 0.68 C ATOM 1390 C PRO A 90 8.558 -6.910 -5.580 1.00 0.91 C ATOM 1391 O PRO A 90 8.943 -8.050 -5.827 1.00 1.96 O ATOM 1392 CB PRO A 90 10.911 -6.094 -6.172 1.00 0.86 C ATOM 1393 CG PRO A 90 11.619 -6.337 -4.839 1.00 0.84 C ATOM 1394 CD PRO A 90 11.016 -5.252 -3.950 1.00 0.63 C ATOM 0 HA PRO A 90 9.007 -5.085 -6.502 1.00 0.68 H new ATOM 0 HB2 PRO A 90 10.912 -6.987 -6.798 1.00 0.86 H new ATOM 0 HB3 PRO A 90 11.392 -5.302 -6.746 1.00 0.86 H new ATOM 0 HG2 PRO A 90 11.424 -7.337 -4.451 1.00 0.84 H new ATOM 0 HG3 PRO A 90 12.701 -6.236 -4.928 1.00 0.84 H new ATOM 0 HD2 PRO A 90 10.979 -5.574 -2.909 1.00 0.63 H new ATOM 0 HD3 PRO A 90 11.615 -4.342 -3.981 1.00 0.63 H new ATOM 1402 N LYS A 91 7.324 -6.658 -5.134 1.00 0.56 N ATOM 1403 CA LYS A 91 6.312 -7.634 -4.754 1.00 0.55 C ATOM 1404 C LYS A 91 5.079 -6.912 -4.204 1.00 0.50 C ATOM 1405 O LYS A 91 3.969 -7.184 -4.646 1.00 0.52 O ATOM 1406 CB LYS A 91 6.862 -8.696 -3.777 1.00 0.58 C ATOM 1407 CG LYS A 91 7.736 -8.147 -2.632 1.00 1.10 C ATOM 1408 CD LYS A 91 9.227 -8.519 -2.713 1.00 1.86 C ATOM 1409 CE LYS A 91 9.670 -9.380 -1.526 1.00 2.13 C ATOM 1410 NZ LYS A 91 9.374 -10.815 -1.698 1.00 2.35 N ATOM 0 H LYS A 91 6.988 -5.701 -5.023 1.00 0.56 H new ATOM 0 HA LYS A 91 6.013 -8.187 -5.644 1.00 0.55 H new ATOM 0 HB2 LYS A 91 6.021 -9.237 -3.343 1.00 0.58 H new ATOM 0 HB3 LYS A 91 7.448 -9.419 -4.344 1.00 0.58 H new ATOM 0 HG2 LYS A 91 7.649 -7.061 -2.618 1.00 1.10 H new ATOM 0 HG3 LYS A 91 7.338 -8.511 -1.685 1.00 1.10 H new ATOM 0 HD2 LYS A 91 9.416 -9.057 -3.642 1.00 1.86 H new ATOM 0 HD3 LYS A 91 9.826 -7.609 -2.744 1.00 1.86 H new ATOM 0 HE2 LYS A 91 10.742 -9.254 -1.376 1.00 2.13 H new ATOM 0 HE3 LYS A 91 9.177 -9.021 -0.623 1.00 2.13 H new ATOM 0 HZ1 LYS A 91 9.699 -11.339 -0.861 1.00 2.35 H new ATOM 0 HZ2 LYS A 91 8.349 -10.947 -1.813 1.00 2.35 H new ATOM 0 HZ3 LYS A 91 9.865 -11.172 -2.542 1.00 2.35 H new ATOM 1424 N THR A 92 5.240 -5.959 -3.281 1.00 0.46 N ATOM 1425 CA THR A 92 4.116 -5.222 -2.705 1.00 0.39 C ATOM 1426 C THR A 92 3.307 -4.518 -3.777 1.00 0.37 C ATOM 1427 O THR A 92 2.081 -4.557 -3.755 1.00 0.36 O ATOM 1428 CB THR A 92 4.646 -4.182 -1.728 1.00 0.36 C ATOM 1429 OG1 THR A 92 5.604 -4.824 -0.928 1.00 0.37 O ATOM 1430 CG2 THR A 92 3.558 -3.600 -0.824 1.00 0.39 C ATOM 0 H THR A 92 6.150 -5.679 -2.915 1.00 0.46 H new ATOM 0 HA THR A 92 3.469 -5.936 -2.196 1.00 0.39 H new ATOM 0 HB THR A 92 5.059 -3.349 -2.297 1.00 0.36 H new ATOM 0 HG1 THR A 92 5.245 -4.949 -0.025 1.00 0.37 H new ATOM 0 HG21 THR A 92 3.999 -2.865 -0.151 1.00 0.39 H new ATOM 0 HG22 THR A 92 2.795 -3.119 -1.436 1.00 0.39 H new ATOM 0 HG23 THR A 92 3.104 -4.400 -0.240 1.00 0.39 H new ATOM 1438 N PHE A 93 3.982 -3.883 -4.732 1.00 0.39 N ATOM 1439 CA PHE A 93 3.270 -3.256 -5.836 1.00 0.41 C ATOM 1440 C PHE A 93 2.364 -4.266 -6.509 1.00 0.40 C ATOM 1441 O PHE A 93 1.183 -4.015 -6.734 1.00 0.41 O ATOM 1442 CB PHE A 93 4.281 -2.700 -6.834 1.00 0.48 C ATOM 1443 CG PHE A 93 3.779 -1.573 -7.719 1.00 0.61 C ATOM 1444 CD1 PHE A 93 2.822 -1.816 -8.725 1.00 2.04 C ATOM 1445 CD2 PHE A 93 4.299 -0.273 -7.559 1.00 2.09 C ATOM 1446 CE1 PHE A 93 2.394 -0.771 -9.561 1.00 2.04 C ATOM 1447 CE2 PHE A 93 3.885 0.767 -8.408 1.00 2.23 C ATOM 1448 CZ PHE A 93 2.930 0.520 -9.409 1.00 1.00 C ATOM 0 H PHE A 93 4.997 -3.791 -4.763 1.00 0.39 H new ATOM 0 HA PHE A 93 2.654 -2.440 -5.458 1.00 0.41 H new ATOM 0 HB2 PHE A 93 5.151 -2.344 -6.282 1.00 0.48 H new ATOM 0 HB3 PHE A 93 4.620 -3.516 -7.473 1.00 0.48 H new ATOM 0 HD1 PHE A 93 2.416 -2.809 -8.854 1.00 2.04 H new ATOM 0 HD2 PHE A 93 5.020 -0.075 -6.779 1.00 2.09 H new ATOM 0 HE1 PHE A 93 1.652 -0.960 -10.322 1.00 2.04 H new ATOM 0 HE2 PHE A 93 4.301 1.757 -8.291 1.00 2.23 H new ATOM 0 HZ PHE A 93 2.609 1.320 -10.060 1.00 1.00 H new ATOM 1458 N GLN A 94 2.938 -5.428 -6.803 1.00 0.43 N ATOM 1459 CA GLN A 94 2.213 -6.493 -7.449 1.00 0.48 C ATOM 1460 C GLN A 94 1.026 -6.952 -6.593 1.00 0.44 C ATOM 1461 O GLN A 94 0.031 -7.408 -7.141 1.00 0.52 O ATOM 1462 CB GLN A 94 3.157 -7.659 -7.767 1.00 0.55 C ATOM 1463 CG GLN A 94 2.612 -8.465 -8.951 1.00 0.93 C ATOM 1464 CD GLN A 94 3.447 -9.713 -9.232 1.00 1.03 C ATOM 1465 OE1 GLN A 94 4.166 -10.208 -8.372 1.00 1.17 O ATOM 1466 NE2 GLN A 94 3.362 -10.254 -10.441 1.00 1.56 N ATOM 0 H GLN A 94 3.913 -5.648 -6.598 1.00 0.43 H new ATOM 0 HA GLN A 94 1.808 -6.116 -8.388 1.00 0.48 H new ATOM 0 HB2 GLN A 94 4.151 -7.279 -8.002 1.00 0.55 H new ATOM 0 HB3 GLN A 94 3.260 -8.303 -6.894 1.00 0.55 H new ATOM 0 HG2 GLN A 94 1.582 -8.757 -8.746 1.00 0.93 H new ATOM 0 HG3 GLN A 94 2.593 -7.834 -9.840 1.00 0.93 H new ATOM 0 HE21 GLN A 94 2.760 -9.832 -11.147 1.00 1.56 H new ATOM 0 HE22 GLN A 94 3.899 -11.092 -10.664 1.00 1.56 H new ATOM 1475 N PHE A 95 1.120 -6.844 -5.263 1.00 0.40 N ATOM 1476 CA PHE A 95 0.094 -7.294 -4.322 1.00 0.48 C ATOM 1477 C PHE A 95 -1.175 -6.486 -4.552 1.00 0.53 C ATOM 1478 O PHE A 95 -2.223 -7.036 -4.883 1.00 0.61 O ATOM 1479 CB PHE A 95 0.619 -7.138 -2.882 1.00 0.53 C ATOM 1480 CG PHE A 95 -0.157 -7.781 -1.744 1.00 0.75 C ATOM 1481 CD1 PHE A 95 -1.562 -7.730 -1.657 1.00 0.71 C ATOM 1482 CD2 PHE A 95 0.570 -8.341 -0.681 1.00 1.31 C ATOM 1483 CE1 PHE A 95 -2.224 -8.302 -0.554 1.00 0.95 C ATOM 1484 CE2 PHE A 95 -0.085 -8.896 0.431 1.00 1.62 C ATOM 1485 CZ PHE A 95 -1.487 -8.891 0.488 1.00 1.36 C ATOM 0 H PHE A 95 1.931 -6.431 -4.803 1.00 0.40 H new ATOM 0 HA PHE A 95 -0.139 -8.347 -4.479 1.00 0.48 H new ATOM 0 HB2 PHE A 95 1.633 -7.537 -2.856 1.00 0.53 H new ATOM 0 HB3 PHE A 95 0.690 -6.071 -2.671 1.00 0.53 H new ATOM 0 HD1 PHE A 95 -2.133 -7.251 -2.439 1.00 0.71 H new ATOM 0 HD2 PHE A 95 1.649 -8.345 -0.719 1.00 1.31 H new ATOM 0 HE1 PHE A 95 -3.303 -8.288 -0.508 1.00 0.95 H new ATOM 0 HE2 PHE A 95 0.489 -9.325 1.239 1.00 1.62 H new ATOM 0 HZ PHE A 95 -1.997 -9.338 1.328 1.00 1.36 H new ATOM 1495 N ILE A 96 -1.090 -5.171 -4.353 1.00 0.54 N ATOM 1496 CA ILE A 96 -2.205 -4.271 -4.591 1.00 0.65 C ATOM 1497 C ILE A 96 -2.716 -4.498 -6.015 1.00 0.72 C ATOM 1498 O ILE A 96 -3.920 -4.597 -6.225 1.00 0.91 O ATOM 1499 CB ILE A 96 -1.790 -2.809 -4.339 1.00 0.63 C ATOM 1500 CG1 ILE A 96 -1.540 -2.483 -2.854 1.00 0.78 C ATOM 1501 CG2 ILE A 96 -2.909 -1.852 -4.733 1.00 0.75 C ATOM 1502 CD1 ILE A 96 -0.138 -2.808 -2.373 1.00 0.99 C ATOM 0 H ILE A 96 -0.245 -4.705 -4.023 1.00 0.54 H new ATOM 0 HA ILE A 96 -3.017 -4.480 -3.894 1.00 0.65 H new ATOM 0 HB ILE A 96 -0.879 -2.690 -4.926 1.00 0.63 H new ATOM 0 HG12 ILE A 96 -1.732 -1.423 -2.689 1.00 0.78 H new ATOM 0 HG13 ILE A 96 -2.257 -3.035 -2.247 1.00 0.78 H new ATOM 0 HG21 ILE A 96 -2.593 -0.826 -4.546 1.00 0.75 H new ATOM 0 HG22 ILE A 96 -3.136 -1.974 -5.792 1.00 0.75 H new ATOM 0 HG23 ILE A 96 -3.799 -2.070 -4.143 1.00 0.75 H new ATOM 0 HD11 ILE A 96 -0.046 -2.549 -1.318 1.00 0.99 H new ATOM 0 HD12 ILE A 96 0.053 -3.873 -2.503 1.00 0.99 H new ATOM 0 HD13 ILE A 96 0.587 -2.236 -2.952 1.00 0.99 H new ATOM 1514 N ASN A 97 -1.810 -4.595 -6.992 1.00 0.64 N ATOM 1515 CA ASN A 97 -2.195 -4.804 -8.384 1.00 0.77 C ATOM 1516 C ASN A 97 -3.027 -6.073 -8.573 1.00 0.87 C ATOM 1517 O ASN A 97 -3.889 -6.109 -9.443 1.00 1.01 O ATOM 1518 CB ASN A 97 -0.958 -4.859 -9.293 1.00 0.76 C ATOM 1519 CG ASN A 97 -0.989 -3.738 -10.320 1.00 1.04 C ATOM 1520 OD1 ASN A 97 -0.637 -2.604 -10.020 1.00 1.87 O ATOM 1521 ND2 ASN A 97 -1.405 -4.029 -11.544 1.00 1.59 N ATOM 0 H ASN A 97 -0.803 -4.531 -6.841 1.00 0.64 H new ATOM 0 HA ASN A 97 -2.814 -3.952 -8.665 1.00 0.77 H new ATOM 0 HB2 ASN A 97 -0.054 -4.779 -8.689 1.00 0.76 H new ATOM 0 HB3 ASN A 97 -0.918 -5.822 -9.801 1.00 0.76 H new ATOM 0 HD21 ASN A 97 -1.437 -3.302 -12.258 1.00 1.59 H new ATOM 0 HD22 ASN A 97 -1.694 -4.980 -11.772 1.00 1.59 H new ATOM 1528 N ASP A 98 -2.726 -7.121 -7.805 1.00 0.80 N ATOM 1529 CA ASP A 98 -3.429 -8.401 -7.827 1.00 0.90 C ATOM 1530 C ASP A 98 -4.868 -8.192 -7.359 1.00 1.04 C ATOM 1531 O ASP A 98 -5.811 -8.742 -7.925 1.00 1.26 O ATOM 1532 CB ASP A 98 -2.711 -9.404 -6.902 1.00 0.85 C ATOM 1533 CG ASP A 98 -2.280 -10.696 -7.593 1.00 1.08 C ATOM 1534 OD1 ASP A 98 -2.921 -11.093 -8.585 1.00 1.67 O ATOM 1535 OD2 ASP A 98 -1.294 -11.290 -7.092 1.00 2.35 O ATOM 0 H ASP A 98 -1.962 -7.100 -7.130 1.00 0.80 H new ATOM 0 HA ASP A 98 -3.435 -8.800 -8.841 1.00 0.90 H new ATOM 0 HB2 ASP A 98 -1.831 -8.922 -6.476 1.00 0.85 H new ATOM 0 HB3 ASP A 98 -3.372 -9.652 -6.072 1.00 0.85 H new ATOM 1540 N GLN A 99 -5.045 -7.392 -6.304 1.00 0.95 N ATOM 1541 CA GLN A 99 -6.349 -7.088 -5.736 1.00 1.09 C ATOM 1542 C GLN A 99 -7.057 -6.012 -6.565 1.00 1.13 C ATOM 1543 O GLN A 99 -7.281 -4.899 -6.099 1.00 1.53 O ATOM 1544 CB GLN A 99 -6.179 -6.625 -4.284 1.00 1.10 C ATOM 1545 CG GLN A 99 -5.668 -7.740 -3.361 1.00 1.47 C ATOM 1546 CD GLN A 99 -6.698 -8.854 -3.198 1.00 2.06 C ATOM 1547 OE1 GLN A 99 -6.525 -9.961 -3.690 1.00 3.08 O ATOM 1548 NE2 GLN A 99 -7.797 -8.582 -2.508 1.00 2.75 N ATOM 0 H GLN A 99 -4.273 -6.935 -5.819 1.00 0.95 H new ATOM 0 HA GLN A 99 -6.965 -7.987 -5.753 1.00 1.09 H new ATOM 0 HB2 GLN A 99 -5.483 -5.787 -4.254 1.00 1.10 H new ATOM 0 HB3 GLN A 99 -7.135 -6.259 -3.910 1.00 1.10 H new ATOM 0 HG2 GLN A 99 -4.745 -8.154 -3.767 1.00 1.47 H new ATOM 0 HG3 GLN A 99 -5.427 -7.322 -2.384 1.00 1.47 H new ATOM 0 HE21 GLN A 99 -7.929 -7.655 -2.103 1.00 2.75 H new ATOM 0 HE22 GLN A 99 -8.511 -9.300 -2.382 1.00 2.75 H new ATOM 1557 N ILE A 100 -7.460 -6.371 -7.785 1.00 1.67 N ATOM 1558 CA ILE A 100 -8.172 -5.492 -8.707 1.00 1.85 C ATOM 1559 C ILE A 100 -9.524 -5.111 -8.099 1.00 2.30 C ATOM 1560 O ILE A 100 -9.742 -3.967 -7.703 1.00 2.98 O ATOM 1561 CB ILE A 100 -8.327 -6.178 -10.085 1.00 3.10 C ATOM 1562 CG1 ILE A 100 -6.960 -6.416 -10.750 1.00 3.91 C ATOM 1563 CG2 ILE A 100 -9.219 -5.328 -11.007 1.00 3.71 C ATOM 1564 CD1 ILE A 100 -7.036 -7.469 -11.864 1.00 5.53 C ATOM 0 H ILE A 100 -7.295 -7.303 -8.166 1.00 1.67 H new ATOM 0 HA ILE A 100 -7.602 -4.576 -8.866 1.00 1.85 H new ATOM 0 HB ILE A 100 -8.798 -7.147 -9.923 1.00 3.10 H new ATOM 0 HG12 ILE A 100 -6.590 -5.478 -11.163 1.00 3.91 H new ATOM 0 HG13 ILE A 100 -6.242 -6.738 -9.996 1.00 3.91 H new ATOM 0 HG21 ILE A 100 -9.319 -5.823 -11.973 1.00 3.71 H new ATOM 0 HG22 ILE A 100 -10.204 -5.212 -10.555 1.00 3.71 H new ATOM 0 HG23 ILE A 100 -8.766 -4.346 -11.147 1.00 3.71 H new ATOM 0 HD11 ILE A 100 -6.048 -7.604 -12.305 1.00 5.53 H new ATOM 0 HD12 ILE A 100 -7.380 -8.416 -11.447 1.00 5.53 H new ATOM 0 HD13 ILE A 100 -7.734 -7.136 -12.632 1.00 5.53 H new ATOM 1576 N LYS A 101 -10.440 -6.084 -8.022 1.00 3.51 N ATOM 1577 CA LYS A 101 -11.828 -5.869 -7.627 1.00 4.46 C ATOM 1578 C LYS A 101 -12.463 -4.733 -8.448 1.00 3.83 C ATOM 1579 O LYS A 101 -11.990 -4.383 -9.524 1.00 4.00 O ATOM 1580 CB LYS A 101 -11.880 -5.606 -6.107 1.00 5.46 C ATOM 1581 CG LYS A 101 -13.081 -6.288 -5.436 1.00 7.29 C ATOM 1582 CD LYS A 101 -13.586 -5.461 -4.247 1.00 8.50 C ATOM 1583 CE LYS A 101 -14.439 -6.280 -3.270 1.00 10.52 C ATOM 1584 NZ LYS A 101 -15.482 -7.079 -3.951 1.00 11.38 N ATOM 0 H LYS A 101 -10.229 -7.058 -8.237 1.00 3.51 H new ATOM 0 HA LYS A 101 -12.419 -6.760 -7.838 1.00 4.46 H new ATOM 0 HB2 LYS A 101 -10.959 -5.964 -5.647 1.00 5.46 H new ATOM 0 HB3 LYS A 101 -11.929 -4.532 -5.928 1.00 5.46 H new ATOM 0 HG2 LYS A 101 -13.884 -6.416 -6.162 1.00 7.29 H new ATOM 0 HG3 LYS A 101 -12.796 -7.284 -5.097 1.00 7.29 H new ATOM 0 HD2 LYS A 101 -12.733 -5.042 -3.714 1.00 8.50 H new ATOM 0 HD3 LYS A 101 -14.173 -4.621 -4.618 1.00 8.50 H new ATOM 0 HE2 LYS A 101 -13.792 -6.946 -2.700 1.00 10.52 H new ATOM 0 HE3 LYS A 101 -14.912 -5.607 -2.555 1.00 10.52 H new ATOM 0 HZ1 LYS A 101 -16.142 -7.462 -3.245 1.00 11.38 H new ATOM 0 HZ2 LYS A 101 -16.002 -6.474 -4.618 1.00 11.38 H new ATOM 0 HZ3 LYS A 101 -15.036 -7.863 -4.469 1.00 11.38 H new ATOM 1598 N PHE A 102 -13.563 -4.178 -7.947 1.00 3.82 N ATOM 1599 CA PHE A 102 -14.092 -2.881 -8.332 1.00 3.53 C ATOM 1600 C PHE A 102 -14.948 -2.453 -7.147 1.00 3.19 C ATOM 1601 O PHE A 102 -15.849 -3.197 -6.762 1.00 3.49 O ATOM 1602 CB PHE A 102 -14.947 -2.975 -9.608 1.00 4.33 C ATOM 1603 CG PHE A 102 -14.287 -2.396 -10.846 1.00 4.31 C ATOM 1604 CD1 PHE A 102 -14.251 -1.000 -11.031 1.00 4.80 C ATOM 1605 CD2 PHE A 102 -13.726 -3.241 -11.822 1.00 4.94 C ATOM 1606 CE1 PHE A 102 -13.663 -0.454 -12.185 1.00 5.69 C ATOM 1607 CE2 PHE A 102 -13.138 -2.696 -12.977 1.00 5.64 C ATOM 1608 CZ PHE A 102 -13.107 -1.302 -13.159 1.00 5.95 C ATOM 0 H PHE A 102 -14.129 -4.640 -7.235 1.00 3.82 H new ATOM 0 HA PHE A 102 -13.297 -2.171 -8.558 1.00 3.53 H new ATOM 0 HB2 PHE A 102 -15.187 -4.022 -9.794 1.00 4.33 H new ATOM 0 HB3 PHE A 102 -15.891 -2.457 -9.438 1.00 4.33 H new ATOM 0 HD1 PHE A 102 -14.677 -0.347 -10.284 1.00 4.80 H new ATOM 0 HD2 PHE A 102 -13.747 -4.312 -11.683 1.00 4.94 H new ATOM 0 HE1 PHE A 102 -13.638 0.617 -12.324 1.00 5.69 H new ATOM 0 HE2 PHE A 102 -12.710 -3.348 -13.724 1.00 5.64 H new ATOM 0 HZ PHE A 102 -12.656 -0.883 -14.047 1.00 5.95 H new ATOM 1618 N ILE A 103 -14.655 -1.313 -6.522 1.00 2.90 N ATOM 1619 CA ILE A 103 -15.489 -0.766 -5.472 1.00 2.73 C ATOM 1620 C ILE A 103 -15.328 0.749 -5.460 1.00 2.73 C ATOM 1621 O ILE A 103 -14.198 1.229 -5.421 1.00 3.18 O ATOM 1622 CB ILE A 103 -15.136 -1.440 -4.145 1.00 2.91 C ATOM 1623 CG1 ILE A 103 -16.196 -1.169 -3.070 1.00 2.93 C ATOM 1624 CG2 ILE A 103 -13.771 -1.008 -3.629 1.00 3.13 C ATOM 1625 CD1 ILE A 103 -17.474 -1.983 -3.297 1.00 3.86 C ATOM 0 H ILE A 103 -13.832 -0.749 -6.735 1.00 2.90 H new ATOM 0 HA ILE A 103 -16.546 -0.970 -5.646 1.00 2.73 H new ATOM 0 HB ILE A 103 -15.106 -2.510 -4.350 1.00 2.91 H new ATOM 0 HG12 ILE A 103 -15.785 -1.408 -2.089 1.00 2.93 H new ATOM 0 HG13 ILE A 103 -16.441 -0.107 -3.063 1.00 2.93 H new ATOM 0 HG21 ILE A 103 -13.563 -1.512 -2.685 1.00 3.13 H new ATOM 0 HG22 ILE A 103 -13.006 -1.273 -4.358 1.00 3.13 H new ATOM 0 HG23 ILE A 103 -13.766 0.071 -3.473 1.00 3.13 H new ATOM 0 HD11 ILE A 103 -18.194 -1.757 -2.511 1.00 3.86 H new ATOM 0 HD12 ILE A 103 -17.902 -1.726 -4.266 1.00 3.86 H new ATOM 0 HD13 ILE A 103 -17.236 -3.047 -3.276 1.00 3.86 H new ATOM 1637 N ILE A 104 -16.455 1.470 -5.497 1.00 3.04 N ATOM 1638 CA ILE A 104 -16.536 2.922 -5.652 1.00 3.35 C ATOM 1639 C ILE A 104 -16.000 3.310 -7.039 1.00 3.38 C ATOM 1640 O ILE A 104 -14.974 2.814 -7.493 1.00 4.08 O ATOM 1641 CB ILE A 104 -15.858 3.647 -4.469 1.00 4.73 C ATOM 1642 CG1 ILE A 104 -16.464 3.204 -3.118 1.00 5.92 C ATOM 1643 CG2 ILE A 104 -16.017 5.170 -4.583 1.00 5.60 C ATOM 1644 CD1 ILE A 104 -15.392 3.092 -2.030 1.00 7.53 C ATOM 0 H ILE A 104 -17.374 1.035 -5.416 1.00 3.04 H new ATOM 0 HA ILE A 104 -17.573 3.255 -5.614 1.00 3.35 H new ATOM 0 HB ILE A 104 -14.802 3.381 -4.507 1.00 4.73 H new ATOM 0 HG12 ILE A 104 -17.225 3.920 -2.808 1.00 5.92 H new ATOM 0 HG13 ILE A 104 -16.962 2.242 -3.240 1.00 5.92 H new ATOM 0 HG21 ILE A 104 -15.529 5.651 -3.735 1.00 5.60 H new ATOM 0 HG22 ILE A 104 -15.559 5.515 -5.510 1.00 5.60 H new ATOM 0 HG23 ILE A 104 -17.076 5.426 -4.585 1.00 5.60 H new ATOM 0 HD11 ILE A 104 -15.855 2.778 -1.094 1.00 7.53 H new ATOM 0 HD12 ILE A 104 -14.645 2.357 -2.330 1.00 7.53 H new ATOM 0 HD13 ILE A 104 -14.912 4.061 -1.891 1.00 7.53 H new ATOM 1656 N ASN A 105 -16.720 4.172 -7.756 1.00 3.64 N ATOM 1657 CA ASN A 105 -16.325 4.577 -9.098 1.00 4.74 C ATOM 1658 C ASN A 105 -16.257 6.095 -9.135 1.00 5.53 C ATOM 1659 O ASN A 105 -16.821 6.748 -8.253 1.00 5.60 O ATOM 1660 CB ASN A 105 -17.320 4.034 -10.137 1.00 5.27 C ATOM 1661 CG ASN A 105 -16.657 3.804 -11.492 1.00 6.53 C ATOM 1662 OD1 ASN A 105 -15.530 4.217 -11.732 1.00 7.32 O ATOM 1663 ND2 ASN A 105 -17.324 3.083 -12.384 1.00 7.35 N ATOM 0 H ASN A 105 -17.583 4.603 -7.425 1.00 3.64 H new ATOM 0 HA ASN A 105 -15.347 4.165 -9.346 1.00 4.74 H new ATOM 0 HB2 ASN A 105 -17.746 3.097 -9.777 1.00 5.27 H new ATOM 0 HB3 ASN A 105 -18.146 4.736 -10.251 1.00 5.27 H new ATOM 0 HD21 ASN A 105 -16.898 2.865 -13.285 1.00 7.35 H new ATOM 0 HD22 ASN A 105 -18.262 2.746 -12.169 1.00 7.35 H new ATOM 1670 N SER A 106 -15.569 6.645 -10.131 1.00 6.66 N ATOM 1671 CA SER A 106 -15.658 8.060 -10.435 1.00 7.67 C ATOM 1672 C SER A 106 -17.003 8.358 -11.094 1.00 8.20 C ATOM 1673 O SER A 106 -17.286 9.563 -11.248 1.00 8.91 O ATOM 1674 CB SER A 106 -14.522 8.449 -11.376 1.00 8.65 C ATOM 1675 OG SER A 106 -13.280 8.055 -10.816 1.00 9.08 O ATOM 1676 OXT SER A 106 -17.695 7.383 -11.471 1.00 8.34 O ATOM 0 H SER A 106 -14.941 6.124 -10.742 1.00 6.66 H new ATOM 0 HA SER A 106 -15.576 8.637 -9.514 1.00 7.67 H new ATOM 0 HB2 SER A 106 -14.662 7.973 -12.346 1.00 8.65 H new ATOM 0 HB3 SER A 106 -14.530 9.526 -11.545 1.00 8.65 H new ATOM 0 HG SER A 106 -12.553 8.305 -11.424 1.00 9.08 H new TER 1682 SER A 106