USER MOD reduce.3.24.130724 H: found=0, std=0, add=1085, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1084 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 16 SER OG : rot -41:sc= 0.0977 USER MOD Set 1.2: A 147 HIS : no HD1:sc= -0.0647 X(o=0.033,f=-0.43) USER MOD Set 2.1: A 137 GLN : amide:sc= 0.0674 K(o=-0.63,f=-2.4) USER MOD Set 2.2: A 140 ASN :FLIP amide:sc= -0.693 F(o=-2.5,f=-0.63) USER MOD Set 3.1: A 49 THR OG1 : rot -140:sc= 0.609 USER MOD Set 3.2: A 52 LYS NZ :NH3+ 150:sc= 0.68 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.138 X(o=-0.14,f=0) USER MOD Single : A 13 LYS NZ :NH3+ -161:sc= -0.024 (180deg=-0.259) USER MOD Single : A 15 THR OG1 : rot -79:sc= 1.09 USER MOD Single : A 17 SER OG : rot -78:sc= 1.28 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -1.09! C(o=-1.1!,f=-5.3!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 79:sc= 0.338 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -155:sc= -0.355 (180deg=-1.33) USER MOD Single : A 42 THR OG1 : rot -66:sc= -0.1! USER MOD Single : A 44 GLN : amide:sc= 0.494 K(o=0.49,f=-0.52) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot -150:sc= 0.112 USER MOD Single : A 62 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0245) USER MOD Single : A 66 THR OG1 : rot 180:sc=-0.00735 USER MOD Single : A 73 THR OG1 : rot 28:sc= 0.13 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= -0.082 USER MOD Single : A 77 HIS : no HD1:sc= -0.197 X(o=-0.2,f=-0.38) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= 0.0915 X(o=0.092,f=-0.05) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 LYS NZ :NH3+ -113:sc= 1.52 (180deg=0.0937) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0.104 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 THR OG1 : rot 155:sc= 1.24 USER MOD Single : A 115 CYS SG : rot -109:sc= 1.09 USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc= 0.196 K(o=0.2,f=-7.8!) USER MOD Single : A 120 TYR OH : rot -166:sc= 0.854 USER MOD Single : A 121 ASN : amide:sc= 1.98 K(o=2,f=-4.7!) USER MOD Single : A 127 ASN : amide:sc= -0.274 K(o=-0.27,f=-4!) USER MOD Single : A 132 THR OG1 : rot -60:sc= -0.517 USER MOD Single : A 134 GLN : amide:sc= 0.471 K(o=0.47,f=-0.49) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 33 N GLU A 4 22.479 5.142 -4.985 1.00 43.23 N ATOM 34 CA GLU A 4 21.028 5.091 -4.849 1.00 10.15 C ATOM 35 C GLU A 4 20.668 4.743 -3.417 1.00 44.32 C ATOM 36 O GLU A 4 21.492 4.213 -2.661 1.00 65.50 O ATOM 37 CB GLU A 4 20.376 4.055 -5.766 1.00 41.31 C ATOM 38 CG GLU A 4 21.020 3.937 -7.133 1.00 65.53 C ATOM 39 CD GLU A 4 21.973 2.740 -7.254 1.00 2.35 C ATOM 40 OE1 GLU A 4 22.490 2.228 -6.229 1.00 64.51 O ATOM 41 OE2 GLU A 4 22.229 2.304 -8.400 1.00 4.33 O ATOM 0 HA GLU A 4 20.654 6.075 -5.132 1.00 10.15 H new ATOM 0 HB2 GLU A 4 20.410 3.082 -5.276 1.00 41.31 H new ATOM 0 HB3 GLU A 4 19.324 4.311 -5.894 1.00 41.31 H new ATOM 0 HG2 GLU A 4 20.239 3.849 -7.888 1.00 65.53 H new ATOM 0 HG3 GLU A 4 21.570 4.853 -7.348 1.00 65.53 H new ATOM 48 N GLU A 5 19.403 4.955 -3.083 1.00 13.01 N ATOM 49 CA GLU A 5 18.805 4.333 -1.920 1.00 22.33 C ATOM 50 C GLU A 5 18.546 2.855 -2.242 1.00 3.42 C ATOM 51 O GLU A 5 18.434 2.464 -3.406 1.00 10.31 O ATOM 52 CB GLU A 5 17.533 5.100 -1.537 1.00 13.24 C ATOM 53 CG GLU A 5 16.951 4.654 -0.191 1.00 13.03 C ATOM 54 CD GLU A 5 17.944 4.783 0.966 1.00 64.13 C ATOM 55 OE1 GLU A 5 18.697 3.814 1.199 1.00 44.10 O ATOM 56 OE2 GLU A 5 17.992 5.852 1.627 1.00 73.52 O ATOM 0 H GLU A 5 18.770 5.559 -3.608 1.00 13.01 H new ATOM 0 HA GLU A 5 19.468 4.371 -1.055 1.00 22.33 H new ATOM 0 HB2 GLU A 5 17.756 6.166 -1.495 1.00 13.24 H new ATOM 0 HB3 GLU A 5 16.783 4.961 -2.316 1.00 13.24 H new ATOM 0 HG2 GLU A 5 16.065 5.250 0.030 1.00 13.03 H new ATOM 0 HG3 GLU A 5 16.626 3.617 -0.269 1.00 13.03 H new ATOM 63 N ASP A 6 18.451 2.019 -1.214 1.00 33.42 N ATOM 64 CA ASP A 6 18.602 0.575 -1.345 1.00 55.40 C ATOM 65 C ASP A 6 17.341 -0.165 -0.901 1.00 41.13 C ATOM 66 O ASP A 6 16.670 0.273 0.032 1.00 64.20 O ATOM 67 CB ASP A 6 19.801 0.173 -0.493 1.00 0.11 C ATOM 68 CG ASP A 6 20.081 -1.313 -0.613 1.00 72.21 C ATOM 69 OD1 ASP A 6 20.306 -1.782 -1.754 1.00 42.34 O ATOM 70 OD2 ASP A 6 20.091 -1.988 0.440 1.00 23.13 O ATOM 0 H ASP A 6 18.266 2.327 -0.259 1.00 33.42 H new ATOM 0 HA ASP A 6 18.760 0.305 -2.389 1.00 55.40 H new ATOM 0 HB2 ASP A 6 20.679 0.738 -0.805 1.00 0.11 H new ATOM 0 HB3 ASP A 6 19.612 0.428 0.550 1.00 0.11 H new ATOM 75 N PHE A 7 17.031 -1.295 -1.543 1.00 71.41 N ATOM 76 CA PHE A 7 15.805 -2.083 -1.361 1.00 14.02 C ATOM 77 C PHE A 7 15.523 -2.449 0.105 1.00 13.15 C ATOM 78 O PHE A 7 14.365 -2.604 0.495 1.00 42.34 O ATOM 79 CB PHE A 7 15.879 -3.377 -2.199 1.00 44.20 C ATOM 80 CG PHE A 7 16.680 -4.490 -1.543 1.00 4.33 C ATOM 81 CD1 PHE A 7 18.079 -4.533 -1.676 1.00 71.44 C ATOM 82 CD2 PHE A 7 16.032 -5.433 -0.719 1.00 12.34 C ATOM 83 CE1 PHE A 7 18.819 -5.509 -0.990 1.00 61.52 C ATOM 84 CE2 PHE A 7 16.773 -6.404 -0.027 1.00 15.41 C ATOM 85 CZ PHE A 7 18.169 -6.439 -0.160 1.00 55.04 C ATOM 0 H PHE A 7 17.656 -1.706 -2.236 1.00 71.41 H new ATOM 0 HA PHE A 7 14.984 -1.449 -1.698 1.00 14.02 H new ATOM 0 HB2 PHE A 7 14.867 -3.734 -2.388 1.00 44.20 H new ATOM 0 HB3 PHE A 7 16.322 -3.146 -3.168 1.00 44.20 H new ATOM 0 HD1 PHE A 7 18.584 -3.815 -2.306 1.00 71.44 H new ATOM 0 HD2 PHE A 7 14.957 -5.408 -0.619 1.00 12.34 H new ATOM 0 HE1 PHE A 7 19.893 -5.546 -1.100 1.00 61.52 H new ATOM 0 HE2 PHE A 7 16.270 -7.121 0.605 1.00 15.41 H new ATOM 0 HZ PHE A 7 18.744 -7.180 0.375 1.00 55.04 H new ATOM 95 N LYS A 8 16.565 -2.619 0.920 1.00 13.23 N ATOM 96 CA LYS A 8 16.455 -2.849 2.353 1.00 44.40 C ATOM 97 C LYS A 8 16.218 -1.504 3.027 1.00 4.24 C ATOM 98 O LYS A 8 15.180 -1.260 3.642 1.00 20.35 O ATOM 99 CB LYS A 8 17.753 -3.539 2.795 1.00 42.01 C ATOM 100 CG LYS A 8 17.916 -3.691 4.312 1.00 24.23 C ATOM 101 CD LYS A 8 19.102 -4.612 4.639 1.00 72.41 C ATOM 102 CE LYS A 8 20.430 -4.047 4.112 1.00 34.44 C ATOM 103 NZ LYS A 8 21.529 -5.023 4.227 1.00 14.43 N ATOM 0 H LYS A 8 17.530 -2.599 0.590 1.00 13.23 H new ATOM 0 HA LYS A 8 15.621 -3.494 2.630 1.00 44.40 H new ATOM 0 HB2 LYS A 8 17.796 -4.528 2.338 1.00 42.01 H new ATOM 0 HB3 LYS A 8 18.599 -2.972 2.408 1.00 42.01 H new ATOM 0 HG2 LYS A 8 18.072 -2.713 4.766 1.00 24.23 H new ATOM 0 HG3 LYS A 8 17.002 -4.100 4.742 1.00 24.23 H new ATOM 0 HD2 LYS A 8 19.169 -4.748 5.718 1.00 72.41 H new ATOM 0 HD3 LYS A 8 18.928 -5.596 4.204 1.00 72.41 H new ATOM 0 HE2 LYS A 8 20.311 -3.756 3.068 1.00 34.44 H new ATOM 0 HE3 LYS A 8 20.686 -3.145 4.668 1.00 34.44 H new ATOM 0 HZ1 LYS A 8 22.407 -4.602 3.861 1.00 14.43 H new ATOM 0 HZ2 LYS A 8 21.660 -5.282 5.226 1.00 14.43 H new ATOM 0 HZ3 LYS A 8 21.297 -5.874 3.676 1.00 14.43 H new ATOM 117 N THR A 9 17.190 -0.612 2.900 1.00 54.11 N ATOM 118 CA THR A 9 17.277 0.610 3.667 1.00 60.12 C ATOM 119 C THR A 9 16.097 1.559 3.422 1.00 54.14 C ATOM 120 O THR A 9 15.609 2.179 4.372 1.00 24.55 O ATOM 121 CB THR A 9 18.644 1.227 3.350 1.00 64.30 C ATOM 122 OG1 THR A 9 19.635 0.244 3.580 1.00 63.50 O ATOM 123 CG2 THR A 9 18.902 2.417 4.261 1.00 24.25 C ATOM 0 H THR A 9 17.959 -0.727 2.240 1.00 54.11 H new ATOM 0 HA THR A 9 17.203 0.401 4.734 1.00 60.12 H new ATOM 0 HB THR A 9 18.667 1.564 2.314 1.00 64.30 H new ATOM 0 HG1 THR A 9 20.519 0.618 3.381 1.00 63.50 H new ATOM 0 HG21 THR A 9 19.875 2.849 4.029 1.00 24.25 H new ATOM 0 HG22 THR A 9 18.126 3.167 4.108 1.00 24.25 H new ATOM 0 HG23 THR A 9 18.890 2.089 5.300 1.00 24.25 H new ATOM 131 N PHE A 10 15.583 1.658 2.189 1.00 35.23 N ATOM 132 CA PHE A 10 14.455 2.535 1.884 1.00 12.32 C ATOM 133 C PHE A 10 13.236 2.073 2.693 1.00 53.02 C ATOM 134 O PHE A 10 12.441 2.895 3.149 1.00 53.11 O ATOM 135 CB PHE A 10 14.145 2.566 0.367 1.00 24.44 C ATOM 136 CG PHE A 10 13.050 1.652 -0.149 1.00 11.35 C ATOM 137 CD1 PHE A 10 13.202 0.259 -0.096 1.00 74.54 C ATOM 138 CD2 PHE A 10 11.872 2.198 -0.693 1.00 11.11 C ATOM 139 CE1 PHE A 10 12.177 -0.583 -0.556 1.00 61.20 C ATOM 140 CE2 PHE A 10 10.878 1.350 -1.207 1.00 31.35 C ATOM 141 CZ PHE A 10 11.016 -0.039 -1.119 1.00 22.22 C ATOM 0 H PHE A 10 15.936 1.137 1.386 1.00 35.23 H new ATOM 0 HA PHE A 10 14.713 3.556 2.166 1.00 12.32 H new ATOM 0 HB2 PHE A 10 13.881 3.589 0.100 1.00 24.44 H new ATOM 0 HB3 PHE A 10 15.063 2.324 -0.168 1.00 24.44 H new ATOM 0 HD1 PHE A 10 14.111 -0.168 0.300 1.00 74.54 H new ATOM 0 HD2 PHE A 10 11.733 3.269 -0.715 1.00 11.11 H new ATOM 0 HE1 PHE A 10 12.284 -1.655 -0.475 1.00 61.20 H new ATOM 0 HE2 PHE A 10 10.001 1.773 -1.674 1.00 31.35 H new ATOM 0 HZ PHE A 10 10.233 -0.687 -1.483 1.00 22.22 H new ATOM 151 N LEU A 11 13.115 0.758 2.899 1.00 72.30 N ATOM 152 CA LEU A 11 11.960 0.105 3.475 1.00 0.15 C ATOM 153 C LEU A 11 11.946 0.298 4.984 1.00 72.24 C ATOM 154 O LEU A 11 10.903 0.647 5.529 1.00 61.31 O ATOM 155 CB LEU A 11 11.991 -1.387 3.115 1.00 13.23 C ATOM 156 CG LEU A 11 10.592 -2.015 3.176 1.00 42.24 C ATOM 157 CD1 LEU A 11 9.765 -1.632 1.936 1.00 3.32 C ATOM 158 CD2 LEU A 11 10.738 -3.532 3.253 1.00 12.35 C ATOM 0 H LEU A 11 13.856 0.101 2.655 1.00 72.30 H new ATOM 0 HA LEU A 11 11.050 0.548 3.071 1.00 0.15 H new ATOM 0 HB2 LEU A 11 12.402 -1.511 2.113 1.00 13.23 H new ATOM 0 HB3 LEU A 11 12.656 -1.913 3.800 1.00 13.23 H new ATOM 0 HG LEU A 11 10.071 -1.642 4.058 1.00 42.24 H new ATOM 0 HD11 LEU A 11 8.778 -2.089 2.002 1.00 3.32 H new ATOM 0 HD12 LEU A 11 9.661 -0.548 1.889 1.00 3.32 H new ATOM 0 HD13 LEU A 11 10.270 -1.988 1.038 1.00 3.32 H new ATOM 0 HD21 LEU A 11 9.750 -3.991 3.297 1.00 12.35 H new ATOM 0 HD22 LEU A 11 11.266 -3.892 2.370 1.00 12.35 H new ATOM 0 HD23 LEU A 11 11.302 -3.798 4.147 1.00 12.35 H new ATOM 170 N GLN A 12 13.097 0.160 5.651 1.00 20.11 N ATOM 171 CA GLN A 12 13.219 0.467 7.077 1.00 34.54 C ATOM 172 C GLN A 12 12.780 1.908 7.352 1.00 11.41 C ATOM 173 O GLN A 12 12.119 2.193 8.351 1.00 42.22 O ATOM 174 CB GLN A 12 14.664 0.276 7.566 1.00 60.43 C ATOM 175 CG GLN A 12 15.193 -1.157 7.387 1.00 35.42 C ATOM 176 CD GLN A 12 16.428 -1.462 8.241 1.00 44.01 C ATOM 177 OE1 GLN A 12 16.624 -2.601 8.668 1.00 35.34 O ATOM 178 NE2 GLN A 12 17.288 -0.494 8.526 1.00 54.24 N ATOM 0 H GLN A 12 13.963 -0.165 5.220 1.00 20.11 H new ATOM 0 HA GLN A 12 12.572 -0.223 7.618 1.00 34.54 H new ATOM 0 HB2 GLN A 12 15.315 0.964 7.026 1.00 60.43 H new ATOM 0 HB3 GLN A 12 14.720 0.545 8.621 1.00 60.43 H new ATOM 0 HG2 GLN A 12 14.402 -1.863 7.641 1.00 35.42 H new ATOM 0 HG3 GLN A 12 15.438 -1.317 6.337 1.00 35.42 H new ATOM 0 HE21 GLN A 12 17.128 0.450 8.174 1.00 54.24 H new ATOM 0 HE22 GLN A 12 18.109 -0.693 9.097 1.00 54.24 H new ATOM 187 N LYS A 13 13.153 2.842 6.473 1.00 44.21 N ATOM 188 CA LYS A 13 12.755 4.239 6.594 1.00 0.03 C ATOM 189 C LYS A 13 11.251 4.384 6.370 1.00 73.12 C ATOM 190 O LYS A 13 10.576 5.013 7.180 1.00 1.13 O ATOM 191 CB LYS A 13 13.596 5.096 5.641 1.00 75.43 C ATOM 192 CG LYS A 13 15.066 5.093 6.091 1.00 15.23 C ATOM 193 CD LYS A 13 15.962 5.869 5.119 1.00 24.42 C ATOM 194 CE LYS A 13 17.297 6.239 5.782 1.00 64.44 C ATOM 195 NZ LYS A 13 17.121 7.279 6.819 1.00 2.04 N ATOM 0 H LYS A 13 13.738 2.647 5.661 1.00 44.21 H new ATOM 0 HA LYS A 13 12.948 4.600 7.604 1.00 0.03 H new ATOM 0 HB2 LYS A 13 13.517 4.709 4.625 1.00 75.43 H new ATOM 0 HB3 LYS A 13 13.214 6.117 5.624 1.00 75.43 H new ATOM 0 HG2 LYS A 13 15.142 5.533 7.085 1.00 15.23 H new ATOM 0 HG3 LYS A 13 15.420 4.065 6.169 1.00 15.23 H new ATOM 0 HD2 LYS A 13 16.148 5.267 4.229 1.00 24.42 H new ATOM 0 HD3 LYS A 13 15.451 6.774 4.791 1.00 24.42 H new ATOM 0 HE2 LYS A 13 17.740 5.350 6.230 1.00 64.44 H new ATOM 0 HE3 LYS A 13 17.994 6.595 5.023 1.00 64.44 H new ATOM 0 HZ1 LYS A 13 18.036 7.732 7.015 1.00 2.04 H new ATOM 0 HZ2 LYS A 13 16.446 7.995 6.482 1.00 2.04 H new ATOM 0 HZ3 LYS A 13 16.757 6.843 7.690 1.00 2.04 H new ATOM 209 N PHE A 14 10.727 3.777 5.304 1.00 61.31 N ATOM 210 CA PHE A 14 9.310 3.778 4.951 1.00 61.50 C ATOM 211 C PHE A 14 8.440 3.284 6.119 1.00 55.00 C ATOM 212 O PHE A 14 7.508 3.981 6.520 1.00 61.23 O ATOM 213 CB PHE A 14 9.137 2.958 3.660 1.00 35.25 C ATOM 214 CG PHE A 14 7.840 3.136 2.896 1.00 15.34 C ATOM 215 CD1 PHE A 14 7.615 4.294 2.127 1.00 42.31 C ATOM 216 CD2 PHE A 14 6.898 2.094 2.865 1.00 42.01 C ATOM 217 CE1 PHE A 14 6.458 4.397 1.331 1.00 71.20 C ATOM 218 CE2 PHE A 14 5.736 2.203 2.082 1.00 41.11 C ATOM 219 CZ PHE A 14 5.518 3.353 1.309 1.00 73.20 C ATOM 0 H PHE A 14 11.299 3.254 4.641 1.00 61.31 H new ATOM 0 HA PHE A 14 8.963 4.793 4.758 1.00 61.50 H new ATOM 0 HB2 PHE A 14 9.961 3.205 2.990 1.00 35.25 H new ATOM 0 HB3 PHE A 14 9.238 1.903 3.914 1.00 35.25 H new ATOM 0 HD1 PHE A 14 8.330 5.103 2.148 1.00 42.31 H new ATOM 0 HD2 PHE A 14 7.068 1.201 3.448 1.00 42.01 H new ATOM 0 HE1 PHE A 14 6.292 5.282 0.735 1.00 71.20 H new ATOM 0 HE2 PHE A 14 5.012 1.402 2.075 1.00 41.11 H new ATOM 0 HZ PHE A 14 4.631 3.436 0.699 1.00 73.20 H new ATOM 229 N THR A 15 8.769 2.121 6.681 1.00 21.13 N ATOM 230 CA THR A 15 7.964 1.399 7.667 1.00 43.40 C ATOM 231 C THR A 15 8.081 1.969 9.092 1.00 71.10 C ATOM 232 O THR A 15 7.357 1.517 9.977 1.00 12.01 O ATOM 233 CB THR A 15 8.313 -0.105 7.602 1.00 75.41 C ATOM 234 OG1 THR A 15 9.700 -0.313 7.775 1.00 14.41 O ATOM 235 CG2 THR A 15 7.951 -0.761 6.268 1.00 44.13 C ATOM 0 H THR A 15 9.637 1.637 6.453 1.00 21.13 H new ATOM 0 HA THR A 15 6.914 1.534 7.408 1.00 43.40 H new ATOM 0 HB THR A 15 7.726 -0.555 8.403 1.00 75.41 H new ATOM 0 HG1 THR A 15 10.167 -0.118 6.936 1.00 14.41 H new ATOM 0 HG21 THR A 15 8.224 -1.816 6.295 1.00 44.13 H new ATOM 0 HG22 THR A 15 6.879 -0.668 6.096 1.00 44.13 H new ATOM 0 HG23 THR A 15 8.492 -0.267 5.461 1.00 44.13 H new ATOM 243 N SER A 16 8.934 2.971 9.335 1.00 13.15 N ATOM 244 CA SER A 16 9.158 3.545 10.662 1.00 24.53 C ATOM 245 C SER A 16 9.081 5.078 10.640 1.00 4.42 C ATOM 246 O SER A 16 9.427 5.728 11.628 1.00 63.21 O ATOM 247 CB SER A 16 10.482 2.987 11.209 1.00 72.24 C ATOM 248 OG SER A 16 10.662 3.199 12.598 1.00 20.23 O ATOM 0 H SER A 16 9.494 3.410 8.604 1.00 13.15 H new ATOM 0 HA SER A 16 8.362 3.251 11.346 1.00 24.53 H new ATOM 0 HB2 SER A 16 10.526 1.917 11.006 1.00 72.24 H new ATOM 0 HB3 SER A 16 11.310 3.448 10.670 1.00 72.24 H new ATOM 0 HG SER A 16 10.354 4.099 12.834 1.00 20.23 H new ATOM 254 N SER A 17 8.628 5.681 9.536 1.00 0.01 N ATOM 255 CA SER A 17 8.360 7.107 9.454 1.00 52.03 C ATOM 256 C SER A 17 7.159 7.341 8.539 1.00 52.14 C ATOM 257 O SER A 17 7.299 7.325 7.314 1.00 60.41 O ATOM 258 CB SER A 17 9.606 7.856 8.954 1.00 61.11 C ATOM 259 OG SER A 17 10.579 8.018 9.969 1.00 32.51 O ATOM 0 H SER A 17 8.437 5.180 8.668 1.00 0.01 H new ATOM 0 HA SER A 17 8.122 7.496 10.444 1.00 52.03 H new ATOM 0 HB2 SER A 17 10.044 7.311 8.118 1.00 61.11 H new ATOM 0 HB3 SER A 17 9.311 8.835 8.577 1.00 61.11 H new ATOM 0 HG SER A 17 10.310 8.747 10.566 1.00 32.51 H new ATOM 265 N ALA A 18 5.985 7.582 9.127 1.00 51.44 N ATOM 266 CA ALA A 18 4.762 7.969 8.434 1.00 51.43 C ATOM 267 C ALA A 18 5.002 9.177 7.528 1.00 42.21 C ATOM 268 O ALA A 18 4.481 9.231 6.411 1.00 72.50 O ATOM 269 CB ALA A 18 3.680 8.304 9.455 1.00 44.22 C ATOM 0 H ALA A 18 5.859 7.509 10.137 1.00 51.44 H new ATOM 0 HA ALA A 18 4.440 7.133 7.813 1.00 51.43 H new ATOM 0 HB1 ALA A 18 2.766 8.593 8.935 1.00 44.22 H new ATOM 0 HB2 ALA A 18 3.483 7.430 10.076 1.00 44.22 H new ATOM 0 HB3 ALA A 18 4.016 9.128 10.084 1.00 44.22 H new ATOM 275 N SER A 19 5.795 10.151 7.986 1.00 73.24 N ATOM 276 CA SER A 19 6.090 11.319 7.177 1.00 14.45 C ATOM 277 C SER A 19 6.896 10.908 5.951 1.00 44.44 C ATOM 278 O SER A 19 6.502 11.248 4.834 1.00 61.43 O ATOM 279 CB SER A 19 6.811 12.366 8.022 1.00 64.43 C ATOM 280 OG SER A 19 6.950 13.584 7.318 1.00 72.14 O ATOM 0 H SER A 19 6.237 10.147 8.905 1.00 73.24 H new ATOM 0 HA SER A 19 5.164 11.770 6.821 1.00 14.45 H new ATOM 0 HB2 SER A 19 6.256 12.537 8.944 1.00 64.43 H new ATOM 0 HB3 SER A 19 7.795 11.993 8.306 1.00 64.43 H new ATOM 0 HG SER A 19 7.413 14.237 7.883 1.00 72.14 H new ATOM 286 N PHE A 20 7.988 10.157 6.144 1.00 41.43 N ATOM 287 CA PHE A 20 8.838 9.678 5.059 1.00 63.10 C ATOM 288 C PHE A 20 8.008 8.886 4.054 1.00 20.41 C ATOM 289 O PHE A 20 8.200 9.059 2.854 1.00 64.43 O ATOM 290 CB PHE A 20 9.980 8.814 5.616 1.00 51.22 C ATOM 291 CG PHE A 20 10.905 8.189 4.583 1.00 13.33 C ATOM 292 CD1 PHE A 20 10.491 7.037 3.893 1.00 71.13 C ATOM 293 CD2 PHE A 20 12.197 8.697 4.362 1.00 44.11 C ATOM 294 CE1 PHE A 20 11.355 6.376 3.008 1.00 31.43 C ATOM 295 CE2 PHE A 20 13.064 8.056 3.456 1.00 60.51 C ATOM 296 CZ PHE A 20 12.645 6.890 2.787 1.00 35.52 C ATOM 0 H PHE A 20 8.305 9.865 7.069 1.00 41.43 H new ATOM 0 HA PHE A 20 9.275 10.537 4.549 1.00 63.10 H new ATOM 0 HB2 PHE A 20 10.580 9.428 6.288 1.00 51.22 H new ATOM 0 HB3 PHE A 20 9.545 8.015 6.217 1.00 51.22 H new ATOM 0 HD1 PHE A 20 9.493 6.655 4.047 1.00 71.13 H new ATOM 0 HD2 PHE A 20 12.526 9.581 4.888 1.00 44.11 H new ATOM 0 HE1 PHE A 20 11.032 5.479 2.500 1.00 31.43 H new ATOM 0 HE2 PHE A 20 14.050 8.459 3.274 1.00 60.51 H new ATOM 0 HZ PHE A 20 13.315 6.390 2.103 1.00 35.52 H new ATOM 306 N GLN A 21 7.112 8.016 4.535 1.00 71.21 N ATOM 307 CA GLN A 21 6.218 7.204 3.735 1.00 64.31 C ATOM 308 C GLN A 21 5.450 8.103 2.762 1.00 43.20 C ATOM 309 O GLN A 21 5.560 7.924 1.548 1.00 52.30 O ATOM 310 CB GLN A 21 5.383 6.344 4.684 1.00 32.22 C ATOM 311 CG GLN A 21 4.367 5.444 3.957 1.00 32.23 C ATOM 312 CD GLN A 21 4.015 4.145 4.669 1.00 1.01 C ATOM 313 OE1 GLN A 21 3.053 3.482 4.288 1.00 13.03 O ATOM 314 NE2 GLN A 21 4.769 3.727 5.664 1.00 55.30 N ATOM 0 H GLN A 21 6.994 7.860 5.536 1.00 71.21 H new ATOM 0 HA GLN A 21 6.737 6.498 3.087 1.00 64.31 H new ATOM 0 HB2 GLN A 21 6.050 5.720 5.279 1.00 32.22 H new ATOM 0 HB3 GLN A 21 4.850 6.994 5.378 1.00 32.22 H new ATOM 0 HG2 GLN A 21 3.450 6.013 3.801 1.00 32.23 H new ATOM 0 HG3 GLN A 21 4.763 5.202 2.971 1.00 32.23 H new ATOM 0 HE21 GLN A 21 5.565 4.287 5.971 1.00 55.30 H new ATOM 0 HE22 GLN A 21 4.557 2.844 6.128 1.00 55.30 H new ATOM 323 N TYR A 22 4.763 9.132 3.267 1.00 3.04 N ATOM 324 CA TYR A 22 4.055 10.114 2.447 1.00 33.54 C ATOM 325 C TYR A 22 4.996 10.811 1.458 1.00 13.05 C ATOM 326 O TYR A 22 4.689 10.906 0.264 1.00 1.23 O ATOM 327 CB TYR A 22 3.345 11.133 3.351 1.00 54.01 C ATOM 328 CG TYR A 22 1.998 10.682 3.874 1.00 23.45 C ATOM 329 CD1 TYR A 22 1.008 10.294 2.962 1.00 61.24 C ATOM 330 CD2 TYR A 22 1.742 10.588 5.257 1.00 72.53 C ATOM 331 CE1 TYR A 22 -0.212 9.784 3.415 1.00 15.21 C ATOM 332 CE2 TYR A 22 0.535 10.024 5.718 1.00 43.20 C ATOM 333 CZ TYR A 22 -0.452 9.619 4.794 1.00 4.41 C ATOM 334 OH TYR A 22 -1.606 9.038 5.203 1.00 61.42 O ATOM 0 H TYR A 22 4.683 9.307 4.269 1.00 3.04 H new ATOM 0 HA TYR A 22 3.307 9.589 1.854 1.00 33.54 H new ATOM 0 HB2 TYR A 22 3.992 11.359 4.199 1.00 54.01 H new ATOM 0 HB3 TYR A 22 3.212 12.061 2.795 1.00 54.01 H new ATOM 0 HD1 TYR A 22 1.189 10.390 1.902 1.00 61.24 H new ATOM 0 HD2 TYR A 22 2.473 10.949 5.966 1.00 72.53 H new ATOM 0 HE1 TYR A 22 -0.977 9.514 2.702 1.00 15.21 H new ATOM 0 HE2 TYR A 22 0.366 9.902 6.778 1.00 43.20 H new ATOM 0 HH TYR A 22 -1.622 8.995 6.182 1.00 61.42 H new ATOM 344 N SER A 23 6.167 11.243 1.923 1.00 62.40 N ATOM 345 CA SER A 23 7.227 11.845 1.120 1.00 64.11 C ATOM 346 C SER A 23 7.856 10.875 0.097 1.00 11.25 C ATOM 347 O SER A 23 8.814 11.246 -0.586 1.00 62.24 O ATOM 348 CB SER A 23 8.280 12.422 2.076 1.00 24.54 C ATOM 349 OG SER A 23 7.680 13.332 2.985 1.00 41.30 O ATOM 0 H SER A 23 6.412 11.180 2.911 1.00 62.40 H new ATOM 0 HA SER A 23 6.789 12.637 0.512 1.00 64.11 H new ATOM 0 HB2 SER A 23 8.762 11.614 2.626 1.00 24.54 H new ATOM 0 HB3 SER A 23 9.059 12.928 1.506 1.00 24.54 H new ATOM 0 HG SER A 23 7.223 12.833 3.694 1.00 41.30 H new ATOM 355 N ARG A 24 7.352 9.642 -0.042 1.00 63.33 N ATOM 356 CA ARG A 24 7.846 8.636 -0.971 1.00 4.14 C ATOM 357 C ARG A 24 6.755 8.199 -1.944 1.00 24.23 C ATOM 358 O ARG A 24 6.979 7.225 -2.657 1.00 70.12 O ATOM 359 CB ARG A 24 8.390 7.432 -0.175 1.00 2.13 C ATOM 360 CG ARG A 24 9.643 6.774 -0.760 1.00 42.44 C ATOM 361 CD ARG A 24 10.847 7.709 -0.879 1.00 72.24 C ATOM 362 NE ARG A 24 11.108 8.488 0.337 1.00 70.23 N ATOM 363 CZ ARG A 24 11.566 9.741 0.377 1.00 30.14 C ATOM 364 NH1 ARG A 24 11.758 10.437 -0.741 1.00 14.13 N ATOM 365 NH2 ARG A 24 11.826 10.293 1.554 1.00 21.13 N ATOM 0 H ARG A 24 6.561 9.313 0.512 1.00 63.33 H new ATOM 0 HA ARG A 24 8.652 9.068 -1.564 1.00 4.14 H new ATOM 0 HB2 ARG A 24 8.612 7.759 0.841 1.00 2.13 H new ATOM 0 HB3 ARG A 24 7.604 6.680 -0.103 1.00 2.13 H new ATOM 0 HG2 ARG A 24 9.918 5.924 -0.136 1.00 42.44 H new ATOM 0 HG3 ARG A 24 9.405 6.380 -1.748 1.00 42.44 H new ATOM 0 HD2 ARG A 24 11.732 7.120 -1.120 1.00 72.24 H new ATOM 0 HD3 ARG A 24 10.684 8.394 -1.711 1.00 72.24 H new ATOM 0 HE ARG A 24 10.923 8.032 1.230 1.00 70.23 H new ATOM 0 HH11 ARG A 24 11.554 10.014 -1.646 1.00 14.13 H new ATOM 0 HH12 ARG A 24 12.109 11.394 -0.692 1.00 14.13 H new ATOM 0 HH21 ARG A 24 11.675 9.761 2.411 1.00 21.13 H new ATOM 0 HH22 ARG A 24 12.177 11.250 1.602 1.00 21.13 H new ATOM 379 N ILE A 25 5.578 8.830 -1.995 1.00 12.12 N ATOM 380 CA ILE A 25 4.441 8.345 -2.788 1.00 51.41 C ATOM 381 C ILE A 25 3.968 9.452 -3.735 1.00 72.11 C ATOM 382 O ILE A 25 3.794 10.596 -3.308 1.00 74.13 O ATOM 383 CB ILE A 25 3.325 7.817 -1.862 1.00 14.04 C ATOM 384 CG1 ILE A 25 3.827 6.675 -0.951 1.00 24.44 C ATOM 385 CG2 ILE A 25 2.148 7.276 -2.694 1.00 71.30 C ATOM 386 CD1 ILE A 25 3.030 6.583 0.336 1.00 50.24 C ATOM 0 H ILE A 25 5.385 9.693 -1.487 1.00 12.12 H new ATOM 0 HA ILE A 25 4.747 7.502 -3.407 1.00 51.41 H new ATOM 0 HB ILE A 25 3.007 8.657 -1.244 1.00 14.04 H new ATOM 0 HG12 ILE A 25 3.761 5.728 -1.487 1.00 24.44 H new ATOM 0 HG13 ILE A 25 4.879 6.835 -0.715 1.00 24.44 H new ATOM 0 HG21 ILE A 25 1.369 6.907 -2.026 1.00 71.30 H new ATOM 0 HG22 ILE A 25 1.744 8.075 -3.316 1.00 71.30 H new ATOM 0 HG23 ILE A 25 2.496 6.462 -3.330 1.00 71.30 H new ATOM 0 HD11 ILE A 25 3.417 5.767 0.946 1.00 50.24 H new ATOM 0 HD12 ILE A 25 3.117 7.520 0.886 1.00 50.24 H new ATOM 0 HD13 ILE A 25 1.982 6.396 0.102 1.00 50.24 H new ATOM 398 N LYS A 26 3.772 9.110 -5.015 1.00 23.34 N ATOM 399 CA LYS A 26 3.187 9.987 -6.019 1.00 2.21 C ATOM 400 C LYS A 26 1.686 10.018 -5.782 1.00 11.13 C ATOM 401 O LYS A 26 1.067 8.998 -5.457 1.00 45.22 O ATOM 402 CB LYS A 26 3.487 9.494 -7.454 1.00 41.24 C ATOM 403 CG LYS A 26 4.557 10.331 -8.174 1.00 12.02 C ATOM 404 CD LYS A 26 5.981 9.960 -7.753 1.00 45.42 C ATOM 405 CE LYS A 26 7.026 11.025 -8.111 1.00 5.13 C ATOM 406 NZ LYS A 26 7.048 11.401 -9.541 1.00 1.04 N ATOM 0 H LYS A 26 4.024 8.193 -5.383 1.00 23.34 H new ATOM 0 HA LYS A 26 3.620 10.983 -5.928 1.00 2.21 H new ATOM 0 HB2 LYS A 26 3.815 8.455 -7.413 1.00 41.24 H new ATOM 0 HB3 LYS A 26 2.567 9.514 -8.037 1.00 41.24 H new ATOM 0 HG2 LYS A 26 4.454 10.196 -9.251 1.00 12.02 H new ATOM 0 HG3 LYS A 26 4.385 11.387 -7.968 1.00 12.02 H new ATOM 0 HD2 LYS A 26 6.000 9.792 -6.676 1.00 45.42 H new ATOM 0 HD3 LYS A 26 6.257 9.018 -8.227 1.00 45.42 H new ATOM 0 HE2 LYS A 26 6.836 11.918 -7.516 1.00 5.13 H new ATOM 0 HE3 LYS A 26 8.013 10.658 -7.829 1.00 5.13 H new ATOM 0 HZ1 LYS A 26 7.779 12.123 -9.699 1.00 1.04 H new ATOM 0 HZ2 LYS A 26 7.260 10.562 -10.117 1.00 1.04 H new ATOM 0 HZ3 LYS A 26 6.120 11.783 -9.814 1.00 1.04 H new ATOM 420 N PHE A 27 1.089 11.183 -5.989 1.00 54.10 N ATOM 421 CA PHE A 27 -0.346 11.384 -5.911 1.00 51.44 C ATOM 422 C PHE A 27 -0.814 12.140 -7.165 1.00 10.55 C ATOM 423 O PHE A 27 -0.215 13.170 -7.505 1.00 32.03 O ATOM 424 CB PHE A 27 -0.727 12.096 -4.606 1.00 44.33 C ATOM 425 CG PHE A 27 0.204 13.205 -4.152 1.00 73.42 C ATOM 426 CD1 PHE A 27 0.087 14.500 -4.687 1.00 22.41 C ATOM 427 CD2 PHE A 27 1.205 12.931 -3.200 1.00 3.21 C ATOM 428 CE1 PHE A 27 0.977 15.507 -4.286 1.00 43.51 C ATOM 429 CE2 PHE A 27 2.083 13.948 -2.788 1.00 62.24 C ATOM 430 CZ PHE A 27 1.975 15.235 -3.336 1.00 52.24 C ATOM 0 H PHE A 27 1.603 12.033 -6.221 1.00 54.10 H new ATOM 0 HA PHE A 27 -0.859 10.423 -5.888 1.00 51.44 H new ATOM 0 HB2 PHE A 27 -1.727 12.514 -4.723 1.00 44.33 H new ATOM 0 HB3 PHE A 27 -0.784 11.350 -3.813 1.00 44.33 H new ATOM 0 HD1 PHE A 27 -0.688 14.719 -5.407 1.00 22.41 H new ATOM 0 HD2 PHE A 27 1.298 11.938 -2.786 1.00 3.21 H new ATOM 0 HE1 PHE A 27 0.894 16.497 -4.710 1.00 43.51 H new ATOM 0 HE2 PHE A 27 2.842 13.739 -2.049 1.00 62.24 H new ATOM 0 HZ PHE A 27 2.657 16.014 -3.028 1.00 52.24 H new ATOM 440 N PRO A 28 -1.861 11.663 -7.861 1.00 31.04 N ATOM 441 CA PRO A 28 -2.585 10.423 -7.594 1.00 5.43 C ATOM 442 C PRO A 28 -1.744 9.197 -7.999 1.00 33.42 C ATOM 443 O PRO A 28 -0.647 9.321 -8.556 1.00 11.13 O ATOM 444 CB PRO A 28 -3.872 10.553 -8.406 1.00 73.42 C ATOM 445 CG PRO A 28 -3.401 11.312 -9.644 1.00 13.12 C ATOM 446 CD PRO A 28 -2.375 12.285 -9.068 1.00 64.45 C ATOM 0 HA PRO A 28 -2.800 10.273 -6.536 1.00 5.43 H new ATOM 0 HB2 PRO A 28 -4.292 9.580 -8.661 1.00 73.42 H new ATOM 0 HB3 PRO A 28 -4.642 11.100 -7.862 1.00 73.42 H new ATOM 0 HG2 PRO A 28 -2.957 10.646 -10.383 1.00 13.12 H new ATOM 0 HG3 PRO A 28 -4.222 11.833 -10.137 1.00 13.12 H new ATOM 0 HD2 PRO A 28 -1.573 12.472 -9.782 1.00 64.45 H new ATOM 0 HD3 PRO A 28 -2.834 13.248 -8.845 1.00 64.45 H new ATOM 454 N LEU A 29 -2.234 8.003 -7.673 1.00 2.10 N ATOM 455 CA LEU A 29 -1.641 6.738 -8.107 1.00 5.21 C ATOM 456 C LEU A 29 -2.235 6.364 -9.463 1.00 24.11 C ATOM 457 O LEU A 29 -3.283 6.890 -9.841 1.00 71.21 O ATOM 458 CB LEU A 29 -1.911 5.642 -7.069 1.00 62.32 C ATOM 459 CG LEU A 29 -1.270 5.962 -5.705 1.00 3.34 C ATOM 460 CD1 LEU A 29 -2.139 5.437 -4.568 1.00 10.20 C ATOM 461 CD2 LEU A 29 0.166 5.455 -5.597 1.00 70.14 C ATOM 0 H LEU A 29 -3.064 7.884 -7.093 1.00 2.10 H new ATOM 0 HA LEU A 29 -0.560 6.844 -8.202 1.00 5.21 H new ATOM 0 HB2 LEU A 29 -2.987 5.520 -6.943 1.00 62.32 H new ATOM 0 HB3 LEU A 29 -1.523 4.692 -7.437 1.00 62.32 H new ATOM 0 HG LEU A 29 -1.214 7.047 -5.621 1.00 3.34 H new ATOM 0 HD11 LEU A 29 -1.670 5.673 -3.613 1.00 10.20 H new ATOM 0 HD12 LEU A 29 -3.122 5.906 -4.615 1.00 10.20 H new ATOM 0 HD13 LEU A 29 -2.248 4.357 -4.662 1.00 10.20 H new ATOM 0 HD21 LEU A 29 0.568 5.708 -4.616 1.00 70.14 H new ATOM 0 HD22 LEU A 29 0.181 4.373 -5.727 1.00 70.14 H new ATOM 0 HD23 LEU A 29 0.776 5.922 -6.370 1.00 70.14 H new ATOM 473 N LYS A 30 -1.587 5.441 -10.180 1.00 12.24 N ATOM 474 CA LYS A 30 -2.057 5.001 -11.495 1.00 4.21 C ATOM 475 C LYS A 30 -3.404 4.277 -11.378 1.00 45.12 C ATOM 476 O LYS A 30 -4.401 4.813 -11.861 1.00 23.02 O ATOM 477 CB LYS A 30 -1.017 4.141 -12.207 1.00 71.11 C ATOM 478 CG LYS A 30 0.156 4.898 -12.840 1.00 53.43 C ATOM 479 CD LYS A 30 1.069 3.843 -13.474 1.00 52.54 C ATOM 480 CE LYS A 30 2.357 4.425 -14.051 1.00 41.31 C ATOM 481 NZ LYS A 30 3.286 3.346 -14.442 1.00 50.53 N ATOM 0 H LYS A 30 -0.731 4.982 -9.869 1.00 12.24 H new ATOM 0 HA LYS A 30 -2.207 5.889 -12.109 1.00 4.21 H new ATOM 0 HB2 LYS A 30 -0.617 3.422 -11.492 1.00 71.11 H new ATOM 0 HB3 LYS A 30 -1.519 3.569 -12.987 1.00 71.11 H new ATOM 0 HG2 LYS A 30 -0.199 5.604 -13.591 1.00 53.43 H new ATOM 0 HG3 LYS A 30 0.695 5.475 -12.089 1.00 53.43 H new ATOM 0 HD2 LYS A 30 1.322 3.094 -12.724 1.00 52.54 H new ATOM 0 HD3 LYS A 30 0.524 3.330 -14.266 1.00 52.54 H new ATOM 0 HE2 LYS A 30 2.126 5.045 -14.917 1.00 41.31 H new ATOM 0 HE3 LYS A 30 2.832 5.072 -13.314 1.00 41.31 H new ATOM 0 HZ1 LYS A 30 4.156 3.761 -14.832 1.00 50.53 H new ATOM 0 HZ2 LYS A 30 3.521 2.771 -13.608 1.00 50.53 H new ATOM 0 HZ3 LYS A 30 2.837 2.745 -15.162 1.00 50.53 H new ATOM 495 N SER A 31 -3.424 3.106 -10.741 1.00 10.12 N ATOM 496 CA SER A 31 -4.560 2.338 -10.234 1.00 74.44 C ATOM 497 C SER A 31 -5.578 3.221 -9.487 1.00 42.33 C ATOM 498 O SER A 31 -5.300 3.575 -8.338 1.00 24.03 O ATOM 499 CB SER A 31 -4.087 1.113 -9.431 1.00 44.51 C ATOM 500 OG SER A 31 -5.141 0.193 -9.235 1.00 43.12 O ATOM 0 H SER A 31 -2.548 2.620 -10.547 1.00 10.12 H new ATOM 0 HA SER A 31 -5.109 1.946 -11.090 1.00 74.44 H new ATOM 0 HB2 SER A 31 -3.267 0.624 -9.957 1.00 44.51 H new ATOM 0 HB3 SER A 31 -3.698 1.436 -8.465 1.00 44.51 H new ATOM 0 HG SER A 31 -4.813 -0.576 -8.724 1.00 43.12 H new ATOM 506 N PRO A 32 -6.608 3.809 -10.135 1.00 72.31 N ATOM 507 CA PRO A 32 -7.633 4.532 -9.388 1.00 14.31 C ATOM 508 C PRO A 32 -8.325 3.586 -8.398 1.00 45.22 C ATOM 509 O PRO A 32 -8.262 2.361 -8.529 1.00 11.41 O ATOM 510 CB PRO A 32 -8.633 5.023 -10.436 1.00 43.31 C ATOM 511 CG PRO A 32 -8.624 3.874 -11.434 1.00 13.43 C ATOM 512 CD PRO A 32 -7.161 3.418 -11.431 1.00 74.42 C ATOM 0 HA PRO A 32 -7.213 5.357 -8.813 1.00 14.31 H new ATOM 0 HB2 PRO A 32 -9.623 5.188 -10.011 1.00 43.31 H new ATOM 0 HB3 PRO A 32 -8.321 5.963 -10.891 1.00 43.31 H new ATOM 0 HG2 PRO A 32 -9.296 3.072 -11.130 1.00 13.43 H new ATOM 0 HG3 PRO A 32 -8.942 4.199 -12.425 1.00 13.43 H new ATOM 0 HD2 PRO A 32 -7.090 2.340 -11.574 1.00 74.42 H new ATOM 0 HD3 PRO A 32 -6.607 3.884 -12.246 1.00 74.42 H new ATOM 520 N ILE A 33 -9.065 4.145 -7.448 1.00 21.11 N ATOM 521 CA ILE A 33 -10.057 3.360 -6.720 1.00 50.45 C ATOM 522 C ILE A 33 -11.213 3.180 -7.703 1.00 32.20 C ATOM 523 O ILE A 33 -11.595 4.142 -8.371 1.00 62.01 O ATOM 524 CB ILE A 33 -10.436 4.103 -5.425 1.00 54.13 C ATOM 525 CG1 ILE A 33 -9.227 4.044 -4.464 1.00 63.34 C ATOM 526 CG2 ILE A 33 -11.688 3.525 -4.743 1.00 2.12 C ATOM 527 CD1 ILE A 33 -9.270 5.095 -3.360 1.00 43.54 C ATOM 0 H ILE A 33 -9.000 5.123 -7.166 1.00 21.11 H new ATOM 0 HA ILE A 33 -9.707 2.381 -6.393 1.00 50.45 H new ATOM 0 HB ILE A 33 -10.682 5.133 -5.683 1.00 54.13 H new ATOM 0 HG12 ILE A 33 -9.183 3.054 -4.010 1.00 63.34 H new ATOM 0 HG13 ILE A 33 -8.310 4.172 -5.039 1.00 63.34 H new ATOM 0 HG21 ILE A 33 -11.903 4.091 -3.837 1.00 2.12 H new ATOM 0 HG22 ILE A 33 -12.537 3.593 -5.423 1.00 2.12 H new ATOM 0 HG23 ILE A 33 -11.512 2.481 -4.485 1.00 2.12 H new ATOM 0 HD11 ILE A 33 -8.390 4.992 -2.725 1.00 43.54 H new ATOM 0 HD12 ILE A 33 -9.282 6.090 -3.805 1.00 43.54 H new ATOM 0 HD13 ILE A 33 -10.169 4.955 -2.759 1.00 43.54 H new ATOM 539 N ALA A 34 -11.772 1.977 -7.807 1.00 4.44 N ATOM 540 CA ALA A 34 -12.910 1.670 -8.659 1.00 12.13 C ATOM 541 C ALA A 34 -13.912 0.936 -7.782 1.00 4.32 C ATOM 542 O ALA A 34 -13.518 -0.019 -7.118 1.00 11.21 O ATOM 543 CB ALA A 34 -12.458 0.825 -9.855 1.00 54.22 C ATOM 0 H ALA A 34 -11.434 1.169 -7.285 1.00 4.44 H new ATOM 0 HA ALA A 34 -13.366 2.568 -9.076 1.00 12.13 H new ATOM 0 HB1 ALA A 34 -13.317 0.600 -10.487 1.00 54.22 H new ATOM 0 HB2 ALA A 34 -11.718 1.379 -10.432 1.00 54.22 H new ATOM 0 HB3 ALA A 34 -12.017 -0.106 -9.497 1.00 54.22 H new ATOM 549 N LEU A 35 -15.156 1.416 -7.711 1.00 53.24 N ATOM 550 CA LEU A 35 -16.202 0.885 -6.830 1.00 61.15 C ATOM 551 C LEU A 35 -17.498 0.812 -7.638 1.00 43.12 C ATOM 552 O LEU A 35 -17.481 1.111 -8.836 1.00 61.32 O ATOM 553 CB LEU A 35 -16.375 1.764 -5.571 1.00 4.30 C ATOM 554 CG LEU A 35 -15.105 1.917 -4.714 1.00 21.34 C ATOM 555 CD1 LEU A 35 -15.305 3.015 -3.664 1.00 21.44 C ATOM 556 CD2 LEU A 35 -14.683 0.607 -4.044 1.00 13.51 C ATOM 0 H LEU A 35 -15.472 2.203 -8.277 1.00 53.24 H new ATOM 0 HA LEU A 35 -15.925 -0.108 -6.477 1.00 61.15 H new ATOM 0 HB2 LEU A 35 -16.710 2.754 -5.879 1.00 4.30 H new ATOM 0 HB3 LEU A 35 -17.165 1.338 -4.953 1.00 4.30 H new ATOM 0 HG LEU A 35 -14.297 2.201 -5.388 1.00 21.34 H new ATOM 0 HD11 LEU A 35 -14.400 3.114 -3.064 1.00 21.44 H new ATOM 0 HD12 LEU A 35 -15.515 3.961 -4.163 1.00 21.44 H new ATOM 0 HD13 LEU A 35 -16.142 2.752 -3.017 1.00 21.44 H new ATOM 0 HD21 LEU A 35 -13.783 0.774 -3.453 1.00 13.51 H new ATOM 0 HD22 LEU A 35 -15.484 0.257 -3.393 1.00 13.51 H new ATOM 0 HD23 LEU A 35 -14.481 -0.144 -4.808 1.00 13.51 H new ATOM 568 N LEU A 36 -18.606 0.438 -6.996 1.00 64.23 N ATOM 569 CA LEU A 36 -19.880 0.173 -7.656 1.00 4.41 C ATOM 570 C LEU A 36 -20.968 1.086 -7.104 1.00 32.43 C ATOM 571 O LEU A 36 -21.125 1.189 -5.882 1.00 51.51 O ATOM 572 CB LEU A 36 -20.260 -1.298 -7.452 1.00 51.22 C ATOM 573 CG LEU A 36 -19.475 -2.310 -8.306 1.00 14.30 C ATOM 574 CD1 LEU A 36 -20.111 -3.693 -8.114 1.00 50.12 C ATOM 575 CD2 LEU A 36 -19.452 -1.941 -9.796 1.00 33.43 C ATOM 0 H LEU A 36 -18.641 0.309 -5.985 1.00 64.23 H new ATOM 0 HA LEU A 36 -19.780 0.374 -8.723 1.00 4.41 H new ATOM 0 HB2 LEU A 36 -20.119 -1.549 -6.401 1.00 51.22 H new ATOM 0 HB3 LEU A 36 -21.322 -1.414 -7.667 1.00 51.22 H new ATOM 0 HG LEU A 36 -18.437 -2.306 -7.974 1.00 14.30 H new ATOM 0 HD11 LEU A 36 -19.571 -4.428 -8.711 1.00 50.12 H new ATOM 0 HD12 LEU A 36 -20.062 -3.973 -7.062 1.00 50.12 H new ATOM 0 HD13 LEU A 36 -21.153 -3.662 -8.433 1.00 50.12 H new ATOM 0 HD21 LEU A 36 -18.884 -2.690 -10.348 1.00 33.43 H new ATOM 0 HD22 LEU A 36 -20.472 -1.905 -10.178 1.00 33.43 H new ATOM 0 HD23 LEU A 36 -18.983 -0.965 -9.922 1.00 33.43 H new ATOM 587 N LYS A 37 -21.688 1.784 -7.991 1.00 21.23 N ATOM 588 CA LYS A 37 -22.700 2.763 -7.601 1.00 11.20 C ATOM 589 C LYS A 37 -24.028 2.126 -7.182 1.00 63.34 C ATOM 590 O LYS A 37 -24.180 0.917 -7.027 1.00 63.41 O ATOM 591 CB LYS A 37 -22.925 3.802 -8.712 1.00 10.52 C ATOM 592 CG LYS A 37 -21.643 4.363 -9.327 1.00 73.44 C ATOM 593 CD LYS A 37 -21.943 5.349 -10.456 1.00 42.12 C ATOM 594 CE LYS A 37 -22.181 6.796 -9.993 1.00 24.22 C ATOM 595 NZ LYS A 37 -23.427 6.979 -9.221 1.00 51.31 N ATOM 0 H LYS A 37 -21.582 1.683 -9.000 1.00 21.23 H new ATOM 0 HA LYS A 37 -22.305 3.268 -6.720 1.00 11.20 H new ATOM 0 HB2 LYS A 37 -23.522 3.347 -9.502 1.00 10.52 H new ATOM 0 HB3 LYS A 37 -23.509 4.628 -8.306 1.00 10.52 H new ATOM 0 HG2 LYS A 37 -21.056 4.861 -8.555 1.00 73.44 H new ATOM 0 HG3 LYS A 37 -21.035 3.544 -9.711 1.00 73.44 H new ATOM 0 HD2 LYS A 37 -21.112 5.339 -11.161 1.00 42.12 H new ATOM 0 HD3 LYS A 37 -22.824 5.005 -10.997 1.00 42.12 H new ATOM 0 HE2 LYS A 37 -21.336 7.116 -9.383 1.00 24.22 H new ATOM 0 HE3 LYS A 37 -22.207 7.447 -10.867 1.00 24.22 H new ATOM 0 HZ1 LYS A 37 -23.745 7.966 -9.303 1.00 51.31 H new ATOM 0 HZ2 LYS A 37 -24.163 6.346 -9.594 1.00 51.31 H new ATOM 0 HZ3 LYS A 37 -23.252 6.754 -8.221 1.00 51.31 H new ATOM 609 N ASP A 38 -24.990 3.006 -6.949 1.00 23.04 N ATOM 610 CA ASP A 38 -26.395 2.829 -6.612 1.00 63.42 C ATOM 611 C ASP A 38 -27.235 2.135 -7.698 1.00 23.41 C ATOM 612 O ASP A 38 -28.452 2.038 -7.530 1.00 73.22 O ATOM 613 CB ASP A 38 -26.981 4.207 -6.219 1.00 54.45 C ATOM 614 CG ASP A 38 -26.599 5.351 -7.172 1.00 73.32 C ATOM 615 OD1 ASP A 38 -25.468 5.884 -7.023 1.00 1.40 O ATOM 616 OD2 ASP A 38 -27.377 5.729 -8.071 1.00 13.52 O ATOM 0 H ASP A 38 -24.771 4.001 -6.999 1.00 23.04 H new ATOM 0 HA ASP A 38 -26.445 2.139 -5.770 1.00 63.42 H new ATOM 0 HB2 ASP A 38 -28.068 4.129 -6.180 1.00 54.45 H new ATOM 0 HB3 ASP A 38 -26.644 4.459 -5.214 1.00 54.45 H new ATOM 621 N ASP A 39 -26.636 1.594 -8.763 1.00 74.45 N ATOM 622 CA ASP A 39 -27.310 0.753 -9.750 1.00 25.30 C ATOM 623 C ASP A 39 -26.431 -0.479 -9.965 1.00 31.21 C ATOM 624 O ASP A 39 -25.902 -0.710 -11.054 1.00 3.13 O ATOM 625 CB ASP A 39 -27.619 1.542 -11.023 1.00 22.30 C ATOM 626 CG ASP A 39 -28.141 0.674 -12.171 1.00 33.12 C ATOM 627 OD1 ASP A 39 -28.781 -0.371 -11.915 1.00 14.13 O ATOM 628 OD2 ASP A 39 -27.914 1.062 -13.339 1.00 22.44 O ATOM 0 H ASP A 39 -25.646 1.733 -8.965 1.00 74.45 H new ATOM 0 HA ASP A 39 -28.287 0.419 -9.401 1.00 25.30 H new ATOM 0 HB2 ASP A 39 -28.358 2.310 -10.794 1.00 22.30 H new ATOM 0 HB3 ASP A 39 -26.715 2.057 -11.350 1.00 22.30 H new ATOM 633 N GLY A 40 -26.196 -1.219 -8.876 1.00 61.04 N ATOM 634 CA GLY A 40 -25.403 -2.440 -8.809 1.00 32.10 C ATOM 635 C GLY A 40 -24.078 -2.309 -9.551 1.00 34.34 C ATOM 636 O GLY A 40 -23.167 -1.641 -9.081 1.00 41.44 O ATOM 0 H GLY A 40 -26.579 -0.962 -7.967 1.00 61.04 H new ATOM 0 HA2 GLY A 40 -25.210 -2.689 -7.765 1.00 32.10 H new ATOM 0 HA3 GLY A 40 -25.974 -3.266 -9.233 1.00 32.10 H new ATOM 640 N GLU A 41 -23.953 -2.950 -10.710 1.00 13.13 N ATOM 641 CA GLU A 41 -22.723 -3.007 -11.492 1.00 22.34 C ATOM 642 C GLU A 41 -22.578 -1.772 -12.385 1.00 54.24 C ATOM 643 O GLU A 41 -22.467 -1.842 -13.613 1.00 42.32 O ATOM 644 CB GLU A 41 -22.608 -4.339 -12.226 1.00 63.25 C ATOM 645 CG GLU A 41 -23.857 -4.760 -13.015 1.00 13.14 C ATOM 646 CD GLU A 41 -23.528 -5.692 -14.180 1.00 71.33 C ATOM 647 OE1 GLU A 41 -22.703 -6.622 -14.015 1.00 54.45 O ATOM 648 OE2 GLU A 41 -24.072 -5.423 -15.281 1.00 4.41 O ATOM 0 H GLU A 41 -24.725 -3.457 -11.142 1.00 13.13 H new ATOM 0 HA GLU A 41 -21.866 -2.972 -10.819 1.00 22.34 H new ATOM 0 HB2 GLU A 41 -21.764 -4.285 -12.914 1.00 63.25 H new ATOM 0 HB3 GLU A 41 -22.377 -5.118 -11.499 1.00 63.25 H new ATOM 0 HG2 GLU A 41 -24.557 -5.257 -12.343 1.00 13.14 H new ATOM 0 HG3 GLU A 41 -24.359 -3.871 -13.396 1.00 13.14 H new ATOM 655 N THR A 42 -22.581 -0.619 -11.738 1.00 1.51 N ATOM 656 CA THR A 42 -22.351 0.682 -12.344 1.00 42.31 C ATOM 657 C THR A 42 -20.907 1.104 -12.091 1.00 24.10 C ATOM 658 O THR A 42 -20.478 1.235 -10.942 1.00 51.52 O ATOM 659 CB THR A 42 -23.344 1.737 -11.829 1.00 63.44 C ATOM 660 OG1 THR A 42 -24.088 1.301 -10.708 1.00 14.41 O ATOM 661 CG2 THR A 42 -24.301 2.140 -12.945 1.00 42.43 C ATOM 0 H THR A 42 -22.751 -0.561 -10.734 1.00 1.51 H new ATOM 0 HA THR A 42 -22.518 0.603 -13.418 1.00 42.31 H new ATOM 0 HB THR A 42 -22.749 2.592 -11.508 1.00 63.44 H new ATOM 0 HG1 THR A 42 -24.673 0.560 -10.972 1.00 14.41 H new ATOM 0 HG21 THR A 42 -25.001 2.888 -12.572 1.00 42.43 H new ATOM 0 HG22 THR A 42 -23.734 2.557 -13.777 1.00 42.43 H new ATOM 0 HG23 THR A 42 -24.853 1.264 -13.285 1.00 42.43 H new ATOM 669 N GLU A 43 -20.167 1.307 -13.179 1.00 71.23 N ATOM 670 CA GLU A 43 -18.777 1.732 -13.168 1.00 5.13 C ATOM 671 C GLU A 43 -18.608 3.060 -12.427 1.00 24.41 C ATOM 672 O GLU A 43 -19.423 3.979 -12.560 1.00 34.41 O ATOM 673 CB GLU A 43 -18.239 1.808 -14.607 1.00 24.34 C ATOM 674 CG GLU A 43 -18.993 2.793 -15.524 1.00 54.44 C ATOM 675 CD GLU A 43 -18.523 2.773 -16.982 1.00 54.35 C ATOM 676 OE1 GLU A 43 -17.834 1.817 -17.414 1.00 41.45 O ATOM 677 OE2 GLU A 43 -18.862 3.713 -17.742 1.00 65.41 O ATOM 0 H GLU A 43 -20.534 1.175 -14.121 1.00 71.23 H new ATOM 0 HA GLU A 43 -18.190 0.992 -12.625 1.00 5.13 H new ATOM 0 HB2 GLU A 43 -17.188 2.096 -14.573 1.00 24.34 H new ATOM 0 HB3 GLU A 43 -18.283 0.813 -15.050 1.00 24.34 H new ATOM 0 HG2 GLU A 43 -20.057 2.560 -15.493 1.00 54.44 H new ATOM 0 HG3 GLU A 43 -18.876 3.802 -15.129 1.00 54.44 H new ATOM 684 N GLN A 44 -17.522 3.163 -11.666 1.00 25.21 N ATOM 685 CA GLN A 44 -17.146 4.330 -10.892 1.00 3.50 C ATOM 686 C GLN A 44 -15.627 4.329 -10.749 1.00 61.35 C ATOM 687 O GLN A 44 -15.033 3.257 -10.581 1.00 62.04 O ATOM 688 CB GLN A 44 -17.820 4.237 -9.512 1.00 11.43 C ATOM 689 CG GLN A 44 -18.179 5.599 -8.921 1.00 31.02 C ATOM 690 CD GLN A 44 -16.996 6.428 -8.451 1.00 74.05 C ATOM 691 OE1 GLN A 44 -16.732 7.499 -8.983 1.00 51.52 O ATOM 692 NE2 GLN A 44 -16.249 5.945 -7.473 1.00 11.34 N ATOM 0 H GLN A 44 -16.854 2.398 -11.572 1.00 25.21 H new ATOM 0 HA GLN A 44 -17.464 5.252 -11.379 1.00 3.50 H new ATOM 0 HB2 GLN A 44 -18.725 3.636 -9.597 1.00 11.43 H new ATOM 0 HB3 GLN A 44 -17.154 3.715 -8.825 1.00 11.43 H new ATOM 0 HG2 GLN A 44 -18.728 6.170 -9.670 1.00 31.02 H new ATOM 0 HG3 GLN A 44 -18.854 5.446 -8.079 1.00 31.02 H new ATOM 0 HE21 GLN A 44 -16.487 5.051 -7.044 1.00 11.34 H new ATOM 0 HE22 GLN A 44 -15.435 6.467 -7.148 1.00 11.34 H new ATOM 701 N THR A 45 -15.001 5.505 -10.751 1.00 73.33 N ATOM 702 CA THR A 45 -13.563 5.669 -10.570 1.00 63.41 C ATOM 703 C THR A 45 -13.257 6.921 -9.761 1.00 5.23 C ATOM 704 O THR A 45 -13.932 7.948 -9.887 1.00 43.11 O ATOM 705 CB THR A 45 -12.829 5.686 -11.926 1.00 74.43 C ATOM 706 OG1 THR A 45 -13.442 6.579 -12.838 1.00 50.42 O ATOM 707 CG2 THR A 45 -12.799 4.303 -12.576 1.00 45.21 C ATOM 0 H THR A 45 -15.493 6.389 -10.882 1.00 73.33 H new ATOM 0 HA THR A 45 -13.195 4.810 -10.008 1.00 63.41 H new ATOM 0 HB THR A 45 -11.812 6.012 -11.709 1.00 74.43 H new ATOM 0 HG1 THR A 45 -12.952 6.567 -13.687 1.00 50.42 H new ATOM 0 HG21 THR A 45 -12.273 4.360 -13.529 1.00 45.21 H new ATOM 0 HG22 THR A 45 -12.284 3.603 -11.918 1.00 45.21 H new ATOM 0 HG23 THR A 45 -13.819 3.958 -12.745 1.00 45.21 H new ATOM 715 N PHE A 46 -12.254 6.800 -8.888 1.00 33.31 N ATOM 716 CA PHE A 46 -11.865 7.803 -7.920 1.00 63.42 C ATOM 717 C PHE A 46 -10.356 8.038 -7.987 1.00 44.21 C ATOM 718 O PHE A 46 -9.580 7.081 -8.119 1.00 2.43 O ATOM 719 CB PHE A 46 -12.266 7.339 -6.505 1.00 51.54 C ATOM 720 CG PHE A 46 -13.316 8.204 -5.849 1.00 23.33 C ATOM 721 CD1 PHE A 46 -14.474 8.550 -6.566 1.00 64.31 C ATOM 722 CD2 PHE A 46 -13.145 8.649 -4.523 1.00 41.51 C ATOM 723 CE1 PHE A 46 -15.449 9.360 -5.970 1.00 2.11 C ATOM 724 CE2 PHE A 46 -14.128 9.455 -3.924 1.00 33.21 C ATOM 725 CZ PHE A 46 -15.274 9.816 -4.652 1.00 70.31 C ATOM 0 H PHE A 46 -11.673 5.963 -8.842 1.00 33.31 H new ATOM 0 HA PHE A 46 -12.375 8.739 -8.148 1.00 63.42 H new ATOM 0 HB2 PHE A 46 -12.636 6.315 -6.561 1.00 51.54 H new ATOM 0 HB3 PHE A 46 -11.377 7.322 -5.874 1.00 51.54 H new ATOM 0 HD1 PHE A 46 -14.612 8.192 -7.575 1.00 64.31 H new ATOM 0 HD2 PHE A 46 -12.261 8.371 -3.969 1.00 41.51 H new ATOM 0 HE1 PHE A 46 -16.335 9.634 -6.523 1.00 2.11 H new ATOM 0 HE2 PHE A 46 -14.003 9.796 -2.907 1.00 33.21 H new ATOM 0 HZ PHE A 46 -16.024 10.446 -4.197 1.00 70.31 H new ATOM 735 N PRO A 47 -9.917 9.290 -7.787 1.00 43.15 N ATOM 736 CA PRO A 47 -8.517 9.655 -7.828 1.00 44.22 C ATOM 737 C PRO A 47 -7.864 9.209 -6.521 1.00 32.22 C ATOM 738 O PRO A 47 -8.222 9.670 -5.431 1.00 32.11 O ATOM 739 CB PRO A 47 -8.507 11.170 -8.042 1.00 3.44 C ATOM 740 CG PRO A 47 -9.798 11.629 -7.361 1.00 65.25 C ATOM 741 CD PRO A 47 -10.751 10.461 -7.560 1.00 61.34 C ATOM 0 HA PRO A 47 -7.946 9.178 -8.624 1.00 44.22 H new ATOM 0 HB2 PRO A 47 -7.629 11.634 -7.594 1.00 3.44 H new ATOM 0 HB3 PRO A 47 -8.497 11.427 -9.101 1.00 3.44 H new ATOM 0 HG2 PRO A 47 -9.639 11.839 -6.303 1.00 65.25 H new ATOM 0 HG3 PRO A 47 -10.185 12.542 -7.813 1.00 65.25 H new ATOM 0 HD2 PRO A 47 -11.386 10.323 -6.685 1.00 61.34 H new ATOM 0 HD3 PRO A 47 -11.412 10.638 -8.408 1.00 61.34 H new ATOM 749 N PHE A 48 -6.921 8.271 -6.613 1.00 1.53 N ATOM 750 CA PHE A 48 -6.268 7.705 -5.442 1.00 21.10 C ATOM 751 C PHE A 48 -5.181 8.684 -4.950 1.00 3.20 C ATOM 752 O PHE A 48 -3.985 8.518 -5.219 1.00 43.44 O ATOM 753 CB PHE A 48 -5.767 6.288 -5.763 1.00 4.24 C ATOM 754 CG PHE A 48 -5.612 5.333 -4.585 1.00 73.05 C ATOM 755 CD1 PHE A 48 -5.479 5.785 -3.254 1.00 12.22 C ATOM 756 CD2 PHE A 48 -5.636 3.947 -4.836 1.00 24.43 C ATOM 757 CE1 PHE A 48 -5.414 4.864 -2.194 1.00 33.31 C ATOM 758 CE2 PHE A 48 -5.576 3.028 -3.775 1.00 73.35 C ATOM 759 CZ PHE A 48 -5.481 3.485 -2.452 1.00 13.12 C ATOM 0 H PHE A 48 -6.593 7.886 -7.499 1.00 1.53 H new ATOM 0 HA PHE A 48 -6.963 7.584 -4.611 1.00 21.10 H new ATOM 0 HB2 PHE A 48 -6.456 5.838 -6.478 1.00 4.24 H new ATOM 0 HB3 PHE A 48 -4.801 6.373 -6.261 1.00 4.24 H new ATOM 0 HD1 PHE A 48 -5.427 6.844 -3.049 1.00 12.22 H new ATOM 0 HD2 PHE A 48 -5.701 3.588 -5.852 1.00 24.43 H new ATOM 0 HE1 PHE A 48 -5.312 5.218 -1.179 1.00 33.31 H new ATOM 0 HE2 PHE A 48 -5.603 1.968 -3.978 1.00 73.35 H new ATOM 0 HZ PHE A 48 -5.459 2.779 -1.635 1.00 13.12 H new ATOM 769 N THR A 49 -5.612 9.767 -4.304 1.00 12.33 N ATOM 770 CA THR A 49 -4.789 10.855 -3.790 1.00 21.31 C ATOM 771 C THR A 49 -4.100 10.482 -2.468 1.00 65.43 C ATOM 772 O THR A 49 -4.291 9.389 -1.935 1.00 61.12 O ATOM 773 CB THR A 49 -5.674 12.111 -3.669 1.00 3.42 C ATOM 774 OG1 THR A 49 -6.848 11.896 -2.900 1.00 64.14 O ATOM 775 CG2 THR A 49 -6.074 12.608 -5.060 1.00 72.03 C ATOM 0 H THR A 49 -6.604 9.914 -4.116 1.00 12.33 H new ATOM 0 HA THR A 49 -3.973 11.061 -4.483 1.00 21.31 H new ATOM 0 HB THR A 49 -5.075 12.859 -3.149 1.00 3.42 H new ATOM 0 HG1 THR A 49 -7.602 12.362 -3.317 1.00 64.14 H new ATOM 0 HG21 THR A 49 -6.699 13.496 -4.963 1.00 72.03 H new ATOM 0 HG22 THR A 49 -5.178 12.855 -5.630 1.00 72.03 H new ATOM 0 HG23 THR A 49 -6.630 11.827 -5.579 1.00 72.03 H new ATOM 783 N ARG A 50 -3.283 11.388 -1.922 1.00 12.41 N ATOM 784 CA ARG A 50 -2.547 11.199 -0.668 1.00 10.52 C ATOM 785 C ARG A 50 -3.476 11.070 0.546 1.00 25.42 C ATOM 786 O ARG A 50 -3.115 10.461 1.551 1.00 74.03 O ATOM 787 CB ARG A 50 -1.576 12.387 -0.515 1.00 50.33 C ATOM 788 CG ARG A 50 -0.368 12.072 0.375 1.00 63.44 C ATOM 789 CD ARG A 50 0.612 13.256 0.511 1.00 72.43 C ATOM 790 NE ARG A 50 0.402 14.005 1.762 1.00 12.41 N ATOM 791 CZ ARG A 50 -0.540 14.921 2.016 1.00 32.23 C ATOM 792 NH1 ARG A 50 -1.248 15.460 1.030 1.00 50.21 N ATOM 793 NH2 ARG A 50 -0.781 15.276 3.271 1.00 33.31 N ATOM 0 H ARG A 50 -3.111 12.297 -2.351 1.00 12.41 H new ATOM 0 HA ARG A 50 -1.996 10.259 -0.709 1.00 10.52 H new ATOM 0 HB2 ARG A 50 -1.223 12.688 -1.501 1.00 50.33 H new ATOM 0 HB3 ARG A 50 -2.115 13.237 -0.096 1.00 50.33 H new ATOM 0 HG2 ARG A 50 -0.720 11.784 1.366 1.00 63.44 H new ATOM 0 HG3 ARG A 50 0.164 11.214 -0.036 1.00 63.44 H new ATOM 0 HD2 ARG A 50 1.636 12.884 0.478 1.00 72.43 H new ATOM 0 HD3 ARG A 50 0.489 13.928 -0.339 1.00 72.43 H new ATOM 0 HE ARG A 50 1.050 13.802 2.523 1.00 12.41 H new ATOM 0 HH11 ARG A 50 -1.077 15.177 0.065 1.00 50.21 H new ATOM 0 HH12 ARG A 50 -1.963 16.157 1.238 1.00 50.21 H new ATOM 0 HH21 ARG A 50 -0.250 14.852 4.032 1.00 33.31 H new ATOM 0 HH22 ARG A 50 -1.497 15.973 3.475 1.00 33.31 H new ATOM 807 N GLU A 51 -4.683 11.614 0.434 1.00 54.52 N ATOM 808 CA GLU A 51 -5.698 11.867 1.462 1.00 70.34 C ATOM 809 C GLU A 51 -6.412 10.605 1.985 1.00 31.12 C ATOM 810 O GLU A 51 -7.459 10.691 2.627 1.00 52.23 O ATOM 811 CB GLU A 51 -6.701 12.801 0.775 1.00 70.04 C ATOM 812 CG GLU A 51 -7.555 13.664 1.712 1.00 25.41 C ATOM 813 CD GLU A 51 -7.252 15.138 1.445 1.00 30.43 C ATOM 814 OE1 GLU A 51 -7.714 15.664 0.400 1.00 34.30 O ATOM 815 OE2 GLU A 51 -6.500 15.759 2.226 1.00 52.35 O ATOM 0 H GLU A 51 -5.015 11.924 -0.479 1.00 54.52 H new ATOM 0 HA GLU A 51 -5.230 12.287 2.352 1.00 70.34 H new ATOM 0 HB2 GLU A 51 -6.153 13.461 0.102 1.00 70.04 H new ATOM 0 HB3 GLU A 51 -7.367 12.198 0.158 1.00 70.04 H new ATOM 0 HG2 GLU A 51 -8.614 13.462 1.549 1.00 25.41 H new ATOM 0 HG3 GLU A 51 -7.339 13.418 2.752 1.00 25.41 H new ATOM 822 N LYS A 52 -5.924 9.426 1.606 1.00 21.22 N ATOM 823 CA LYS A 52 -6.620 8.141 1.652 1.00 50.11 C ATOM 824 C LYS A 52 -5.588 6.997 1.621 1.00 53.34 C ATOM 825 O LYS A 52 -5.917 5.875 1.256 1.00 32.41 O ATOM 826 CB LYS A 52 -7.651 8.090 0.499 1.00 72.23 C ATOM 827 CG LYS A 52 -7.100 8.580 -0.842 1.00 71.41 C ATOM 828 CD LYS A 52 -8.038 8.290 -2.011 1.00 24.41 C ATOM 829 CE LYS A 52 -9.378 9.020 -2.077 1.00 2.40 C ATOM 830 NZ LYS A 52 -9.278 10.487 -1.961 1.00 33.22 N ATOM 0 H LYS A 52 -4.977 9.336 1.237 1.00 21.22 H new ATOM 0 HA LYS A 52 -7.179 8.020 2.580 1.00 50.11 H new ATOM 0 HB2 LYS A 52 -8.004 7.065 0.384 1.00 72.23 H new ATOM 0 HB3 LYS A 52 -8.516 8.696 0.770 1.00 72.23 H new ATOM 0 HG2 LYS A 52 -6.920 9.654 -0.785 1.00 71.41 H new ATOM 0 HG3 LYS A 52 -6.137 8.105 -1.029 1.00 71.41 H new ATOM 0 HD2 LYS A 52 -7.497 8.510 -2.931 1.00 24.41 H new ATOM 0 HD3 LYS A 52 -8.245 7.220 -2.011 1.00 24.41 H new ATOM 0 HE2 LYS A 52 -9.866 8.775 -3.020 1.00 2.40 H new ATOM 0 HE3 LYS A 52 -10.021 8.647 -1.279 1.00 2.40 H new ATOM 0 HZ1 LYS A 52 -10.055 10.931 -2.491 1.00 33.22 H new ATOM 0 HZ2 LYS A 52 -9.341 10.761 -0.960 1.00 33.22 H new ATOM 0 HZ3 LYS A 52 -8.367 10.805 -2.350 1.00 33.22 H new ATOM 844 N TRP A 53 -4.325 7.279 1.944 1.00 20.44 N ATOM 845 CA TRP A 53 -3.287 6.264 2.099 1.00 0.40 C ATOM 846 C TRP A 53 -3.436 5.592 3.478 1.00 35.02 C ATOM 847 O TRP A 53 -4.287 5.982 4.277 1.00 53.42 O ATOM 848 CB TRP A 53 -1.935 6.969 1.971 1.00 41.12 C ATOM 849 CG TRP A 53 -0.711 6.114 2.035 1.00 23.54 C ATOM 850 CD1 TRP A 53 0.100 6.054 3.109 1.00 22.41 C ATOM 851 CD2 TRP A 53 -0.170 5.153 1.078 1.00 44.41 C ATOM 852 NE1 TRP A 53 1.022 5.046 2.941 1.00 11.23 N ATOM 853 CE2 TRP A 53 0.901 4.454 1.712 1.00 40.33 C ATOM 854 CE3 TRP A 53 -0.464 4.786 -0.250 1.00 64.45 C ATOM 855 CZ2 TRP A 53 1.608 3.416 1.093 1.00 13.33 C ATOM 856 CZ3 TRP A 53 0.304 3.813 -0.919 1.00 2.50 C ATOM 857 CH2 TRP A 53 1.332 3.126 -0.249 1.00 64.52 C ATOM 0 H TRP A 53 -3.992 8.229 2.107 1.00 20.44 H new ATOM 0 HA TRP A 53 -3.369 5.487 1.339 1.00 0.40 H new ATOM 0 HB2 TRP A 53 -1.923 7.507 1.023 1.00 41.12 H new ATOM 0 HB3 TRP A 53 -1.867 7.716 2.762 1.00 41.12 H new ATOM 0 HD1 TRP A 53 0.036 6.700 3.972 1.00 22.41 H new ATOM 0 HE1 TRP A 53 1.709 4.774 3.644 1.00 11.23 H new ATOM 0 HE3 TRP A 53 -1.290 5.257 -0.762 1.00 64.45 H new ATOM 0 HZ2 TRP A 53 2.350 2.851 1.638 1.00 13.33 H new ATOM 0 HZ3 TRP A 53 0.101 3.592 -1.957 1.00 2.50 H new ATOM 0 HH2 TRP A 53 1.908 2.375 -0.769 1.00 64.52 H new ATOM 868 N ALA A 54 -2.572 4.640 3.827 1.00 61.32 N ATOM 869 CA ALA A 54 -2.409 4.099 5.173 1.00 4.21 C ATOM 870 C ALA A 54 -1.079 3.409 5.297 1.00 63.15 C ATOM 871 O ALA A 54 -0.461 2.988 4.316 1.00 20.40 O ATOM 872 CB ALA A 54 -3.476 3.031 5.415 1.00 51.13 C ATOM 0 H ALA A 54 -1.942 4.208 3.152 1.00 61.32 H new ATOM 0 HA ALA A 54 -2.487 4.921 5.885 1.00 4.21 H new ATOM 0 HB1 ALA A 54 -3.360 2.622 6.419 1.00 51.13 H new ATOM 0 HB2 ALA A 54 -4.466 3.477 5.316 1.00 51.13 H new ATOM 0 HB3 ALA A 54 -3.363 2.232 4.683 1.00 51.13 H new ATOM 878 N LEU A 55 -0.640 3.358 6.541 1.00 43.03 N ATOM 879 CA LEU A 55 0.752 3.233 6.863 1.00 35.13 C ATOM 880 C LEU A 55 1.014 1.766 7.128 1.00 0.44 C ATOM 881 O LEU A 55 0.447 1.187 8.055 1.00 32.22 O ATOM 882 CB LEU A 55 1.065 4.178 8.021 1.00 61.34 C ATOM 883 CG LEU A 55 0.612 5.642 7.804 1.00 12.12 C ATOM 884 CD1 LEU A 55 0.468 6.175 6.393 1.00 71.33 C ATOM 885 CD2 LEU A 55 -0.484 6.149 8.709 1.00 11.04 C ATOM 0 H LEU A 55 -1.252 3.403 7.356 1.00 43.03 H new ATOM 0 HA LEU A 55 1.424 3.532 6.059 1.00 35.13 H new ATOM 0 HB2 LEU A 55 0.588 3.795 8.923 1.00 61.34 H new ATOM 0 HB3 LEU A 55 2.140 4.168 8.200 1.00 61.34 H new ATOM 0 HG LEU A 55 1.543 6.097 8.141 1.00 12.12 H new ATOM 0 HD11 LEU A 55 0.143 7.215 6.428 1.00 71.33 H new ATOM 0 HD12 LEU A 55 1.428 6.112 5.880 1.00 71.33 H new ATOM 0 HD13 LEU A 55 -0.271 5.582 5.854 1.00 71.33 H new ATOM 0 HD21 LEU A 55 -0.712 7.185 8.459 1.00 11.04 H new ATOM 0 HD22 LEU A 55 -1.377 5.539 8.576 1.00 11.04 H new ATOM 0 HD23 LEU A 55 -0.155 6.090 9.747 1.00 11.04 H new ATOM 897 N LEU A 56 1.742 1.143 6.207 1.00 51.02 N ATOM 898 CA LEU A 56 2.039 -0.290 6.255 1.00 53.34 C ATOM 899 C LEU A 56 3.130 -0.502 7.311 1.00 34.10 C ATOM 900 O LEU A 56 4.019 0.346 7.433 1.00 44.44 O ATOM 901 CB LEU A 56 2.498 -0.767 4.862 1.00 41.44 C ATOM 902 CG LEU A 56 1.432 -0.616 3.755 1.00 52.43 C ATOM 903 CD1 LEU A 56 2.051 -0.757 2.361 1.00 21.20 C ATOM 904 CD2 LEU A 56 0.328 -1.672 3.879 1.00 72.14 C ATOM 0 H LEU A 56 2.146 1.618 5.400 1.00 51.02 H new ATOM 0 HA LEU A 56 1.157 -0.871 6.525 1.00 53.34 H new ATOM 0 HB2 LEU A 56 3.387 -0.206 4.573 1.00 41.44 H new ATOM 0 HB3 LEU A 56 2.790 -1.815 4.928 1.00 41.44 H new ATOM 0 HG LEU A 56 1.008 0.380 3.882 1.00 52.43 H new ATOM 0 HD11 LEU A 56 1.274 -0.646 1.605 1.00 21.20 H new ATOM 0 HD12 LEU A 56 2.808 0.014 2.219 1.00 21.20 H new ATOM 0 HD13 LEU A 56 2.512 -1.740 2.265 1.00 21.20 H new ATOM 0 HD21 LEU A 56 -0.402 -1.531 3.082 1.00 72.14 H new ATOM 0 HD22 LEU A 56 0.766 -2.667 3.798 1.00 72.14 H new ATOM 0 HD23 LEU A 56 -0.166 -1.570 4.845 1.00 72.14 H new ATOM 916 N ASP A 57 3.116 -1.614 8.043 1.00 60.21 N ATOM 917 CA ASP A 57 4.110 -1.854 9.091 1.00 13.34 C ATOM 918 C ASP A 57 5.358 -2.520 8.503 1.00 74.13 C ATOM 919 O ASP A 57 5.400 -2.898 7.325 1.00 55.40 O ATOM 920 CB ASP A 57 3.558 -2.711 10.241 1.00 43.24 C ATOM 921 CG ASP A 57 2.250 -2.188 10.833 1.00 54.44 C ATOM 922 OD1 ASP A 57 2.279 -1.236 11.649 1.00 12.12 O ATOM 923 OD2 ASP A 57 1.165 -2.703 10.464 1.00 64.44 O ATOM 0 H ASP A 57 2.431 -2.361 7.932 1.00 60.21 H new ATOM 0 HA ASP A 57 4.373 -0.880 9.504 1.00 13.34 H new ATOM 0 HB2 ASP A 57 3.401 -3.727 9.880 1.00 43.24 H new ATOM 0 HB3 ASP A 57 4.306 -2.766 11.031 1.00 43.24 H new ATOM 928 N GLU A 58 6.394 -2.687 9.325 1.00 41.03 N ATOM 929 CA GLU A 58 7.637 -3.322 8.910 1.00 12.24 C ATOM 930 C GLU A 58 7.492 -4.813 8.633 1.00 60.12 C ATOM 931 O GLU A 58 8.084 -5.305 7.671 1.00 72.32 O ATOM 932 CB GLU A 58 8.791 -2.992 9.845 1.00 14.35 C ATOM 933 CG GLU A 58 8.612 -3.439 11.285 1.00 12.33 C ATOM 934 CD GLU A 58 9.891 -3.184 12.092 1.00 44.23 C ATOM 935 OE1 GLU A 58 10.685 -2.283 11.732 1.00 0.01 O ATOM 936 OE2 GLU A 58 10.153 -3.894 13.095 1.00 23.33 O ATOM 0 H GLU A 58 6.391 -2.384 10.299 1.00 41.03 H new ATOM 0 HA GLU A 58 7.893 -2.884 7.945 1.00 12.24 H new ATOM 0 HB2 GLU A 58 9.698 -3.450 9.451 1.00 14.35 H new ATOM 0 HB3 GLU A 58 8.948 -1.913 9.834 1.00 14.35 H new ATOM 0 HG2 GLU A 58 7.777 -2.903 11.737 1.00 12.33 H new ATOM 0 HG3 GLU A 58 8.363 -4.500 11.314 1.00 12.33 H new ATOM 943 N GLU A 59 6.687 -5.507 9.434 1.00 71.42 N ATOM 944 CA GLU A 59 6.314 -6.895 9.172 1.00 75.30 C ATOM 945 C GLU A 59 5.507 -6.998 7.878 1.00 51.34 C ATOM 946 O GLU A 59 5.636 -7.997 7.169 1.00 0.24 O ATOM 947 CB GLU A 59 5.432 -7.465 10.295 1.00 55.34 C ATOM 948 CG GLU A 59 6.084 -7.553 11.674 1.00 20.55 C ATOM 949 CD GLU A 59 5.128 -8.251 12.649 1.00 31.50 C ATOM 950 OE1 GLU A 59 4.105 -7.646 13.051 1.00 43.43 O ATOM 951 OE2 GLU A 59 5.380 -9.424 13.012 1.00 64.25 O ATOM 0 H GLU A 59 6.274 -5.123 10.284 1.00 71.42 H new ATOM 0 HA GLU A 59 7.245 -7.458 9.103 1.00 75.30 H new ATOM 0 HB2 GLU A 59 4.537 -6.849 10.376 1.00 55.34 H new ATOM 0 HB3 GLU A 59 5.106 -8.464 10.004 1.00 55.34 H new ATOM 0 HG2 GLU A 59 7.022 -8.105 11.610 1.00 20.55 H new ATOM 0 HG3 GLU A 59 6.326 -6.554 12.038 1.00 20.55 H new ATOM 958 N THR A 60 4.673 -5.994 7.582 1.00 51.03 N ATOM 959 CA THR A 60 3.786 -5.999 6.437 1.00 51.22 C ATOM 960 C THR A 60 4.603 -6.071 5.155 1.00 14.12 C ATOM 961 O THR A 60 4.342 -6.938 4.320 1.00 42.44 O ATOM 962 CB THR A 60 2.888 -4.756 6.442 1.00 35.41 C ATOM 963 OG1 THR A 60 2.285 -4.561 7.703 1.00 11.42 O ATOM 964 CG2 THR A 60 1.798 -4.843 5.380 1.00 15.01 C ATOM 0 H THR A 60 4.602 -5.147 8.146 1.00 51.03 H new ATOM 0 HA THR A 60 3.141 -6.876 6.493 1.00 51.22 H new ATOM 0 HB THR A 60 3.535 -3.908 6.217 1.00 35.41 H new ATOM 0 HG1 THR A 60 1.418 -4.120 7.586 1.00 11.42 H new ATOM 0 HG21 THR A 60 1.183 -3.944 5.415 1.00 15.01 H new ATOM 0 HG22 THR A 60 2.256 -4.931 4.395 1.00 15.01 H new ATOM 0 HG23 THR A 60 1.174 -5.717 5.569 1.00 15.01 H new ATOM 972 N LEU A 61 5.598 -5.194 4.970 1.00 14.43 N ATOM 973 CA LEU A 61 6.235 -5.040 3.665 1.00 64.54 C ATOM 974 C LEU A 61 7.382 -6.023 3.471 1.00 74.40 C ATOM 975 O LEU A 61 8.322 -5.768 2.717 1.00 41.10 O ATOM 976 CB LEU A 61 6.641 -3.584 3.468 1.00 53.02 C ATOM 977 CG LEU A 61 5.439 -2.744 3.006 1.00 22.42 C ATOM 978 CD1 LEU A 61 5.707 -1.310 3.420 1.00 33.43 C ATOM 979 CD2 LEU A 61 5.224 -2.827 1.491 1.00 13.14 C ATOM 0 H LEU A 61 5.973 -4.589 5.701 1.00 14.43 H new ATOM 0 HA LEU A 61 5.519 -5.291 2.883 1.00 64.54 H new ATOM 0 HB2 LEU A 61 7.035 -3.182 4.401 1.00 53.02 H new ATOM 0 HB3 LEU A 61 7.441 -3.521 2.730 1.00 53.02 H new ATOM 0 HG LEU A 61 4.529 -3.128 3.468 1.00 22.42 H new ATOM 0 HD11 LEU A 61 4.874 -0.680 3.109 1.00 33.43 H new ATOM 0 HD12 LEU A 61 5.816 -1.258 4.503 1.00 33.43 H new ATOM 0 HD13 LEU A 61 6.624 -0.960 2.946 1.00 33.43 H new ATOM 0 HD21 LEU A 61 4.364 -2.218 1.212 1.00 13.14 H new ATOM 0 HD22 LEU A 61 6.112 -2.459 0.977 1.00 13.14 H new ATOM 0 HD23 LEU A 61 5.043 -3.863 1.205 1.00 13.14 H new ATOM 991 N LYS A 62 7.311 -7.155 4.154 1.00 71.23 N ATOM 992 CA LYS A 62 8.424 -8.054 4.327 1.00 20.33 C ATOM 993 C LYS A 62 8.180 -9.313 3.544 1.00 52.43 C ATOM 994 O LYS A 62 7.060 -9.820 3.470 1.00 72.41 O ATOM 995 CB LYS A 62 8.535 -8.391 5.803 1.00 31.32 C ATOM 996 CG LYS A 62 9.975 -8.444 6.279 1.00 31.15 C ATOM 997 CD LYS A 62 10.062 -9.252 7.580 1.00 2.15 C ATOM 998 CE LYS A 62 11.499 -9.365 8.090 1.00 33.43 C ATOM 999 NZ LYS A 62 12.364 -10.177 7.206 1.00 60.34 N ATOM 0 H LYS A 62 6.456 -7.474 4.610 1.00 71.23 H new ATOM 0 HA LYS A 62 9.344 -7.588 3.973 1.00 20.33 H new ATOM 0 HB2 LYS A 62 7.990 -7.647 6.384 1.00 31.32 H new ATOM 0 HB3 LYS A 62 8.058 -9.353 5.990 1.00 31.32 H new ATOM 0 HG2 LYS A 62 10.604 -8.900 5.514 1.00 31.15 H new ATOM 0 HG3 LYS A 62 10.352 -7.434 6.441 1.00 31.15 H new ATOM 0 HD2 LYS A 62 9.443 -8.779 8.342 1.00 2.15 H new ATOM 0 HD3 LYS A 62 9.657 -10.250 7.414 1.00 2.15 H new ATOM 0 HE2 LYS A 62 11.924 -8.366 8.187 1.00 33.43 H new ATOM 0 HE3 LYS A 62 11.491 -9.806 9.087 1.00 33.43 H new ATOM 0 HZ1 LYS A 62 13.306 -10.275 7.636 1.00 60.34 H new ATOM 0 HZ2 LYS A 62 11.943 -11.119 7.078 1.00 60.34 H new ATOM 0 HZ3 LYS A 62 12.452 -9.709 6.282 1.00 60.34 H new ATOM 1013 N GLU A 63 9.260 -9.844 3.021 1.00 41.23 N ATOM 1014 CA GLU A 63 9.225 -11.091 2.287 1.00 51.32 C ATOM 1015 C GLU A 63 9.063 -12.229 3.289 1.00 53.34 C ATOM 1016 O GLU A 63 9.675 -12.218 4.365 1.00 22.51 O ATOM 1017 CB GLU A 63 10.463 -11.317 1.399 1.00 51.42 C ATOM 1018 CG GLU A 63 11.000 -10.066 0.687 1.00 1.21 C ATOM 1019 CD GLU A 63 12.114 -9.388 1.510 1.00 55.41 C ATOM 1020 OE1 GLU A 63 11.791 -8.722 2.521 1.00 35.44 O ATOM 1021 OE2 GLU A 63 13.314 -9.534 1.183 1.00 40.21 O ATOM 0 H GLU A 63 10.188 -9.426 3.091 1.00 41.23 H new ATOM 0 HA GLU A 63 8.380 -11.054 1.599 1.00 51.32 H new ATOM 0 HB2 GLU A 63 11.260 -11.734 2.015 1.00 51.42 H new ATOM 0 HB3 GLU A 63 10.217 -12.066 0.646 1.00 51.42 H new ATOM 0 HG2 GLU A 63 11.386 -10.341 -0.294 1.00 1.21 H new ATOM 0 HG3 GLU A 63 10.185 -9.361 0.523 1.00 1.21 H new ATOM 1028 N GLY A 64 8.280 -13.230 2.909 1.00 61.53 N ATOM 1029 CA GLY A 64 8.220 -14.513 3.578 1.00 61.14 C ATOM 1030 C GLY A 64 6.817 -15.082 3.485 1.00 44.35 C ATOM 1031 O GLY A 64 6.033 -14.772 2.577 1.00 40.42 O ATOM 0 H GLY A 64 7.655 -13.166 2.106 1.00 61.53 H new ATOM 0 HA2 GLY A 64 8.932 -15.203 3.124 1.00 61.14 H new ATOM 0 HA3 GLY A 64 8.507 -14.401 4.623 1.00 61.14 H new ATOM 1035 N ARG A 65 6.485 -15.945 4.431 1.00 44.14 N ATOM 1036 CA ARG A 65 5.113 -16.254 4.772 1.00 43.45 C ATOM 1037 C ARG A 65 4.999 -16.060 6.275 1.00 32.24 C ATOM 1038 O ARG A 65 5.910 -16.429 7.025 1.00 14.20 O ATOM 1039 CB ARG A 65 4.713 -17.656 4.284 1.00 55.02 C ATOM 1040 CG ARG A 65 5.506 -18.795 4.924 1.00 71.14 C ATOM 1041 CD ARG A 65 4.904 -20.160 4.605 1.00 11.41 C ATOM 1042 NE ARG A 65 5.255 -21.141 5.646 1.00 21.51 N ATOM 1043 CZ ARG A 65 5.359 -22.458 5.442 1.00 40.43 C ATOM 1044 NH1 ARG A 65 5.075 -22.969 4.251 1.00 1.32 N ATOM 1045 NH2 ARG A 65 5.749 -23.268 6.419 1.00 34.40 N ATOM 0 H ARG A 65 7.171 -16.455 4.988 1.00 44.14 H new ATOM 0 HA ARG A 65 4.405 -15.595 4.269 1.00 43.45 H new ATOM 0 HB2 ARG A 65 3.653 -17.809 4.485 1.00 55.02 H new ATOM 0 HB3 ARG A 65 4.842 -17.702 3.203 1.00 55.02 H new ATOM 0 HG2 ARG A 65 6.537 -18.762 4.571 1.00 71.14 H new ATOM 0 HG3 ARG A 65 5.534 -18.655 6.005 1.00 71.14 H new ATOM 0 HD2 ARG A 65 3.820 -20.076 4.529 1.00 11.41 H new ATOM 0 HD3 ARG A 65 5.266 -20.505 3.636 1.00 11.41 H new ATOM 0 HE ARG A 65 5.431 -20.791 6.588 1.00 21.51 H new ATOM 0 HH11 ARG A 65 4.777 -22.357 3.491 1.00 1.32 H new ATOM 0 HH12 ARG A 65 5.154 -23.974 4.095 1.00 1.32 H new ATOM 0 HH21 ARG A 65 5.973 -22.887 7.338 1.00 34.40 H new ATOM 0 HH22 ARG A 65 5.824 -24.271 6.250 1.00 34.40 H new ATOM 1059 N THR A 66 3.891 -15.498 6.718 1.00 74.41 N ATOM 1060 CA THR A 66 3.514 -15.467 8.117 1.00 43.44 C ATOM 1061 C THR A 66 3.181 -16.911 8.531 1.00 41.04 C ATOM 1062 O THR A 66 3.079 -17.820 7.696 1.00 23.51 O ATOM 1063 CB THR A 66 2.343 -14.471 8.244 1.00 13.43 C ATOM 1064 OG1 THR A 66 2.726 -13.266 7.605 1.00 72.14 O ATOM 1065 CG2 THR A 66 1.940 -14.139 9.677 1.00 53.21 C ATOM 0 H THR A 66 3.216 -15.042 6.104 1.00 74.41 H new ATOM 0 HA THR A 66 4.299 -15.122 8.790 1.00 43.44 H new ATOM 0 HB THR A 66 1.478 -14.949 7.785 1.00 13.43 H new ATOM 0 HG1 THR A 66 1.996 -12.615 7.670 1.00 72.14 H new ATOM 0 HG21 THR A 66 1.110 -13.432 9.667 1.00 53.21 H new ATOM 0 HG22 THR A 66 1.634 -15.051 10.189 1.00 53.21 H new ATOM 0 HG23 THR A 66 2.788 -13.696 10.200 1.00 53.21 H new ATOM 1146 N THR A 73 -1.829 -18.739 6.841 1.00 73.13 N ATOM 1147 CA THR A 73 -0.583 -18.444 6.171 1.00 44.05 C ATOM 1148 C THR A 73 -0.830 -17.226 5.285 1.00 2.24 C ATOM 1149 O THR A 73 -1.301 -17.368 4.154 1.00 23.50 O ATOM 1150 CB THR A 73 -0.127 -19.659 5.341 1.00 1.12 C ATOM 1151 OG1 THR A 73 -0.094 -20.857 6.094 1.00 22.32 O ATOM 1152 CG2 THR A 73 1.274 -19.415 4.800 1.00 73.12 C ATOM 0 HA THR A 73 0.211 -18.231 6.886 1.00 44.05 H new ATOM 0 HB THR A 73 -0.855 -19.774 4.538 1.00 1.12 H new ATOM 0 HG1 THR A 73 -0.750 -20.805 6.820 1.00 22.32 H new ATOM 0 HG21 THR A 73 1.593 -20.277 4.214 1.00 73.12 H new ATOM 0 HG22 THR A 73 1.270 -18.527 4.168 1.00 73.12 H new ATOM 0 HG23 THR A 73 1.964 -19.266 5.631 1.00 73.12 H new ATOM 1160 N TYR A 74 -0.533 -16.026 5.778 1.00 24.21 N ATOM 1161 CA TYR A 74 -0.347 -14.895 4.878 1.00 15.44 C ATOM 1162 C TYR A 74 0.975 -15.087 4.135 1.00 15.12 C ATOM 1163 O TYR A 74 1.914 -15.682 4.676 1.00 73.12 O ATOM 1164 CB TYR A 74 -0.328 -13.582 5.680 1.00 12.22 C ATOM 1165 CG TYR A 74 -0.596 -12.284 4.933 1.00 35.13 C ATOM 1166 CD1 TYR A 74 -1.311 -12.244 3.720 1.00 74.33 C ATOM 1167 CD2 TYR A 74 -0.180 -11.075 5.522 1.00 55.04 C ATOM 1168 CE1 TYR A 74 -1.625 -11.014 3.121 1.00 32.21 C ATOM 1169 CE2 TYR A 74 -0.493 -9.837 4.935 1.00 11.34 C ATOM 1170 CZ TYR A 74 -1.234 -9.802 3.736 1.00 51.22 C ATOM 1171 OH TYR A 74 -1.577 -8.612 3.167 1.00 44.34 O ATOM 0 H TYR A 74 -0.419 -15.816 6.770 1.00 24.21 H new ATOM 0 HA TYR A 74 -1.168 -14.842 4.163 1.00 15.44 H new ATOM 0 HB2 TYR A 74 -1.067 -13.667 6.477 1.00 12.22 H new ATOM 0 HB3 TYR A 74 0.648 -13.497 6.158 1.00 12.22 H new ATOM 0 HD1 TYR A 74 -1.619 -13.165 3.248 1.00 74.33 H new ATOM 0 HD2 TYR A 74 0.389 -11.099 6.440 1.00 55.04 H new ATOM 0 HE1 TYR A 74 -2.167 -10.993 2.187 1.00 32.21 H new ATOM 0 HE2 TYR A 74 -0.168 -8.918 5.400 1.00 11.34 H new ATOM 0 HH TYR A 74 -1.233 -7.876 3.715 1.00 44.34 H new ATOM 1181 N ILE A 75 1.070 -14.585 2.906 1.00 4.44 N ATOM 1182 CA ILE A 75 2.289 -14.601 2.114 1.00 12.13 C ATOM 1183 C ILE A 75 2.529 -13.179 1.654 1.00 64.14 C ATOM 1184 O ILE A 75 1.588 -12.404 1.471 1.00 15.04 O ATOM 1185 CB ILE A 75 2.189 -15.613 0.951 1.00 35.10 C ATOM 1186 CG1 ILE A 75 2.110 -17.021 1.568 1.00 41.05 C ATOM 1187 CG2 ILE A 75 3.399 -15.462 0.007 1.00 0.03 C ATOM 1188 CD1 ILE A 75 1.859 -18.145 0.577 1.00 23.10 C ATOM 0 H ILE A 75 0.283 -14.148 2.426 1.00 4.44 H new ATOM 0 HA ILE A 75 3.143 -14.940 2.701 1.00 12.13 H new ATOM 0 HB ILE A 75 1.299 -15.433 0.347 1.00 35.10 H new ATOM 0 HG12 ILE A 75 3.043 -17.223 2.094 1.00 41.05 H new ATOM 0 HG13 ILE A 75 1.315 -17.030 2.313 1.00 41.05 H new ATOM 0 HG21 ILE A 75 3.316 -16.181 -0.808 1.00 0.03 H new ATOM 0 HG22 ILE A 75 3.418 -14.451 -0.401 1.00 0.03 H new ATOM 0 HG23 ILE A 75 4.319 -15.647 0.562 1.00 0.03 H new ATOM 0 HD11 ILE A 75 1.820 -19.096 1.108 1.00 23.10 H new ATOM 0 HD12 ILE A 75 0.911 -17.975 0.067 1.00 23.10 H new ATOM 0 HD13 ILE A 75 2.666 -18.171 -0.156 1.00 23.10 H new ATOM 1200 N SER A 76 3.800 -12.818 1.504 1.00 53.32 N ATOM 1201 CA SER A 76 4.215 -11.538 0.981 1.00 72.22 C ATOM 1202 C SER A 76 5.586 -11.708 0.320 1.00 61.42 C ATOM 1203 O SER A 76 6.426 -12.466 0.818 1.00 52.02 O ATOM 1204 CB SER A 76 4.269 -10.560 2.149 1.00 32.40 C ATOM 1205 OG SER A 76 3.013 -10.428 2.792 1.00 52.32 O ATOM 0 H SER A 76 4.580 -13.427 1.751 1.00 53.32 H new ATOM 0 HA SER A 76 3.523 -11.155 0.231 1.00 72.22 H new ATOM 0 HB2 SER A 76 5.012 -10.899 2.871 1.00 32.40 H new ATOM 0 HB3 SER A 76 4.596 -9.584 1.790 1.00 32.40 H new ATOM 0 HG SER A 76 3.091 -9.794 3.535 1.00 52.32 H new ATOM 1211 N HIS A 77 5.833 -11.034 -0.802 1.00 2.33 N ATOM 1212 CA HIS A 77 7.146 -10.945 -1.447 1.00 34.15 C ATOM 1213 C HIS A 77 7.116 -9.868 -2.523 1.00 33.32 C ATOM 1214 O HIS A 77 6.056 -9.371 -2.904 1.00 35.12 O ATOM 1215 CB HIS A 77 7.603 -12.289 -2.061 1.00 15.40 C ATOM 1216 CG HIS A 77 6.760 -12.912 -3.151 1.00 31.24 C ATOM 1217 ND1 HIS A 77 7.119 -14.035 -3.873 1.00 43.22 N ATOM 1218 CD2 HIS A 77 5.499 -12.550 -3.548 1.00 73.25 C ATOM 1219 CE1 HIS A 77 6.096 -14.340 -4.687 1.00 0.33 C ATOM 1220 NE2 HIS A 77 5.091 -13.468 -4.515 1.00 71.44 N ATOM 0 H HIS A 77 5.108 -10.520 -1.302 1.00 2.33 H new ATOM 0 HA HIS A 77 7.869 -10.686 -0.674 1.00 34.15 H new ATOM 0 HB2 HIS A 77 8.607 -12.146 -2.460 1.00 15.40 H new ATOM 0 HB3 HIS A 77 7.683 -13.013 -1.250 1.00 15.40 H new ATOM 0 HD2 HIS A 77 4.928 -11.710 -3.180 1.00 73.25 H new ATOM 0 HE1 HIS A 77 6.084 -15.168 -5.380 1.00 0.33 H new ATOM 0 HE2 HIS A 77 4.195 -13.475 -5.001 1.00 71.44 H new ATOM 1228 N PHE A 78 8.291 -9.533 -3.046 1.00 75.14 N ATOM 1229 CA PHE A 78 8.416 -8.855 -4.324 1.00 24.15 C ATOM 1230 C PHE A 78 8.418 -9.929 -5.419 1.00 4.31 C ATOM 1231 O PHE A 78 8.871 -11.054 -5.181 1.00 14.11 O ATOM 1232 CB PHE A 78 9.700 -8.014 -4.306 1.00 71.20 C ATOM 1233 CG PHE A 78 10.976 -8.826 -4.279 1.00 55.33 C ATOM 1234 CD1 PHE A 78 11.504 -9.324 -3.075 1.00 62.53 C ATOM 1235 CD2 PHE A 78 11.595 -9.133 -5.497 1.00 13.11 C ATOM 1236 CE1 PHE A 78 12.629 -10.168 -3.103 1.00 3.11 C ATOM 1237 CE2 PHE A 78 12.679 -10.024 -5.531 1.00 64.12 C ATOM 1238 CZ PHE A 78 13.201 -10.540 -4.332 1.00 43.14 C ATOM 0 H PHE A 78 9.183 -9.726 -2.592 1.00 75.14 H new ATOM 0 HA PHE A 78 7.588 -8.173 -4.520 1.00 24.15 H new ATOM 0 HB2 PHE A 78 9.711 -7.371 -5.186 1.00 71.20 H new ATOM 0 HB3 PHE A 78 9.680 -7.361 -3.434 1.00 71.20 H new ATOM 0 HD1 PHE A 78 11.048 -9.060 -2.132 1.00 62.53 H new ATOM 0 HD2 PHE A 78 11.238 -8.683 -6.412 1.00 13.11 H new ATOM 0 HE1 PHE A 78 13.054 -10.531 -2.179 1.00 3.11 H new ATOM 0 HE2 PHE A 78 13.112 -10.313 -6.477 1.00 64.12 H new ATOM 0 HZ PHE A 78 14.039 -11.220 -4.355 1.00 43.14 H new ATOM 1248 N THR A 79 7.953 -9.589 -6.620 1.00 71.40 N ATOM 1249 CA THR A 79 7.684 -10.545 -7.698 1.00 33.53 C ATOM 1250 C THR A 79 8.590 -10.324 -8.920 1.00 1.32 C ATOM 1251 O THR A 79 8.370 -10.927 -9.974 1.00 55.42 O ATOM 1252 CB THR A 79 6.175 -10.497 -8.024 1.00 33.13 C ATOM 1253 OG1 THR A 79 5.716 -9.161 -8.160 1.00 23.13 O ATOM 1254 CG2 THR A 79 5.370 -11.154 -6.905 1.00 53.02 C ATOM 0 H THR A 79 7.748 -8.624 -6.878 1.00 71.40 H new ATOM 0 HA THR A 79 7.933 -11.554 -7.368 1.00 33.53 H new ATOM 0 HB THR A 79 6.035 -11.030 -8.965 1.00 33.13 H new ATOM 0 HG1 THR A 79 4.758 -9.164 -8.368 1.00 23.13 H new ATOM 0 HG21 THR A 79 4.308 -11.113 -7.148 1.00 53.02 H new ATOM 0 HG22 THR A 79 5.678 -12.194 -6.798 1.00 53.02 H new ATOM 0 HG23 THR A 79 5.549 -10.625 -5.969 1.00 53.02 H new ATOM 1262 N VAL A 80 9.597 -9.459 -8.825 1.00 35.42 N ATOM 1263 CA VAL A 80 10.403 -8.971 -9.944 1.00 54.10 C ATOM 1264 C VAL A 80 11.747 -8.513 -9.377 1.00 42.30 C ATOM 1265 O VAL A 80 11.774 -7.742 -8.417 1.00 21.41 O ATOM 1266 CB VAL A 80 9.623 -7.841 -10.676 1.00 52.43 C ATOM 1267 CG1 VAL A 80 9.007 -6.846 -9.688 1.00 3.11 C ATOM 1268 CG2 VAL A 80 10.508 -7.120 -11.711 1.00 32.25 C ATOM 0 H VAL A 80 9.886 -9.062 -7.931 1.00 35.42 H new ATOM 0 HA VAL A 80 10.597 -9.744 -10.687 1.00 54.10 H new ATOM 0 HB VAL A 80 8.804 -8.317 -11.216 1.00 52.43 H new ATOM 0 HG11 VAL A 80 8.471 -6.072 -10.238 1.00 3.11 H new ATOM 0 HG12 VAL A 80 8.314 -7.369 -9.029 1.00 3.11 H new ATOM 0 HG13 VAL A 80 9.797 -6.387 -9.093 1.00 3.11 H new ATOM 0 HG21 VAL A 80 9.930 -6.338 -12.202 1.00 32.25 H new ATOM 0 HG22 VAL A 80 11.367 -6.675 -11.208 1.00 32.25 H new ATOM 0 HG23 VAL A 80 10.855 -7.837 -12.456 1.00 32.25 H new ATOM 1278 N ASN A 81 12.870 -8.961 -9.945 1.00 63.41 N ATOM 1279 CA ASN A 81 14.193 -8.598 -9.435 1.00 51.03 C ATOM 1280 C ASN A 81 14.963 -7.818 -10.496 1.00 30.35 C ATOM 1281 O ASN A 81 16.053 -8.225 -10.903 1.00 72.12 O ATOM 1282 CB ASN A 81 14.948 -9.830 -8.907 1.00 62.50 C ATOM 1283 CG ASN A 81 16.028 -9.412 -7.908 1.00 71.21 C ATOM 1284 OD1 ASN A 81 16.031 -9.856 -6.759 1.00 1.32 O ATOM 1285 ND2 ASN A 81 16.932 -8.528 -8.292 1.00 60.50 N ATOM 0 H ASN A 81 12.888 -9.576 -10.759 1.00 63.41 H new ATOM 0 HA ASN A 81 14.081 -7.938 -8.575 1.00 51.03 H new ATOM 0 HB2 ASN A 81 14.248 -10.515 -8.429 1.00 62.50 H new ATOM 0 HB3 ASN A 81 15.403 -10.368 -9.738 1.00 62.50 H new ATOM 0 HD21 ASN A 81 17.642 -8.206 -7.634 1.00 60.50 H new ATOM 0 HD22 ASN A 81 16.920 -8.167 -9.246 1.00 60.50 H new ATOM 1292 N GLU A 82 14.409 -6.695 -10.933 1.00 72.30 N ATOM 1293 CA GLU A 82 15.142 -5.704 -11.723 1.00 22.14 C ATOM 1294 C GLU A 82 15.788 -4.717 -10.737 1.00 12.13 C ATOM 1295 O GLU A 82 15.310 -4.602 -9.606 1.00 43.14 O ATOM 1296 CB GLU A 82 14.179 -4.973 -12.667 1.00 22.42 C ATOM 1297 CG GLU A 82 13.527 -5.859 -13.734 1.00 2.33 C ATOM 1298 CD GLU A 82 14.249 -5.786 -15.078 1.00 50.24 C ATOM 1299 OE1 GLU A 82 15.283 -6.475 -15.262 1.00 72.53 O ATOM 1300 OE2 GLU A 82 13.783 -5.035 -15.970 1.00 71.44 O ATOM 0 H GLU A 82 13.438 -6.441 -10.752 1.00 72.30 H new ATOM 0 HA GLU A 82 15.908 -6.181 -12.334 1.00 22.14 H new ATOM 0 HB2 GLU A 82 13.393 -4.507 -12.072 1.00 22.42 H new ATOM 0 HB3 GLU A 82 14.721 -4.169 -13.165 1.00 22.42 H new ATOM 0 HG2 GLU A 82 13.517 -6.892 -13.387 1.00 2.33 H new ATOM 0 HG3 GLU A 82 12.488 -5.557 -13.867 1.00 2.33 H new ATOM 1307 N PRO A 83 16.857 -3.996 -11.126 1.00 25.54 N ATOM 1308 CA PRO A 83 17.535 -3.059 -10.242 1.00 21.52 C ATOM 1309 C PRO A 83 16.610 -1.928 -9.789 1.00 21.44 C ATOM 1310 O PRO A 83 16.437 -1.751 -8.582 1.00 21.44 O ATOM 1311 CB PRO A 83 18.755 -2.551 -11.022 1.00 11.33 C ATOM 1312 CG PRO A 83 18.405 -2.823 -12.482 1.00 64.40 C ATOM 1313 CD PRO A 83 17.528 -4.068 -12.409 1.00 25.13 C ATOM 0 HA PRO A 83 17.846 -3.541 -9.316 1.00 21.52 H new ATOM 0 HB2 PRO A 83 18.927 -1.489 -10.845 1.00 11.33 H new ATOM 0 HB3 PRO A 83 19.664 -3.075 -10.726 1.00 11.33 H new ATOM 0 HG2 PRO A 83 17.874 -1.983 -12.931 1.00 64.40 H new ATOM 0 HG3 PRO A 83 19.297 -2.995 -13.084 1.00 64.40 H new ATOM 0 HD2 PRO A 83 16.808 -4.089 -13.227 1.00 25.13 H new ATOM 0 HD3 PRO A 83 18.127 -4.975 -12.488 1.00 25.13 H new ATOM 1321 N ALA A 84 15.990 -1.202 -10.721 1.00 5.15 N ATOM 1322 CA ALA A 84 15.315 0.061 -10.430 1.00 42.00 C ATOM 1323 C ALA A 84 13.793 -0.081 -10.308 1.00 43.02 C ATOM 1324 O ALA A 84 13.109 0.901 -10.051 1.00 31.21 O ATOM 1325 CB ALA A 84 15.672 1.059 -11.544 1.00 25.51 C ATOM 0 H ALA A 84 15.943 -1.476 -11.702 1.00 5.15 H new ATOM 0 HA ALA A 84 15.659 0.415 -9.458 1.00 42.00 H new ATOM 0 HB1 ALA A 84 15.180 2.012 -11.350 1.00 25.51 H new ATOM 0 HB2 ALA A 84 16.752 1.207 -11.568 1.00 25.51 H new ATOM 0 HB3 ALA A 84 15.338 0.667 -12.505 1.00 25.51 H new ATOM 1331 N HIS A 85 13.240 -1.268 -10.546 1.00 1.41 N ATOM 1332 CA HIS A 85 11.838 -1.426 -10.896 1.00 31.43 C ATOM 1333 C HIS A 85 11.339 -2.703 -10.244 1.00 72.50 C ATOM 1334 O HIS A 85 11.621 -3.788 -10.754 1.00 73.31 O ATOM 1335 CB HIS A 85 11.778 -1.479 -12.427 1.00 3.14 C ATOM 1336 CG HIS A 85 10.409 -1.681 -13.010 1.00 12.13 C ATOM 1337 ND1 HIS A 85 10.011 -2.775 -13.744 1.00 25.44 N ATOM 1338 CD2 HIS A 85 9.377 -0.782 -12.992 1.00 52.31 C ATOM 1339 CE1 HIS A 85 8.763 -2.546 -14.169 1.00 34.31 C ATOM 1340 NE2 HIS A 85 8.328 -1.347 -13.733 1.00 51.24 N ATOM 0 H HIS A 85 13.756 -2.147 -10.500 1.00 1.41 H new ATOM 0 HA HIS A 85 11.204 -0.611 -10.547 1.00 31.43 H new ATOM 0 HB2 HIS A 85 12.190 -0.550 -12.822 1.00 3.14 H new ATOM 0 HB3 HIS A 85 12.424 -2.286 -12.772 1.00 3.14 H new ATOM 0 HD2 HIS A 85 9.371 0.180 -12.501 1.00 52.31 H new ATOM 0 HE1 HIS A 85 8.185 -3.227 -14.776 1.00 34.31 H new ATOM 0 HE2 HIS A 85 7.413 -0.931 -13.908 1.00 51.24 H new ATOM 1348 N LYS A 86 10.679 -2.615 -9.086 1.00 21.32 N ATOM 1349 CA LYS A 86 10.178 -3.821 -8.422 1.00 72.22 C ATOM 1350 C LYS A 86 8.750 -3.587 -7.936 1.00 63.31 C ATOM 1351 O LYS A 86 8.278 -2.454 -7.881 1.00 74.22 O ATOM 1352 CB LYS A 86 11.126 -4.332 -7.309 1.00 45.32 C ATOM 1353 CG LYS A 86 12.581 -4.512 -7.781 1.00 3.22 C ATOM 1354 CD LYS A 86 13.477 -5.153 -6.707 1.00 51.40 C ATOM 1355 CE LYS A 86 14.419 -4.139 -6.048 1.00 51.20 C ATOM 1356 NZ LYS A 86 15.590 -3.845 -6.899 1.00 41.01 N ATOM 0 H LYS A 86 10.482 -1.741 -8.597 1.00 21.32 H new ATOM 0 HA LYS A 86 10.155 -4.630 -9.152 1.00 72.22 H new ATOM 0 HB2 LYS A 86 11.106 -3.631 -6.475 1.00 45.32 H new ATOM 0 HB3 LYS A 86 10.753 -5.285 -6.933 1.00 45.32 H new ATOM 0 HG2 LYS A 86 12.594 -5.132 -8.677 1.00 3.22 H new ATOM 0 HG3 LYS A 86 12.991 -3.541 -8.059 1.00 3.22 H new ATOM 0 HD2 LYS A 86 12.851 -5.612 -5.942 1.00 51.40 H new ATOM 0 HD3 LYS A 86 14.066 -5.951 -7.159 1.00 51.40 H new ATOM 0 HE2 LYS A 86 13.876 -3.216 -5.846 1.00 51.20 H new ATOM 0 HE3 LYS A 86 14.756 -4.527 -5.087 1.00 51.20 H new ATOM 0 HZ1 LYS A 86 16.451 -4.209 -6.443 1.00 41.01 H new ATOM 0 HZ2 LYS A 86 15.469 -4.302 -7.825 1.00 41.01 H new ATOM 0 HZ3 LYS A 86 15.675 -2.817 -7.029 1.00 41.01 H new ATOM 1370 N GLU A 87 8.069 -4.658 -7.542 1.00 1.41 N ATOM 1371 CA GLU A 87 6.727 -4.610 -6.980 1.00 13.23 C ATOM 1372 C GLU A 87 6.770 -5.222 -5.582 1.00 21.13 C ATOM 1373 O GLU A 87 7.815 -5.716 -5.139 1.00 63.21 O ATOM 1374 CB GLU A 87 5.700 -5.360 -7.850 1.00 12.14 C ATOM 1375 CG GLU A 87 5.847 -5.247 -9.371 1.00 62.21 C ATOM 1376 CD GLU A 87 4.503 -5.397 -10.067 1.00 71.25 C ATOM 1377 OE1 GLU A 87 4.029 -6.548 -10.202 1.00 73.12 O ATOM 1378 OE2 GLU A 87 3.912 -4.401 -10.539 1.00 41.31 O ATOM 0 H GLU A 87 8.445 -5.604 -7.607 1.00 1.41 H new ATOM 0 HA GLU A 87 6.406 -3.569 -6.940 1.00 13.23 H new ATOM 0 HB2 GLU A 87 5.742 -6.417 -7.585 1.00 12.14 H new ATOM 0 HB3 GLU A 87 4.706 -5.003 -7.580 1.00 12.14 H new ATOM 0 HG2 GLU A 87 6.286 -4.282 -9.626 1.00 62.21 H new ATOM 0 HG3 GLU A 87 6.533 -6.014 -9.731 1.00 62.21 H new ATOM 1385 N PHE A 88 5.627 -5.255 -4.902 1.00 32.42 N ATOM 1386 CA PHE A 88 5.402 -6.095 -3.738 1.00 23.31 C ATOM 1387 C PHE A 88 3.943 -6.554 -3.751 1.00 35.42 C ATOM 1388 O PHE A 88 3.054 -5.798 -4.153 1.00 72.15 O ATOM 1389 CB PHE A 88 5.784 -5.311 -2.479 1.00 3.13 C ATOM 1390 CG PHE A 88 5.851 -6.130 -1.211 1.00 24.52 C ATOM 1391 CD1 PHE A 88 6.962 -6.957 -0.952 1.00 74.42 C ATOM 1392 CD2 PHE A 88 4.830 -6.015 -0.255 1.00 42.15 C ATOM 1393 CE1 PHE A 88 7.040 -7.659 0.264 1.00 72.33 C ATOM 1394 CE2 PHE A 88 4.879 -6.745 0.937 1.00 22.52 C ATOM 1395 CZ PHE A 88 5.985 -7.567 1.186 1.00 64.22 C ATOM 0 H PHE A 88 4.818 -4.686 -5.153 1.00 32.42 H new ATOM 0 HA PHE A 88 6.024 -6.990 -3.752 1.00 23.31 H new ATOM 0 HB2 PHE A 88 6.754 -4.842 -2.642 1.00 3.13 H new ATOM 0 HB3 PHE A 88 5.061 -4.507 -2.337 1.00 3.13 H new ATOM 0 HD1 PHE A 88 7.750 -7.051 -1.684 1.00 74.42 H new ATOM 0 HD2 PHE A 88 3.996 -5.355 -0.442 1.00 42.15 H new ATOM 0 HE1 PHE A 88 7.906 -8.265 0.487 1.00 72.33 H new ATOM 0 HE2 PHE A 88 4.075 -6.676 1.655 1.00 22.52 H new ATOM 0 HZ PHE A 88 6.027 -8.139 2.101 1.00 64.22 H new ATOM 1405 N GLU A 89 3.684 -7.779 -3.307 1.00 23.53 N ATOM 1406 CA GLU A 89 2.428 -8.503 -3.455 1.00 0.33 C ATOM 1407 C GLU A 89 2.195 -9.288 -2.163 1.00 3.42 C ATOM 1408 O GLU A 89 3.112 -10.004 -1.740 1.00 54.42 O ATOM 1409 CB GLU A 89 2.574 -9.495 -4.630 1.00 43.23 C ATOM 1410 CG GLU A 89 1.587 -9.234 -5.764 1.00 61.43 C ATOM 1411 CD GLU A 89 1.660 -10.345 -6.817 1.00 42.45 C ATOM 1412 OE1 GLU A 89 1.202 -11.473 -6.528 1.00 75.15 O ATOM 1413 OE2 GLU A 89 2.130 -10.079 -7.950 1.00 62.44 O ATOM 0 H GLU A 89 4.386 -8.324 -2.806 1.00 23.53 H new ATOM 0 HA GLU A 89 1.598 -7.823 -3.647 1.00 0.33 H new ATOM 0 HB2 GLU A 89 3.590 -9.438 -5.021 1.00 43.23 H new ATOM 0 HB3 GLU A 89 2.432 -10.510 -4.260 1.00 43.23 H new ATOM 0 HG2 GLU A 89 0.575 -9.172 -5.364 1.00 61.43 H new ATOM 0 HG3 GLU A 89 1.806 -8.272 -6.228 1.00 61.43 H new ATOM 1420 N ALA A 90 0.999 -9.219 -1.560 1.00 31.43 N ATOM 1421 CA ALA A 90 0.606 -10.081 -0.451 1.00 23.33 C ATOM 1422 C ALA A 90 -0.828 -10.562 -0.605 1.00 4.13 C ATOM 1423 O ALA A 90 -1.725 -9.751 -0.862 1.00 53.32 O ATOM 1424 CB ALA A 90 0.698 -9.348 0.884 1.00 51.32 C ATOM 0 H ALA A 90 0.275 -8.555 -1.836 1.00 31.43 H new ATOM 0 HA ALA A 90 1.293 -10.927 -0.466 1.00 23.33 H new ATOM 0 HB1 ALA A 90 0.398 -10.019 1.689 1.00 51.32 H new ATOM 0 HB2 ALA A 90 1.724 -9.019 1.049 1.00 51.32 H new ATOM 0 HB3 ALA A 90 0.037 -8.481 0.869 1.00 51.32 H new ATOM 1430 N GLY A 91 -1.054 -11.840 -0.320 1.00 75.02 N ATOM 1431 CA GLY A 91 -2.351 -12.478 -0.148 1.00 51.12 C ATOM 1432 C GLY A 91 -2.150 -13.770 0.636 1.00 34.32 C ATOM 1433 O GLY A 91 -1.017 -14.232 0.794 1.00 61.23 O ATOM 0 H GLY A 91 -0.285 -12.499 -0.195 1.00 75.02 H new ATOM 0 HA2 GLY A 91 -3.033 -11.814 0.383 1.00 51.12 H new ATOM 0 HA3 GLY A 91 -2.802 -12.689 -1.118 1.00 51.12 H new ATOM 1437 N TYR A 92 -3.217 -14.329 1.200 1.00 75.22 N ATOM 1438 CA TYR A 92 -3.139 -15.614 1.886 1.00 22.01 C ATOM 1439 C TYR A 92 -2.871 -16.766 0.922 1.00 51.15 C ATOM 1440 O TYR A 92 -3.117 -16.672 -0.282 1.00 75.42 O ATOM 1441 CB TYR A 92 -4.409 -15.838 2.714 1.00 2.43 C ATOM 1442 CG TYR A 92 -4.281 -15.250 4.100 1.00 41.23 C ATOM 1443 CD1 TYR A 92 -4.179 -13.857 4.261 1.00 31.34 C ATOM 1444 CD2 TYR A 92 -4.158 -16.098 5.214 1.00 31.13 C ATOM 1445 CE1 TYR A 92 -3.905 -13.311 5.522 1.00 34.40 C ATOM 1446 CE2 TYR A 92 -3.877 -15.559 6.480 1.00 72.13 C ATOM 1447 CZ TYR A 92 -3.722 -14.164 6.636 1.00 3.24 C ATOM 1448 OH TYR A 92 -3.331 -13.662 7.837 1.00 11.11 O ATOM 0 H TYR A 92 -4.147 -13.911 1.195 1.00 75.22 H new ATOM 0 HA TYR A 92 -2.286 -15.590 2.564 1.00 22.01 H new ATOM 0 HB2 TYR A 92 -5.260 -15.387 2.204 1.00 2.43 H new ATOM 0 HB3 TYR A 92 -4.611 -16.906 2.789 1.00 2.43 H new ATOM 0 HD1 TYR A 92 -4.312 -13.206 3.410 1.00 31.34 H new ATOM 0 HD2 TYR A 92 -4.280 -17.165 5.096 1.00 31.13 H new ATOM 0 HE1 TYR A 92 -3.834 -12.240 5.644 1.00 34.40 H new ATOM 0 HE2 TYR A 92 -3.779 -16.212 7.335 1.00 72.13 H new ATOM 0 HH TYR A 92 -3.257 -14.391 8.488 1.00 11.11 H new ATOM 1458 N ASP A 93 -2.390 -17.886 1.472 1.00 54.34 N ATOM 1459 CA ASP A 93 -1.936 -19.051 0.710 1.00 34.44 C ATOM 1460 C ASP A 93 -3.085 -19.936 0.211 1.00 54.32 C ATOM 1461 O ASP A 93 -2.958 -21.149 0.059 1.00 4.54 O ATOM 1462 CB ASP A 93 -0.961 -19.855 1.587 1.00 73.01 C ATOM 1463 CG ASP A 93 -0.099 -20.858 0.809 1.00 33.12 C ATOM 1464 OD1 ASP A 93 -0.066 -20.807 -0.446 1.00 13.23 O ATOM 1465 OD2 ASP A 93 0.607 -21.633 1.497 1.00 75.12 O ATOM 0 H ASP A 93 -2.304 -18.009 2.481 1.00 54.34 H new ATOM 0 HA ASP A 93 -1.436 -18.693 -0.190 1.00 34.44 H new ATOM 0 HB2 ASP A 93 -0.306 -19.161 2.113 1.00 73.01 H new ATOM 0 HB3 ASP A 93 -1.530 -20.393 2.345 1.00 73.01 H new ATOM 1470 N GLU A 94 -4.209 -19.304 -0.114 1.00 33.42 N ATOM 1471 CA GLU A 94 -5.378 -19.887 -0.746 1.00 11.43 C ATOM 1472 C GLU A 94 -6.116 -18.877 -1.643 1.00 54.52 C ATOM 1473 O GLU A 94 -7.060 -19.279 -2.322 1.00 33.33 O ATOM 1474 CB GLU A 94 -6.316 -20.565 0.270 1.00 73.31 C ATOM 1475 CG GLU A 94 -5.725 -21.836 0.910 1.00 53.53 C ATOM 1476 CD GLU A 94 -6.782 -22.744 1.533 1.00 13.43 C ATOM 1477 OE1 GLU A 94 -7.147 -22.559 2.719 1.00 62.01 O ATOM 1478 OE2 GLU A 94 -7.254 -23.673 0.836 1.00 35.24 O ATOM 0 H GLU A 94 -4.331 -18.308 0.071 1.00 33.42 H new ATOM 0 HA GLU A 94 -5.016 -20.678 -1.402 1.00 11.43 H new ATOM 0 HB2 GLU A 94 -6.559 -19.852 1.058 1.00 73.31 H new ATOM 0 HB3 GLU A 94 -7.251 -20.821 -0.228 1.00 73.31 H new ATOM 0 HG2 GLU A 94 -5.176 -22.395 0.152 1.00 53.53 H new ATOM 0 HG3 GLU A 94 -5.006 -21.548 1.677 1.00 53.53 H new ATOM 1485 N SER A 95 -5.693 -17.608 -1.750 1.00 0.53 N ATOM 1486 CA SER A 95 -6.392 -16.591 -2.541 1.00 33.14 C ATOM 1487 C SER A 95 -5.406 -15.662 -3.263 1.00 44.25 C ATOM 1488 O SER A 95 -4.191 -15.875 -3.242 1.00 73.32 O ATOM 1489 CB SER A 95 -7.380 -15.833 -1.636 1.00 44.51 C ATOM 1490 OG SER A 95 -8.411 -15.228 -2.405 1.00 51.34 O ATOM 0 H SER A 95 -4.853 -17.260 -1.287 1.00 0.53 H new ATOM 0 HA SER A 95 -6.966 -17.076 -3.331 1.00 33.14 H new ATOM 0 HB2 SER A 95 -7.817 -16.521 -0.912 1.00 44.51 H new ATOM 0 HB3 SER A 95 -6.848 -15.069 -1.069 1.00 44.51 H new ATOM 0 HG SER A 95 -9.028 -14.754 -1.809 1.00 51.34 H new ATOM 1496 N GLU A 96 -5.963 -14.651 -3.932 1.00 71.21 N ATOM 1497 CA GLU A 96 -5.284 -13.615 -4.708 1.00 33.01 C ATOM 1498 C GLU A 96 -4.609 -12.608 -3.763 1.00 43.15 C ATOM 1499 O GLU A 96 -4.955 -12.552 -2.580 1.00 15.33 O ATOM 1500 CB GLU A 96 -6.354 -12.857 -5.526 1.00 60.34 C ATOM 1501 CG GLU A 96 -6.640 -13.487 -6.893 1.00 3.43 C ATOM 1502 CD GLU A 96 -7.826 -12.831 -7.611 1.00 35.24 C ATOM 1503 OE1 GLU A 96 -8.071 -11.608 -7.478 1.00 14.13 O ATOM 1504 OE2 GLU A 96 -8.586 -13.563 -8.284 1.00 31.41 O ATOM 0 H GLU A 96 -6.975 -14.527 -3.946 1.00 71.21 H new ATOM 0 HA GLU A 96 -4.533 -14.072 -5.353 1.00 33.01 H new ATOM 0 HB2 GLU A 96 -7.280 -12.820 -4.952 1.00 60.34 H new ATOM 0 HB3 GLU A 96 -6.027 -11.827 -5.671 1.00 60.34 H new ATOM 0 HG2 GLU A 96 -5.751 -13.405 -7.519 1.00 3.43 H new ATOM 0 HG3 GLU A 96 -6.842 -14.550 -6.763 1.00 3.43 H new ATOM 1511 N PRO A 97 -3.693 -11.757 -4.255 1.00 51.33 N ATOM 1512 CA PRO A 97 -3.197 -10.629 -3.488 1.00 14.41 C ATOM 1513 C PRO A 97 -4.230 -9.510 -3.365 1.00 42.13 C ATOM 1514 O PRO A 97 -4.690 -8.970 -4.367 1.00 51.21 O ATOM 1515 CB PRO A 97 -1.953 -10.141 -4.217 1.00 51.51 C ATOM 1516 CG PRO A 97 -2.197 -10.569 -5.668 1.00 21.20 C ATOM 1517 CD PRO A 97 -3.020 -11.850 -5.542 1.00 64.14 C ATOM 0 HA PRO A 97 -2.976 -10.933 -2.465 1.00 14.41 H new ATOM 0 HB2 PRO A 97 -1.836 -9.061 -4.132 1.00 51.51 H new ATOM 0 HB3 PRO A 97 -1.047 -10.593 -3.812 1.00 51.51 H new ATOM 0 HG2 PRO A 97 -2.735 -9.802 -6.225 1.00 21.20 H new ATOM 0 HG3 PRO A 97 -1.259 -10.747 -6.195 1.00 21.20 H new ATOM 0 HD2 PRO A 97 -3.740 -11.935 -6.356 1.00 64.14 H new ATOM 0 HD3 PRO A 97 -2.382 -12.732 -5.588 1.00 64.14 H new ATOM 1525 N SER A 98 -4.508 -9.096 -2.131 1.00 52.35 N ATOM 1526 CA SER A 98 -5.286 -7.893 -1.813 1.00 22.03 C ATOM 1527 C SER A 98 -4.393 -6.674 -1.549 1.00 53.31 C ATOM 1528 O SER A 98 -4.894 -5.556 -1.414 1.00 14.42 O ATOM 1529 CB SER A 98 -6.155 -8.156 -0.581 1.00 14.32 C ATOM 1530 OG SER A 98 -7.329 -8.861 -0.944 1.00 13.14 O ATOM 0 H SER A 98 -4.192 -9.598 -1.301 1.00 52.35 H new ATOM 0 HA SER A 98 -5.907 -7.668 -2.680 1.00 22.03 H new ATOM 0 HB2 SER A 98 -5.591 -8.731 0.153 1.00 14.32 H new ATOM 0 HB3 SER A 98 -6.423 -7.211 -0.109 1.00 14.32 H new ATOM 0 HG SER A 98 -7.873 -9.023 -0.145 1.00 13.14 H new ATOM 1536 N LEU A 99 -3.072 -6.856 -1.475 1.00 3.11 N ATOM 1537 CA LEU A 99 -2.138 -5.795 -1.126 1.00 62.34 C ATOM 1538 C LEU A 99 -1.072 -5.792 -2.205 1.00 44.41 C ATOM 1539 O LEU A 99 -0.307 -6.754 -2.306 1.00 24.20 O ATOM 1540 CB LEU A 99 -1.595 -6.035 0.296 1.00 32.34 C ATOM 1541 CG LEU A 99 -1.164 -4.809 1.119 1.00 73.15 C ATOM 1542 CD1 LEU A 99 0.072 -4.064 0.600 1.00 0.01 C ATOM 1543 CD2 LEU A 99 -2.345 -3.842 1.334 1.00 63.32 C ATOM 0 H LEU A 99 -2.622 -7.753 -1.658 1.00 3.11 H new ATOM 0 HA LEU A 99 -2.600 -4.808 -1.094 1.00 62.34 H new ATOM 0 HB2 LEU A 99 -2.362 -6.565 0.862 1.00 32.34 H new ATOM 0 HB3 LEU A 99 -0.738 -6.703 0.218 1.00 32.34 H new ATOM 0 HG LEU A 99 -0.850 -5.222 2.078 1.00 73.15 H new ATOM 0 HD11 LEU A 99 0.288 -3.218 1.253 1.00 0.01 H new ATOM 0 HD12 LEU A 99 0.926 -4.741 0.588 1.00 0.01 H new ATOM 0 HD13 LEU A 99 -0.119 -3.703 -0.411 1.00 0.01 H new ATOM 0 HD21 LEU A 99 -2.011 -2.985 1.919 1.00 63.32 H new ATOM 0 HD22 LEU A 99 -2.716 -3.500 0.368 1.00 63.32 H new ATOM 0 HD23 LEU A 99 -3.144 -4.357 1.868 1.00 63.32 H new ATOM 1555 N ARG A 100 -1.074 -4.763 -3.055 1.00 23.00 N ATOM 1556 CA ARG A 100 -0.173 -4.645 -4.197 1.00 62.05 C ATOM 1557 C ARG A 100 0.428 -3.245 -4.216 1.00 14.30 C ATOM 1558 O ARG A 100 -0.258 -2.289 -3.857 1.00 42.25 O ATOM 1559 CB ARG A 100 -0.927 -5.004 -5.493 1.00 23.41 C ATOM 1560 CG ARG A 100 -0.032 -5.835 -6.411 1.00 51.24 C ATOM 1561 CD ARG A 100 -0.794 -6.410 -7.615 1.00 34.20 C ATOM 1562 NE ARG A 100 0.038 -7.391 -8.321 1.00 51.11 N ATOM 1563 CZ ARG A 100 -0.244 -8.074 -9.432 1.00 42.51 C ATOM 1564 NH1 ARG A 100 -1.412 -7.942 -10.052 1.00 31.13 N ATOM 1565 NH2 ARG A 100 0.673 -8.899 -9.911 1.00 25.44 N ATOM 0 H ARG A 100 -1.715 -3.975 -2.965 1.00 23.00 H new ATOM 0 HA ARG A 100 0.655 -5.349 -4.115 1.00 62.05 H new ATOM 0 HB2 ARG A 100 -1.832 -5.562 -5.253 1.00 23.41 H new ATOM 0 HB3 ARG A 100 -1.240 -4.094 -6.005 1.00 23.41 H new ATOM 0 HG2 ARG A 100 0.791 -5.216 -6.768 1.00 51.24 H new ATOM 0 HG3 ARG A 100 0.409 -6.652 -5.840 1.00 51.24 H new ATOM 0 HD2 ARG A 100 -1.718 -6.881 -7.279 1.00 34.20 H new ATOM 0 HD3 ARG A 100 -1.075 -5.605 -8.294 1.00 34.20 H new ATOM 0 HE ARG A 100 0.952 -7.575 -7.908 1.00 51.11 H new ATOM 0 HH11 ARG A 100 -2.118 -7.307 -9.680 1.00 31.13 H new ATOM 0 HH12 ARG A 100 -1.602 -8.476 -10.900 1.00 31.13 H new ATOM 0 HH21 ARG A 100 1.568 -9.000 -9.432 1.00 25.44 H new ATOM 0 HH22 ARG A 100 0.485 -9.434 -10.759 1.00 25.44 H new ATOM 1579 N VAL A 101 1.711 -3.127 -4.557 1.00 54.54 N ATOM 1580 CA VAL A 101 2.503 -1.898 -4.505 1.00 34.12 C ATOM 1581 C VAL A 101 3.487 -1.969 -5.676 1.00 30.21 C ATOM 1582 O VAL A 101 4.005 -3.052 -5.961 1.00 72.22 O ATOM 1583 CB VAL A 101 3.279 -1.825 -3.162 1.00 32.12 C ATOM 1584 CG1 VAL A 101 4.283 -0.667 -3.124 1.00 43.21 C ATOM 1585 CG2 VAL A 101 2.424 -1.696 -1.887 1.00 73.15 C ATOM 0 H VAL A 101 2.252 -3.924 -4.893 1.00 54.54 H new ATOM 0 HA VAL A 101 1.870 -1.013 -4.573 1.00 34.12 H new ATOM 0 HB VAL A 101 3.770 -2.798 -3.147 1.00 32.12 H new ATOM 0 HG11 VAL A 101 4.797 -0.663 -2.163 1.00 43.21 H new ATOM 0 HG12 VAL A 101 5.012 -0.791 -3.925 1.00 43.21 H new ATOM 0 HG13 VAL A 101 3.755 0.277 -3.257 1.00 43.21 H new ATOM 0 HG21 VAL A 101 3.076 -1.654 -1.014 1.00 73.15 H new ATOM 0 HG22 VAL A 101 1.828 -0.785 -1.939 1.00 73.15 H new ATOM 0 HG23 VAL A 101 1.762 -2.558 -1.804 1.00 73.15 H new ATOM 1595 N VAL A 102 3.844 -0.824 -6.264 1.00 10.42 N ATOM 1596 CA VAL A 102 4.909 -0.708 -7.262 1.00 23.35 C ATOM 1597 C VAL A 102 5.941 0.304 -6.761 1.00 32.23 C ATOM 1598 O VAL A 102 5.584 1.287 -6.101 1.00 74.33 O ATOM 1599 CB VAL A 102 4.304 -0.324 -8.627 1.00 30.35 C ATOM 1600 CG1 VAL A 102 5.378 -0.096 -9.699 1.00 10.35 C ATOM 1601 CG2 VAL A 102 3.332 -1.422 -9.088 1.00 72.24 C ATOM 0 H VAL A 102 3.391 0.066 -6.055 1.00 10.42 H new ATOM 0 HA VAL A 102 5.419 -1.661 -7.404 1.00 23.35 H new ATOM 0 HB VAL A 102 3.772 0.618 -8.496 1.00 30.35 H new ATOM 0 HG11 VAL A 102 4.900 0.172 -10.641 1.00 10.35 H new ATOM 0 HG12 VAL A 102 6.040 0.711 -9.385 1.00 10.35 H new ATOM 0 HG13 VAL A 102 5.958 -1.009 -9.833 1.00 10.35 H new ATOM 0 HG21 VAL A 102 2.905 -1.149 -10.053 1.00 72.24 H new ATOM 0 HG22 VAL A 102 3.868 -2.366 -9.183 1.00 72.24 H new ATOM 0 HG23 VAL A 102 2.532 -1.531 -8.356 1.00 72.24 H new ATOM 1611 N PHE A 103 7.212 0.070 -7.093 1.00 11.32 N ATOM 1612 CA PHE A 103 8.370 0.820 -6.647 1.00 61.10 C ATOM 1613 C PHE A 103 9.187 1.247 -7.867 1.00 53.14 C ATOM 1614 O PHE A 103 9.767 0.400 -8.550 1.00 53.03 O ATOM 1615 CB PHE A 103 9.211 -0.075 -5.723 1.00 45.12 C ATOM 1616 CG PHE A 103 8.550 -0.566 -4.447 1.00 65.32 C ATOM 1617 CD1 PHE A 103 7.878 0.319 -3.582 1.00 21.45 C ATOM 1618 CD2 PHE A 103 8.678 -1.919 -4.090 1.00 62.40 C ATOM 1619 CE1 PHE A 103 7.390 -0.138 -2.345 1.00 3.12 C ATOM 1620 CE2 PHE A 103 8.205 -2.374 -2.848 1.00 2.33 C ATOM 1621 CZ PHE A 103 7.564 -1.483 -1.973 1.00 54.30 C ATOM 0 H PHE A 103 7.467 -0.695 -7.718 1.00 11.32 H new ATOM 0 HA PHE A 103 8.063 1.711 -6.099 1.00 61.10 H new ATOM 0 HB2 PHE A 103 9.531 -0.946 -6.295 1.00 45.12 H new ATOM 0 HB3 PHE A 103 10.112 0.474 -5.448 1.00 45.12 H new ATOM 0 HD1 PHE A 103 7.737 1.351 -3.869 1.00 21.45 H new ATOM 0 HD2 PHE A 103 9.143 -2.613 -4.774 1.00 62.40 H new ATOM 0 HE1 PHE A 103 6.881 0.544 -1.680 1.00 3.12 H new ATOM 0 HE2 PHE A 103 8.334 -3.409 -2.567 1.00 2.33 H new ATOM 0 HZ PHE A 103 7.205 -1.830 -1.015 1.00 54.30 H new ATOM 1631 N GLU A 104 9.249 2.553 -8.128 1.00 50.31 N ATOM 1632 CA GLU A 104 10.037 3.152 -9.199 1.00 53.44 C ATOM 1633 C GLU A 104 11.222 3.880 -8.568 1.00 62.52 C ATOM 1634 O GLU A 104 11.046 4.841 -7.817 1.00 11.14 O ATOM 1635 CB GLU A 104 9.172 4.118 -10.030 1.00 63.40 C ATOM 1636 CG GLU A 104 8.265 3.369 -11.016 1.00 34.15 C ATOM 1637 CD GLU A 104 7.288 4.298 -11.748 1.00 33.51 C ATOM 1638 OE1 GLU A 104 7.654 5.396 -12.226 1.00 4.42 O ATOM 1639 OE2 GLU A 104 6.095 3.941 -11.915 1.00 52.11 O ATOM 0 H GLU A 104 8.735 3.243 -7.581 1.00 50.31 H new ATOM 0 HA GLU A 104 10.400 2.379 -9.877 1.00 53.44 H new ATOM 0 HB2 GLU A 104 8.560 4.724 -9.362 1.00 63.40 H new ATOM 0 HB3 GLU A 104 9.818 4.803 -10.579 1.00 63.40 H new ATOM 0 HG2 GLU A 104 8.883 2.849 -11.748 1.00 34.15 H new ATOM 0 HG3 GLU A 104 7.701 2.608 -10.477 1.00 34.15 H new ATOM 1646 N LEU A 105 12.437 3.407 -8.829 1.00 63.22 N ATOM 1647 CA LEU A 105 13.674 4.072 -8.445 1.00 41.30 C ATOM 1648 C LEU A 105 13.964 5.159 -9.475 1.00 11.43 C ATOM 1649 O LEU A 105 14.304 4.873 -10.623 1.00 71.42 O ATOM 1650 CB LEU A 105 14.820 3.058 -8.388 1.00 74.32 C ATOM 1651 CG LEU A 105 16.180 3.679 -8.049 1.00 11.35 C ATOM 1652 CD1 LEU A 105 16.240 4.083 -6.587 1.00 22.22 C ATOM 1653 CD2 LEU A 105 17.315 2.719 -8.368 1.00 25.43 C ATOM 0 H LEU A 105 12.590 2.529 -9.325 1.00 63.22 H new ATOM 0 HA LEU A 105 13.576 4.518 -7.455 1.00 41.30 H new ATOM 0 HB2 LEU A 105 14.583 2.297 -7.644 1.00 74.32 H new ATOM 0 HB3 LEU A 105 14.892 2.551 -9.350 1.00 74.32 H new ATOM 0 HG LEU A 105 16.297 4.571 -8.665 1.00 11.35 H new ATOM 0 HD11 LEU A 105 17.214 4.521 -6.370 1.00 22.22 H new ATOM 0 HD12 LEU A 105 15.459 4.814 -6.379 1.00 22.22 H new ATOM 0 HD13 LEU A 105 16.090 3.204 -5.960 1.00 22.22 H new ATOM 0 HD21 LEU A 105 18.268 3.186 -8.118 1.00 25.43 H new ATOM 0 HD22 LEU A 105 17.194 1.806 -7.785 1.00 25.43 H new ATOM 0 HD23 LEU A 105 17.298 2.476 -9.430 1.00 25.43 H new ATOM 1665 N THR A 106 13.841 6.421 -9.084 1.00 70.30 N ATOM 1666 CA THR A 106 13.959 7.576 -9.962 1.00 10.13 C ATOM 1667 C THR A 106 14.898 8.581 -9.287 1.00 11.31 C ATOM 1668 O THR A 106 14.731 8.848 -8.099 1.00 43.22 O ATOM 1669 CB THR A 106 12.541 8.135 -10.172 1.00 12.14 C ATOM 1670 OG1 THR A 106 11.624 7.105 -10.512 1.00 31.23 O ATOM 1671 CG2 THR A 106 12.489 9.164 -11.293 1.00 62.10 C ATOM 0 H THR A 106 13.650 6.676 -8.115 1.00 70.30 H new ATOM 0 HA THR A 106 14.378 7.333 -10.938 1.00 10.13 H new ATOM 0 HB THR A 106 12.268 8.601 -9.225 1.00 12.14 H new ATOM 0 HG1 THR A 106 10.732 7.490 -10.638 1.00 31.23 H new ATOM 0 HG21 THR A 106 11.468 9.530 -11.404 1.00 62.10 H new ATOM 0 HG22 THR A 106 13.149 9.997 -11.053 1.00 62.10 H new ATOM 0 HG23 THR A 106 12.812 8.702 -12.226 1.00 62.10 H new ATOM 1679 N ASP A 107 15.900 9.110 -10.004 1.00 3.22 N ATOM 1680 CA ASP A 107 16.921 10.034 -9.468 1.00 43.30 C ATOM 1681 C ASP A 107 17.755 9.362 -8.357 1.00 50.22 C ATOM 1682 O ASP A 107 18.443 10.030 -7.586 1.00 72.54 O ATOM 1683 CB ASP A 107 16.251 11.373 -9.066 1.00 61.23 C ATOM 1684 CG ASP A 107 17.176 12.558 -8.734 1.00 30.45 C ATOM 1685 OD1 ASP A 107 17.502 13.371 -9.633 1.00 30.42 O ATOM 1686 OD2 ASP A 107 17.398 12.850 -7.535 1.00 12.11 O ATOM 0 H ASP A 107 16.030 8.905 -10.995 1.00 3.22 H new ATOM 0 HA ASP A 107 17.650 10.281 -10.240 1.00 43.30 H new ATOM 0 HB2 ASP A 107 15.593 11.678 -9.880 1.00 61.23 H new ATOM 0 HB3 ASP A 107 15.619 11.186 -8.198 1.00 61.23 H new ATOM 1691 N GLY A 108 17.725 8.025 -8.262 1.00 45.23 N ATOM 1692 CA GLY A 108 18.365 7.267 -7.197 1.00 13.04 C ATOM 1693 C GLY A 108 17.501 7.176 -5.939 1.00 71.20 C ATOM 1694 O GLY A 108 17.953 6.627 -4.936 1.00 33.53 O ATOM 0 H GLY A 108 17.243 7.436 -8.941 1.00 45.23 H new ATOM 0 HA2 GLY A 108 18.587 6.261 -7.554 1.00 13.04 H new ATOM 0 HA3 GLY A 108 19.318 7.733 -6.946 1.00 13.04 H new ATOM 1698 N LYS A 109 16.261 7.676 -5.960 1.00 23.12 N ATOM 1699 CA LYS A 109 15.335 7.623 -4.835 1.00 71.32 C ATOM 1700 C LYS A 109 14.193 6.689 -5.201 1.00 14.13 C ATOM 1701 O LYS A 109 13.574 6.843 -6.251 1.00 61.10 O ATOM 1702 CB LYS A 109 14.788 9.022 -4.530 1.00 23.52 C ATOM 1703 CG LYS A 109 15.849 10.113 -4.340 1.00 54.42 C ATOM 1704 CD LYS A 109 16.860 9.838 -3.224 1.00 30.34 C ATOM 1705 CE LYS A 109 17.818 11.030 -3.168 1.00 21.43 C ATOM 1706 NZ LYS A 109 18.682 11.016 -1.975 1.00 25.31 N ATOM 0 H LYS A 109 15.869 8.138 -6.780 1.00 23.12 H new ATOM 0 HA LYS A 109 15.851 7.258 -3.947 1.00 71.32 H new ATOM 0 HB2 LYS A 109 14.125 9.320 -5.342 1.00 23.52 H new ATOM 0 HB3 LYS A 109 14.180 8.968 -3.627 1.00 23.52 H new ATOM 0 HG2 LYS A 109 16.390 10.241 -5.278 1.00 54.42 H new ATOM 0 HG3 LYS A 109 15.346 11.057 -4.131 1.00 54.42 H new ATOM 0 HD2 LYS A 109 16.351 9.710 -2.269 1.00 30.34 H new ATOM 0 HD3 LYS A 109 17.407 8.916 -3.420 1.00 30.34 H new ATOM 0 HE2 LYS A 109 18.442 11.031 -4.062 1.00 21.43 H new ATOM 0 HE3 LYS A 109 17.241 11.954 -3.181 1.00 21.43 H new ATOM 0 HZ1 LYS A 109 19.309 11.846 -1.991 1.00 25.31 H new ATOM 0 HZ2 LYS A 109 18.092 11.044 -1.119 1.00 25.31 H new ATOM 0 HZ3 LYS A 109 19.256 10.149 -1.972 1.00 25.31 H new ATOM 1720 N TRP A 110 13.936 5.689 -4.367 1.00 25.14 N ATOM 1721 CA TRP A 110 12.740 4.871 -4.488 1.00 62.40 C ATOM 1722 C TRP A 110 11.518 5.774 -4.297 1.00 52.01 C ATOM 1723 O TRP A 110 11.558 6.672 -3.453 1.00 22.12 O ATOM 1724 CB TRP A 110 12.844 3.753 -3.446 1.00 51.32 C ATOM 1725 CG TRP A 110 13.844 2.701 -3.810 1.00 43.22 C ATOM 1726 CD1 TRP A 110 15.093 2.586 -3.312 1.00 10.15 C ATOM 1727 CD2 TRP A 110 13.730 1.667 -4.833 1.00 50.32 C ATOM 1728 NE1 TRP A 110 15.772 1.596 -3.987 1.00 4.32 N ATOM 1729 CE2 TRP A 110 14.965 0.959 -4.908 1.00 4.14 C ATOM 1730 CE3 TRP A 110 12.724 1.300 -5.750 1.00 34.35 C ATOM 1731 CZ2 TRP A 110 15.174 -0.080 -5.830 1.00 10.44 C ATOM 1732 CZ3 TRP A 110 12.907 0.239 -6.655 1.00 2.22 C ATOM 1733 CH2 TRP A 110 14.126 -0.457 -6.689 1.00 41.04 C ATOM 0 H TRP A 110 14.547 5.425 -3.594 1.00 25.14 H new ATOM 0 HA TRP A 110 12.638 4.405 -5.468 1.00 62.40 H new ATOM 0 HB2 TRP A 110 13.116 4.186 -2.483 1.00 51.32 H new ATOM 0 HB3 TRP A 110 11.866 3.288 -3.322 1.00 51.32 H new ATOM 0 HD1 TRP A 110 15.499 3.180 -2.506 1.00 10.15 H new ATOM 0 HE1 TRP A 110 16.752 1.362 -3.826 1.00 4.32 H new ATOM 0 HE3 TRP A 110 11.792 1.846 -5.758 1.00 34.35 H new ATOM 0 HZ2 TRP A 110 16.128 -0.583 -5.879 1.00 10.44 H new ATOM 0 HZ3 TRP A 110 12.108 -0.041 -7.325 1.00 2.22 H new ATOM 0 HH2 TRP A 110 14.259 -1.281 -7.374 1.00 41.04 H new ATOM 1744 N TYR A 111 10.451 5.551 -5.062 1.00 22.44 N ATOM 1745 CA TYR A 111 9.222 6.326 -5.081 1.00 1.23 C ATOM 1746 C TYR A 111 8.064 5.374 -5.441 1.00 65.52 C ATOM 1747 O TYR A 111 8.079 4.757 -6.506 1.00 50.21 O ATOM 1748 CB TYR A 111 9.397 7.476 -6.104 1.00 34.52 C ATOM 1749 CG TYR A 111 10.005 8.757 -5.539 1.00 3.24 C ATOM 1750 CD1 TYR A 111 9.345 9.459 -4.511 1.00 12.21 C ATOM 1751 CD2 TYR A 111 11.210 9.278 -6.055 1.00 11.15 C ATOM 1752 CE1 TYR A 111 9.872 10.647 -3.987 1.00 61.32 C ATOM 1753 CE2 TYR A 111 11.735 10.486 -5.552 1.00 5.45 C ATOM 1754 CZ TYR A 111 11.070 11.170 -4.508 1.00 41.43 C ATOM 1755 OH TYR A 111 11.567 12.310 -3.958 1.00 51.10 O ATOM 0 H TYR A 111 10.425 4.776 -5.724 1.00 22.44 H new ATOM 0 HA TYR A 111 8.994 6.774 -4.114 1.00 1.23 H new ATOM 0 HB2 TYR A 111 10.027 7.123 -6.921 1.00 34.52 H new ATOM 0 HB3 TYR A 111 8.423 7.712 -6.532 1.00 34.52 H new ATOM 0 HD1 TYR A 111 8.415 9.074 -4.119 1.00 12.21 H new ATOM 0 HD2 TYR A 111 11.733 8.749 -6.839 1.00 11.15 H new ATOM 0 HE1 TYR A 111 9.360 11.160 -3.186 1.00 61.32 H new ATOM 0 HE2 TYR A 111 12.647 10.890 -5.965 1.00 5.45 H new ATOM 0 HH TYR A 111 12.399 12.558 -4.414 1.00 51.10 H new ATOM 1765 N VAL A 112 7.052 5.217 -4.568 1.00 45.14 N ATOM 1766 CA VAL A 112 5.853 4.430 -4.868 1.00 34.55 C ATOM 1767 C VAL A 112 5.019 5.131 -5.947 1.00 30.24 C ATOM 1768 O VAL A 112 4.802 6.341 -5.825 1.00 74.31 O ATOM 1769 CB VAL A 112 5.000 4.329 -3.592 1.00 22.31 C ATOM 1770 CG1 VAL A 112 3.713 3.540 -3.805 1.00 51.34 C ATOM 1771 CG2 VAL A 112 5.755 3.736 -2.395 1.00 62.44 C ATOM 0 H VAL A 112 7.047 5.634 -3.637 1.00 45.14 H new ATOM 0 HA VAL A 112 6.151 3.442 -5.220 1.00 34.55 H new ATOM 0 HB VAL A 112 4.750 5.364 -3.358 1.00 22.31 H new ATOM 0 HG11 VAL A 112 3.151 3.501 -2.872 1.00 51.34 H new ATOM 0 HG12 VAL A 112 3.110 4.027 -4.571 1.00 51.34 H new ATOM 0 HG13 VAL A 112 3.956 2.527 -4.125 1.00 51.34 H new ATOM 0 HG21 VAL A 112 5.092 3.695 -1.531 1.00 62.44 H new ATOM 0 HG22 VAL A 112 6.094 2.729 -2.641 1.00 62.44 H new ATOM 0 HG23 VAL A 112 6.616 4.362 -2.162 1.00 62.44 H new ATOM 1781 N THR A 113 4.472 4.416 -6.932 1.00 43.04 N ATOM 1782 CA THR A 113 3.664 5.053 -7.976 1.00 53.34 C ATOM 1783 C THR A 113 2.293 4.393 -8.194 1.00 52.11 C ATOM 1784 O THR A 113 1.424 5.009 -8.823 1.00 34.13 O ATOM 1785 CB THR A 113 4.507 5.129 -9.257 1.00 71.41 C ATOM 1786 OG1 THR A 113 4.851 3.809 -9.637 1.00 30.34 O ATOM 1787 CG2 THR A 113 5.785 5.952 -9.053 1.00 64.40 C ATOM 0 H THR A 113 4.572 3.406 -7.030 1.00 43.04 H new ATOM 0 HA THR A 113 3.406 6.061 -7.650 1.00 53.34 H new ATOM 0 HB THR A 113 3.922 5.623 -10.033 1.00 71.41 H new ATOM 0 HG1 THR A 113 5.022 3.780 -10.602 1.00 30.34 H new ATOM 0 HG21 THR A 113 6.352 5.980 -9.984 1.00 64.40 H new ATOM 0 HG22 THR A 113 5.521 6.967 -8.758 1.00 64.40 H new ATOM 0 HG23 THR A 113 6.392 5.494 -8.272 1.00 64.40 H new ATOM 1795 N ASP A 114 2.050 3.201 -7.636 1.00 43.54 N ATOM 1796 CA ASP A 114 0.807 2.446 -7.802 1.00 65.32 C ATOM 1797 C ASP A 114 0.537 1.618 -6.542 1.00 53.55 C ATOM 1798 O ASP A 114 1.477 1.319 -5.797 1.00 34.03 O ATOM 1799 CB ASP A 114 0.936 1.546 -9.029 1.00 11.14 C ATOM 1800 CG ASP A 114 -0.404 0.930 -9.376 1.00 61.31 C ATOM 1801 OD1 ASP A 114 -1.141 1.570 -10.150 1.00 45.55 O ATOM 1802 OD2 ASP A 114 -0.681 -0.186 -8.894 1.00 74.34 O ATOM 0 H ASP A 114 2.730 2.725 -7.043 1.00 43.54 H new ATOM 0 HA ASP A 114 -0.032 3.126 -7.949 1.00 65.32 H new ATOM 0 HB2 ASP A 114 1.307 2.125 -9.875 1.00 11.14 H new ATOM 0 HB3 ASP A 114 1.666 0.760 -8.836 1.00 11.14 H new ATOM 1807 N CYS A 115 -0.732 1.310 -6.261 1.00 44.31 N ATOM 1808 CA CYS A 115 -1.213 0.736 -5.013 1.00 42.34 C ATOM 1809 C CYS A 115 -2.536 0.022 -5.283 1.00 24.13 C ATOM 1810 O CYS A 115 -3.330 0.488 -6.098 1.00 31.00 O ATOM 1811 CB CYS A 115 -1.411 1.905 -4.035 1.00 43.22 C ATOM 1812 SG CYS A 115 -2.487 1.573 -2.606 1.00 21.21 S ATOM 0 H CYS A 115 -1.483 1.464 -6.933 1.00 44.31 H new ATOM 0 HA CYS A 115 -0.514 0.012 -4.594 1.00 42.34 H new ATOM 0 HB2 CYS A 115 -0.433 2.213 -3.665 1.00 43.22 H new ATOM 0 HB3 CYS A 115 -1.823 2.749 -4.587 1.00 43.22 H new ATOM 0 HG CYS A 115 -3.605 2.223 -2.744 1.00 21.21 H new ATOM 1818 N TYR A 116 -2.784 -1.040 -4.519 1.00 62.31 N ATOM 1819 CA TYR A 116 -4.052 -1.733 -4.368 1.00 40.54 C ATOM 1820 C TYR A 116 -4.105 -2.119 -2.892 1.00 15.53 C ATOM 1821 O TYR A 116 -3.169 -2.762 -2.401 1.00 64.43 O ATOM 1822 CB TYR A 116 -4.046 -2.954 -5.296 1.00 15.42 C ATOM 1823 CG TYR A 116 -5.282 -3.835 -5.299 1.00 41.21 C ATOM 1824 CD1 TYR A 116 -6.513 -3.338 -5.770 1.00 14.53 C ATOM 1825 CD2 TYR A 116 -5.165 -5.200 -4.970 1.00 33.40 C ATOM 1826 CE1 TYR A 116 -7.611 -4.204 -5.935 1.00 34.40 C ATOM 1827 CE2 TYR A 116 -6.252 -6.072 -5.154 1.00 41.22 C ATOM 1828 CZ TYR A 116 -7.477 -5.582 -5.648 1.00 2.53 C ATOM 1829 OH TYR A 116 -8.495 -6.441 -5.918 1.00 24.10 O ATOM 0 H TYR A 116 -2.050 -1.465 -3.952 1.00 62.31 H new ATOM 0 HA TYR A 116 -4.926 -1.139 -4.636 1.00 40.54 H new ATOM 0 HB2 TYR A 116 -3.881 -2.602 -6.314 1.00 15.42 H new ATOM 0 HB3 TYR A 116 -3.190 -3.575 -5.030 1.00 15.42 H new ATOM 0 HD1 TYR A 116 -6.615 -2.289 -6.005 1.00 14.53 H new ATOM 0 HD2 TYR A 116 -4.234 -5.579 -4.574 1.00 33.40 H new ATOM 0 HE1 TYR A 116 -8.557 -3.815 -6.281 1.00 34.40 H new ATOM 0 HE2 TYR A 116 -6.148 -7.120 -4.916 1.00 41.22 H new ATOM 0 HH TYR A 116 -8.234 -7.349 -5.660 1.00 24.10 H new ATOM 1839 N ASN A 117 -5.109 -1.647 -2.152 1.00 75.33 N ATOM 1840 CA ASN A 117 -5.327 -1.948 -0.737 1.00 71.33 C ATOM 1841 C ASN A 117 -6.797 -2.321 -0.544 1.00 44.12 C ATOM 1842 O ASN A 117 -7.688 -1.671 -1.105 1.00 34.32 O ATOM 1843 CB ASN A 117 -4.941 -0.750 0.159 1.00 13.32 C ATOM 1844 CG ASN A 117 -4.868 -1.146 1.634 1.00 14.21 C ATOM 1845 OD1 ASN A 117 -5.794 -1.729 2.174 1.00 74.01 O ATOM 1846 ND2 ASN A 117 -3.800 -0.841 2.349 1.00 51.15 N ATOM 0 H ASN A 117 -5.818 -1.022 -2.536 1.00 75.33 H new ATOM 0 HA ASN A 117 -4.690 -2.782 -0.442 1.00 71.33 H new ATOM 0 HB2 ASN A 117 -3.977 -0.354 -0.159 1.00 13.32 H new ATOM 0 HB3 ASN A 117 -5.672 0.049 0.033 1.00 13.32 H new ATOM 0 HD21 ASN A 117 -3.758 -1.093 3.337 1.00 51.15 H new ATOM 0 HD22 ASN A 117 -3.017 -0.354 1.914 1.00 51.15 H new ATOM 1853 N ASP A 118 -7.047 -3.349 0.263 1.00 0.32 N ATOM 1854 CA ASP A 118 -8.377 -3.853 0.585 1.00 64.42 C ATOM 1855 C ASP A 118 -9.297 -2.795 1.211 1.00 44.34 C ATOM 1856 O ASP A 118 -10.514 -2.880 1.050 1.00 63.03 O ATOM 1857 CB ASP A 118 -8.261 -5.071 1.505 1.00 34.30 C ATOM 1858 CG ASP A 118 -9.564 -5.866 1.523 1.00 52.14 C ATOM 1859 OD1 ASP A 118 -9.952 -6.379 0.445 1.00 1.34 O ATOM 1860 OD2 ASP A 118 -10.162 -6.025 2.608 1.00 61.01 O ATOM 0 H ASP A 118 -6.303 -3.871 0.726 1.00 0.32 H new ATOM 0 HA ASP A 118 -8.842 -4.139 -0.358 1.00 64.42 H new ATOM 0 HB2 ASP A 118 -7.445 -5.710 1.168 1.00 34.30 H new ATOM 0 HB3 ASP A 118 -8.015 -4.746 2.516 1.00 34.30 H new ATOM 1865 N TRP A 119 -8.731 -1.741 1.819 1.00 12.20 N ATOM 1866 CA TRP A 119 -9.452 -0.574 2.341 1.00 60.04 C ATOM 1867 C TRP A 119 -10.466 0.017 1.352 1.00 22.44 C ATOM 1868 O TRP A 119 -11.449 0.613 1.777 1.00 64.23 O ATOM 1869 CB TRP A 119 -8.448 0.532 2.726 1.00 54.32 C ATOM 1870 CG TRP A 119 -7.946 0.542 4.138 1.00 61.24 C ATOM 1871 CD1 TRP A 119 -6.662 0.395 4.532 1.00 35.42 C ATOM 1872 CD2 TRP A 119 -8.710 0.754 5.361 1.00 11.42 C ATOM 1873 NE1 TRP A 119 -6.580 0.487 5.906 1.00 31.13 N ATOM 1874 CE2 TRP A 119 -7.815 0.724 6.473 1.00 12.13 C ATOM 1875 CE3 TRP A 119 -10.079 0.955 5.642 1.00 64.13 C ATOM 1876 CZ2 TRP A 119 -8.258 0.910 7.794 1.00 24.34 C ATOM 1877 CZ3 TRP A 119 -10.530 1.146 6.959 1.00 13.30 C ATOM 1878 CH2 TRP A 119 -9.624 1.133 8.031 1.00 43.21 C ATOM 0 H TRP A 119 -7.723 -1.677 1.965 1.00 12.20 H new ATOM 0 HA TRP A 119 -10.009 -0.929 3.208 1.00 60.04 H new ATOM 0 HB2 TRP A 119 -7.587 0.452 2.062 1.00 54.32 H new ATOM 0 HB3 TRP A 119 -8.916 1.496 2.527 1.00 54.32 H new ATOM 0 HD1 TRP A 119 -5.825 0.230 3.870 1.00 35.42 H new ATOM 0 HE1 TRP A 119 -5.714 0.392 6.437 1.00 31.13 H new ATOM 0 HE3 TRP A 119 -10.792 0.962 4.831 1.00 64.13 H new ATOM 0 HZ2 TRP A 119 -7.557 0.882 8.615 1.00 24.34 H new ATOM 0 HZ3 TRP A 119 -11.582 1.304 7.148 1.00 13.30 H new ATOM 0 HH2 TRP A 119 -9.978 1.295 9.039 1.00 43.21 H new ATOM 1889 N TYR A 120 -10.240 -0.120 0.042 1.00 11.12 N ATOM 1890 CA TYR A 120 -11.138 0.407 -0.982 1.00 15.43 C ATOM 1891 C TYR A 120 -11.430 -0.691 -2.015 1.00 13.51 C ATOM 1892 O TYR A 120 -11.413 -0.447 -3.228 1.00 24.23 O ATOM 1893 CB TYR A 120 -10.558 1.698 -1.591 1.00 1.21 C ATOM 1894 CG TYR A 120 -9.996 2.720 -0.608 1.00 22.01 C ATOM 1895 CD1 TYR A 120 -10.839 3.642 0.061 1.00 40.34 C ATOM 1896 CD2 TYR A 120 -8.608 2.727 -0.358 1.00 75.45 C ATOM 1897 CE1 TYR A 120 -10.299 4.576 0.976 1.00 2.43 C ATOM 1898 CE2 TYR A 120 -8.072 3.632 0.566 1.00 3.14 C ATOM 1899 CZ TYR A 120 -8.918 4.541 1.240 1.00 73.34 C ATOM 1900 OH TYR A 120 -8.402 5.428 2.120 1.00 60.31 O ATOM 0 H TYR A 120 -9.425 -0.602 -0.336 1.00 11.12 H new ATOM 0 HA TYR A 120 -12.095 0.691 -0.544 1.00 15.43 H new ATOM 0 HB2 TYR A 120 -9.765 1.421 -2.286 1.00 1.21 H new ATOM 0 HB3 TYR A 120 -11.341 2.181 -2.176 1.00 1.21 H new ATOM 0 HD1 TYR A 120 -11.902 3.632 -0.129 1.00 40.34 H new ATOM 0 HD2 TYR A 120 -7.961 2.036 -0.878 1.00 75.45 H new ATOM 0 HE1 TYR A 120 -10.934 5.301 1.462 1.00 2.43 H new ATOM 0 HE2 TYR A 120 -7.010 3.635 0.764 1.00 3.14 H new ATOM 0 HH TYR A 120 -7.426 5.442 2.036 1.00 60.31 H new ATOM 1910 N ASN A 121 -11.596 -1.933 -1.549 1.00 71.03 N ATOM 1911 CA ASN A 121 -11.979 -3.071 -2.387 1.00 1.33 C ATOM 1912 C ASN A 121 -13.439 -2.961 -2.851 1.00 12.42 C ATOM 1913 O ASN A 121 -14.194 -2.115 -2.376 1.00 61.05 O ATOM 1914 CB ASN A 121 -11.740 -4.400 -1.652 1.00 23.02 C ATOM 1915 CG ASN A 121 -12.875 -4.782 -0.714 1.00 55.32 C ATOM 1916 OD1 ASN A 121 -13.779 -5.499 -1.124 1.00 60.41 O ATOM 1917 ND2 ASN A 121 -12.875 -4.328 0.525 1.00 52.42 N ATOM 0 H ASN A 121 -11.466 -2.178 -0.567 1.00 71.03 H new ATOM 0 HA ASN A 121 -11.346 -3.052 -3.274 1.00 1.33 H new ATOM 0 HB2 ASN A 121 -11.602 -5.194 -2.386 1.00 23.02 H new ATOM 0 HB3 ASN A 121 -10.814 -4.330 -1.081 1.00 23.02 H new ATOM 0 HD21 ASN A 121 -13.636 -4.573 1.158 1.00 52.42 H new ATOM 0 HD22 ASN A 121 -12.114 -3.732 0.850 1.00 52.42 H new ATOM 1924 N PHE A 122 -13.850 -3.835 -3.771 1.00 23.00 N ATOM 1925 CA PHE A 122 -15.160 -3.794 -4.413 1.00 15.43 C ATOM 1926 C PHE A 122 -16.349 -3.926 -3.452 1.00 31.24 C ATOM 1927 O PHE A 122 -17.434 -3.463 -3.802 1.00 72.24 O ATOM 1928 CB PHE A 122 -15.235 -4.866 -5.518 1.00 4.32 C ATOM 1929 CG PHE A 122 -15.451 -4.319 -6.918 1.00 44.52 C ATOM 1930 CD1 PHE A 122 -14.647 -3.266 -7.402 1.00 12.42 C ATOM 1931 CD2 PHE A 122 -16.443 -4.874 -7.750 1.00 32.24 C ATOM 1932 CE1 PHE A 122 -14.864 -2.744 -8.688 1.00 64.13 C ATOM 1933 CE2 PHE A 122 -16.645 -4.366 -9.045 1.00 71.44 C ATOM 1934 CZ PHE A 122 -15.866 -3.291 -9.508 1.00 50.52 C ATOM 0 H PHE A 122 -13.267 -4.607 -4.096 1.00 23.00 H new ATOM 0 HA PHE A 122 -15.251 -2.797 -4.843 1.00 15.43 H new ATOM 0 HB2 PHE A 122 -14.312 -5.445 -5.507 1.00 4.32 H new ATOM 0 HB3 PHE A 122 -16.046 -5.555 -5.283 1.00 4.32 H new ATOM 0 HD1 PHE A 122 -13.862 -2.860 -6.782 1.00 12.42 H new ATOM 0 HD2 PHE A 122 -17.050 -5.692 -7.392 1.00 32.24 H new ATOM 0 HE1 PHE A 122 -14.261 -1.923 -9.046 1.00 64.13 H new ATOM 0 HE2 PHE A 122 -17.399 -4.801 -9.684 1.00 71.44 H new ATOM 0 HZ PHE A 122 -16.038 -2.885 -10.494 1.00 50.52 H new ATOM 1944 N ASP A 123 -16.197 -4.494 -2.250 1.00 22.12 N ATOM 1945 CA ASP A 123 -17.257 -4.612 -1.228 1.00 63.43 C ATOM 1946 C ASP A 123 -17.646 -3.264 -0.593 1.00 2.42 C ATOM 1947 O ASP A 123 -18.406 -3.219 0.375 1.00 64.14 O ATOM 1948 CB ASP A 123 -16.857 -5.627 -0.137 1.00 55.35 C ATOM 1949 CG ASP A 123 -18.059 -6.082 0.707 1.00 64.44 C ATOM 1950 OD1 ASP A 123 -19.146 -6.298 0.122 1.00 73.24 O ATOM 1951 OD2 ASP A 123 -17.922 -6.303 1.939 1.00 1.43 O ATOM 0 H ASP A 123 -15.310 -4.897 -1.948 1.00 22.12 H new ATOM 0 HA ASP A 123 -18.142 -4.975 -1.750 1.00 63.43 H new ATOM 0 HB2 ASP A 123 -16.395 -6.496 -0.605 1.00 55.35 H new ATOM 0 HB3 ASP A 123 -16.107 -5.179 0.515 1.00 55.35 H new ATOM 1956 N LEU A 124 -17.105 -2.154 -1.108 1.00 52.12 N ATOM 1957 CA LEU A 124 -17.137 -0.838 -0.496 1.00 40.52 C ATOM 1958 C LEU A 124 -18.039 0.122 -1.295 1.00 15.21 C ATOM 1959 O LEU A 124 -17.545 0.812 -2.190 1.00 71.05 O ATOM 1960 CB LEU A 124 -15.692 -0.325 -0.315 1.00 12.10 C ATOM 1961 CG LEU A 124 -15.535 0.683 0.830 1.00 55.41 C ATOM 1962 CD1 LEU A 124 -16.643 1.741 0.844 1.00 1.24 C ATOM 1963 CD2 LEU A 124 -15.477 -0.073 2.162 1.00 54.55 C ATOM 0 H LEU A 124 -16.614 -2.158 -2.002 1.00 52.12 H new ATOM 0 HA LEU A 124 -17.586 -0.897 0.496 1.00 40.52 H new ATOM 0 HB2 LEU A 124 -15.034 -1.175 -0.132 1.00 12.10 H new ATOM 0 HB3 LEU A 124 -15.362 0.139 -1.244 1.00 12.10 H new ATOM 0 HG LEU A 124 -14.603 1.227 0.674 1.00 55.41 H new ATOM 0 HD11 LEU A 124 -16.480 2.427 1.675 1.00 1.24 H new ATOM 0 HD12 LEU A 124 -16.627 2.297 -0.094 1.00 1.24 H new ATOM 0 HD13 LEU A 124 -17.611 1.253 0.960 1.00 1.24 H new ATOM 0 HD21 LEU A 124 -15.365 0.639 2.980 1.00 54.55 H new ATOM 0 HD22 LEU A 124 -16.397 -0.641 2.298 1.00 54.55 H new ATOM 0 HD23 LEU A 124 -14.627 -0.755 2.156 1.00 54.55 H new ATOM 1975 N PRO A 125 -19.361 0.166 -1.045 1.00 43.25 N ATOM 1976 CA PRO A 125 -20.238 1.090 -1.748 1.00 61.22 C ATOM 1977 C PRO A 125 -19.937 2.541 -1.339 1.00 41.42 C ATOM 1978 O PRO A 125 -19.526 2.847 -0.215 1.00 55.51 O ATOM 1979 CB PRO A 125 -21.650 0.646 -1.375 1.00 11.43 C ATOM 1980 CG PRO A 125 -21.467 0.130 0.053 1.00 20.20 C ATOM 1981 CD PRO A 125 -20.099 -0.545 -0.013 1.00 1.53 C ATOM 0 HA PRO A 125 -20.100 1.070 -2.829 1.00 61.22 H new ATOM 0 HB2 PRO A 125 -22.360 1.471 -1.421 1.00 11.43 H new ATOM 0 HB3 PRO A 125 -22.021 -0.131 -2.043 1.00 11.43 H new ATOM 0 HG2 PRO A 125 -21.485 0.940 0.783 1.00 20.20 H new ATOM 0 HG3 PRO A 125 -22.252 -0.571 0.335 1.00 20.20 H new ATOM 0 HD2 PRO A 125 -19.586 -0.486 0.947 1.00 1.53 H new ATOM 0 HD3 PRO A 125 -20.195 -1.603 -0.258 1.00 1.53 H new ATOM 1989 N ILE A 126 -20.167 3.466 -2.269 1.00 5.41 N ATOM 1990 CA ILE A 126 -19.778 4.872 -2.150 1.00 54.22 C ATOM 1991 C ILE A 126 -20.574 5.576 -1.042 1.00 24.43 C ATOM 1992 O ILE A 126 -20.106 6.579 -0.491 1.00 5.12 O ATOM 1993 CB ILE A 126 -19.978 5.548 -3.522 1.00 54.23 C ATOM 1994 CG1 ILE A 126 -19.127 4.853 -4.621 1.00 23.24 C ATOM 1995 CG2 ILE A 126 -19.630 7.039 -3.538 1.00 42.11 C ATOM 1996 CD1 ILE A 126 -20.013 4.341 -5.749 1.00 43.21 C ATOM 0 H ILE A 126 -20.640 3.255 -3.148 1.00 5.41 H new ATOM 0 HA ILE A 126 -18.729 4.945 -1.864 1.00 54.22 H new ATOM 0 HB ILE A 126 -21.044 5.444 -3.724 1.00 54.23 H new ATOM 0 HG12 ILE A 126 -18.394 5.556 -5.018 1.00 23.24 H new ATOM 0 HG13 ILE A 126 -18.570 4.024 -4.185 1.00 23.24 H new ATOM 0 HG21 ILE A 126 -19.797 7.441 -4.537 1.00 42.11 H new ATOM 0 HG22 ILE A 126 -20.262 7.568 -2.824 1.00 42.11 H new ATOM 0 HG23 ILE A 126 -18.583 7.171 -3.264 1.00 42.11 H new ATOM 0 HD11 ILE A 126 -19.395 3.858 -6.506 1.00 43.21 H new ATOM 0 HD12 ILE A 126 -20.728 3.621 -5.352 1.00 43.21 H new ATOM 0 HD13 ILE A 126 -20.550 5.177 -6.197 1.00 43.21 H new ATOM 2008 N ASN A 127 -21.755 5.063 -0.690 1.00 11.41 N ATOM 2009 CA ASN A 127 -22.574 5.633 0.373 1.00 45.23 C ATOM 2010 C ASN A 127 -21.958 5.437 1.764 1.00 75.42 C ATOM 2011 O ASN A 127 -22.344 6.150 2.690 1.00 74.44 O ATOM 2012 CB ASN A 127 -24.003 5.065 0.344 1.00 32.43 C ATOM 2013 CG ASN A 127 -24.075 3.604 0.783 1.00 44.22 C ATOM 2014 OD1 ASN A 127 -23.242 2.815 0.363 1.00 73.02 O ATOM 2015 ND2 ASN A 127 -25.046 3.207 1.585 1.00 13.20 N ATOM 0 H ASN A 127 -22.167 4.243 -1.135 1.00 11.41 H new ATOM 0 HA ASN A 127 -22.615 6.705 0.181 1.00 45.23 H new ATOM 0 HB2 ASN A 127 -24.640 5.665 0.994 1.00 32.43 H new ATOM 0 HB3 ASN A 127 -24.403 5.155 -0.666 1.00 32.43 H new ATOM 0 HD21 ASN A 127 -25.109 2.228 1.863 1.00 13.20 H new ATOM 0 HD22 ASN A 127 -25.733 3.880 1.926 1.00 13.20 H new ATOM 2022 N GLU A 128 -21.011 4.510 1.924 1.00 31.21 N ATOM 2023 CA GLU A 128 -20.302 4.258 3.185 1.00 55.53 C ATOM 2024 C GLU A 128 -18.829 4.674 3.115 1.00 41.54 C ATOM 2025 O GLU A 128 -18.189 4.837 4.152 1.00 2.42 O ATOM 2026 CB GLU A 128 -20.436 2.778 3.576 1.00 15.54 C ATOM 2027 CG GLU A 128 -21.884 2.318 3.815 1.00 20.10 C ATOM 2028 CD GLU A 128 -22.658 3.170 4.826 1.00 15.14 C ATOM 2029 OE1 GLU A 128 -22.066 3.765 5.752 1.00 33.24 O ATOM 2030 OE2 GLU A 128 -23.907 3.246 4.751 1.00 23.03 O ATOM 0 H GLU A 128 -20.708 3.899 1.165 1.00 31.21 H new ATOM 0 HA GLU A 128 -20.766 4.874 3.955 1.00 55.53 H new ATOM 0 HB2 GLU A 128 -19.997 2.165 2.789 1.00 15.54 H new ATOM 0 HB3 GLU A 128 -19.856 2.599 4.481 1.00 15.54 H new ATOM 0 HG2 GLU A 128 -22.418 2.329 2.865 1.00 20.10 H new ATOM 0 HG3 GLU A 128 -21.872 1.285 4.162 1.00 20.10 H new ATOM 2037 N LEU A 129 -18.310 4.948 1.912 1.00 75.11 N ATOM 2038 CA LEU A 129 -16.918 5.329 1.655 1.00 2.52 C ATOM 2039 C LEU A 129 -16.467 6.503 2.511 1.00 13.12 C ATOM 2040 O LEU A 129 -15.300 6.644 2.874 1.00 61.45 O ATOM 2041 CB LEU A 129 -16.792 5.672 0.168 1.00 5.40 C ATOM 2042 CG LEU A 129 -15.392 6.129 -0.275 1.00 64.43 C ATOM 2043 CD1 LEU A 129 -14.299 5.115 0.078 1.00 24.13 C ATOM 2044 CD2 LEU A 129 -15.405 6.365 -1.788 1.00 53.33 C ATOM 0 H LEU A 129 -18.870 4.909 1.060 1.00 75.11 H new ATOM 0 HA LEU A 129 -16.270 4.494 1.920 1.00 2.52 H new ATOM 0 HB2 LEU A 129 -17.074 4.797 -0.417 1.00 5.40 H new ATOM 0 HB3 LEU A 129 -17.507 6.459 -0.070 1.00 5.40 H new ATOM 0 HG LEU A 129 -15.157 7.048 0.261 1.00 64.43 H new ATOM 0 HD11 LEU A 129 -13.332 5.490 -0.258 1.00 24.13 H new ATOM 0 HD12 LEU A 129 -14.275 4.967 1.158 1.00 24.13 H new ATOM 0 HD13 LEU A 129 -14.511 4.166 -0.414 1.00 24.13 H new ATOM 0 HD21 LEU A 129 -14.417 6.690 -2.114 1.00 53.33 H new ATOM 0 HD22 LEU A 129 -15.669 5.439 -2.298 1.00 53.33 H new ATOM 0 HD23 LEU A 129 -16.138 7.135 -2.030 1.00 53.33 H new ATOM 2056 N GLU A 130 -17.409 7.376 2.819 1.00 21.20 N ATOM 2057 CA GLU A 130 -17.160 8.569 3.592 1.00 40.21 C ATOM 2058 C GLU A 130 -16.689 8.244 5.014 1.00 51.53 C ATOM 2059 O GLU A 130 -15.891 9.009 5.557 1.00 24.11 O ATOM 2060 CB GLU A 130 -18.404 9.462 3.532 1.00 41.52 C ATOM 2061 CG GLU A 130 -18.580 9.956 2.087 1.00 22.22 C ATOM 2062 CD GLU A 130 -19.700 10.973 1.923 1.00 2.43 C ATOM 2063 OE1 GLU A 130 -19.531 12.131 2.374 1.00 44.32 O ATOM 2064 OE2 GLU A 130 -20.684 10.657 1.217 1.00 33.41 O ATOM 0 H GLU A 130 -18.382 7.270 2.532 1.00 21.20 H new ATOM 0 HA GLU A 130 -16.330 9.128 3.159 1.00 40.21 H new ATOM 0 HB2 GLU A 130 -19.285 8.906 3.852 1.00 41.52 H new ATOM 0 HB3 GLU A 130 -18.296 10.308 4.211 1.00 41.52 H new ATOM 0 HG2 GLU A 130 -17.644 10.400 1.747 1.00 22.22 H new ATOM 0 HG3 GLU A 130 -18.780 9.101 1.441 1.00 22.22 H new ATOM 2071 N GLU A 131 -17.091 7.109 5.586 1.00 55.21 N ATOM 2072 CA GLU A 131 -16.562 6.617 6.853 1.00 1.54 C ATOM 2073 C GLU A 131 -15.332 5.741 6.619 1.00 35.33 C ATOM 2074 O GLU A 131 -14.415 5.762 7.428 1.00 64.02 O ATOM 2075 CB GLU A 131 -17.645 5.793 7.571 1.00 72.02 C ATOM 2076 CG GLU A 131 -17.273 5.461 9.029 1.00 51.15 C ATOM 2077 CD GLU A 131 -17.364 3.961 9.331 1.00 55.55 C ATOM 2078 OE1 GLU A 131 -18.499 3.479 9.547 1.00 21.21 O ATOM 2079 OE2 GLU A 131 -16.309 3.289 9.437 1.00 52.54 O ATOM 0 H GLU A 131 -17.800 6.501 5.177 1.00 55.21 H new ATOM 0 HA GLU A 131 -16.273 7.470 7.467 1.00 1.54 H new ATOM 0 HB2 GLU A 131 -18.584 6.346 7.557 1.00 72.02 H new ATOM 0 HB3 GLU A 131 -17.813 4.866 7.023 1.00 72.02 H new ATOM 0 HG2 GLU A 131 -16.259 5.808 9.230 1.00 51.15 H new ATOM 0 HG3 GLU A 131 -17.935 6.005 9.702 1.00 51.15 H new ATOM 2086 N THR A 132 -15.233 5.015 5.510 1.00 73.41 N ATOM 2087 CA THR A 132 -14.091 4.146 5.248 1.00 74.25 C ATOM 2088 C THR A 132 -12.802 4.965 5.262 1.00 55.25 C ATOM 2089 O THR A 132 -11.780 4.573 5.831 1.00 12.52 O ATOM 2090 CB THR A 132 -14.308 3.530 3.870 1.00 51.31 C ATOM 2091 OG1 THR A 132 -15.608 3.002 3.782 1.00 24.43 O ATOM 2092 CG2 THR A 132 -13.233 2.524 3.488 1.00 41.25 C ATOM 0 H THR A 132 -15.937 5.012 4.772 1.00 73.41 H new ATOM 0 HA THR A 132 -14.005 3.371 6.009 1.00 74.25 H new ATOM 0 HB THR A 132 -14.213 4.324 3.130 1.00 51.31 H new ATOM 0 HG1 THR A 132 -15.727 2.310 4.466 1.00 24.43 H new ATOM 0 HG21 THR A 132 -13.446 2.123 2.497 1.00 41.25 H new ATOM 0 HG22 THR A 132 -12.261 3.016 3.479 1.00 41.25 H new ATOM 0 HG23 THR A 132 -13.221 1.711 4.214 1.00 41.25 H new ATOM 2100 N ILE A 133 -12.871 6.135 4.627 1.00 44.21 N ATOM 2101 CA ILE A 133 -11.783 7.084 4.546 1.00 34.21 C ATOM 2102 C ILE A 133 -11.405 7.574 5.951 1.00 13.12 C ATOM 2103 O ILE A 133 -10.232 7.820 6.224 1.00 40.54 O ATOM 2104 CB ILE A 133 -12.212 8.230 3.603 1.00 64.43 C ATOM 2105 CG1 ILE A 133 -12.312 7.713 2.151 1.00 71.45 C ATOM 2106 CG2 ILE A 133 -11.175 9.347 3.695 1.00 34.23 C ATOM 2107 CD1 ILE A 133 -12.887 8.726 1.155 1.00 3.22 C ATOM 0 H ILE A 133 -13.713 6.449 4.144 1.00 44.21 H new ATOM 0 HA ILE A 133 -10.887 6.621 4.133 1.00 34.21 H new ATOM 0 HB ILE A 133 -13.191 8.608 3.899 1.00 64.43 H new ATOM 0 HG12 ILE A 133 -11.319 7.416 1.815 1.00 71.45 H new ATOM 0 HG13 ILE A 133 -12.934 6.818 2.139 1.00 71.45 H new ATOM 0 HG21 ILE A 133 -11.462 10.165 3.035 1.00 34.23 H new ATOM 0 HG22 ILE A 133 -11.122 9.710 4.721 1.00 34.23 H new ATOM 0 HG23 ILE A 133 -10.200 8.964 3.395 1.00 34.23 H new ATOM 0 HD11 ILE A 133 -12.921 8.280 0.161 1.00 3.22 H new ATOM 0 HD12 ILE A 133 -13.895 9.006 1.462 1.00 3.22 H new ATOM 0 HD13 ILE A 133 -12.255 9.613 1.133 1.00 3.22 H new ATOM 2119 N GLN A 134 -12.376 7.787 6.836 1.00 44.42 N ATOM 2120 CA GLN A 134 -12.073 8.357 8.148 1.00 74.05 C ATOM 2121 C GLN A 134 -11.566 7.291 9.123 1.00 41.41 C ATOM 2122 O GLN A 134 -10.724 7.566 9.980 1.00 64.25 O ATOM 2123 CB GLN A 134 -13.256 9.193 8.618 1.00 35.24 C ATOM 2124 CG GLN A 134 -14.279 8.429 9.410 1.00 51.34 C ATOM 2125 CD GLN A 134 -13.987 8.260 10.908 1.00 35.31 C ATOM 2126 OE1 GLN A 134 -13.589 9.188 11.613 1.00 31.12 O ATOM 2127 NE2 GLN A 134 -14.138 7.047 11.421 1.00 41.41 N ATOM 0 H GLN A 134 -13.361 7.579 6.675 1.00 44.42 H new ATOM 0 HA GLN A 134 -11.233 9.048 8.086 1.00 74.05 H new ATOM 0 HB2 GLN A 134 -12.884 10.017 9.227 1.00 35.24 H new ATOM 0 HB3 GLN A 134 -13.743 9.634 7.748 1.00 35.24 H new ATOM 0 HG2 GLN A 134 -15.241 8.931 9.303 1.00 51.34 H new ATOM 0 HG3 GLN A 134 -14.385 7.439 8.968 1.00 51.34 H new ATOM 0 HE21 GLN A 134 -14.468 6.282 10.833 1.00 41.41 H new ATOM 0 HE22 GLN A 134 -13.924 6.879 12.404 1.00 41.41 H new ATOM 2136 N ALA A 135 -12.054 6.066 8.946 1.00 42.41 N ATOM 2137 CA ALA A 135 -11.668 4.882 9.692 1.00 51.44 C ATOM 2138 C ALA A 135 -10.191 4.579 9.452 1.00 12.24 C ATOM 2139 O ALA A 135 -9.444 4.380 10.405 1.00 12.44 O ATOM 2140 CB ALA A 135 -12.558 3.709 9.278 1.00 62.24 C ATOM 0 H ALA A 135 -12.765 5.867 8.242 1.00 42.41 H new ATOM 0 HA ALA A 135 -11.804 5.052 10.760 1.00 51.44 H new ATOM 0 HB1 ALA A 135 -12.270 2.819 9.837 1.00 62.24 H new ATOM 0 HB2 ALA A 135 -13.600 3.950 9.491 1.00 62.24 H new ATOM 0 HB3 ALA A 135 -12.440 3.521 8.211 1.00 62.24 H new ATOM 2146 N VAL A 136 -9.712 4.637 8.209 1.00 54.14 N ATOM 2147 CA VAL A 136 -8.285 4.449 7.966 1.00 34.32 C ATOM 2148 C VAL A 136 -7.460 5.521 8.667 1.00 72.04 C ATOM 2149 O VAL A 136 -6.379 5.239 9.178 1.00 61.43 O ATOM 2150 CB VAL A 136 -7.998 4.344 6.468 1.00 60.13 C ATOM 2151 CG1 VAL A 136 -8.434 5.512 5.601 1.00 72.03 C ATOM 2152 CG2 VAL A 136 -6.529 4.072 6.170 1.00 40.23 C ATOM 0 H VAL A 136 -10.275 4.808 7.376 1.00 54.14 H new ATOM 0 HA VAL A 136 -7.976 3.500 8.405 1.00 34.32 H new ATOM 0 HB VAL A 136 -8.627 3.497 6.194 1.00 60.13 H new ATOM 0 HG11 VAL A 136 -8.172 5.311 4.562 1.00 72.03 H new ATOM 0 HG12 VAL A 136 -9.513 5.644 5.685 1.00 72.03 H new ATOM 0 HG13 VAL A 136 -7.930 6.420 5.933 1.00 72.03 H new ATOM 0 HG21 VAL A 136 -6.382 4.007 5.092 1.00 40.23 H new ATOM 0 HG22 VAL A 136 -5.920 4.883 6.571 1.00 40.23 H new ATOM 0 HG23 VAL A 136 -6.232 3.131 6.634 1.00 40.23 H new ATOM 2162 N GLN A 137 -7.963 6.751 8.735 1.00 51.31 N ATOM 2163 CA GLN A 137 -7.227 7.855 9.326 1.00 13.33 C ATOM 2164 C GLN A 137 -7.220 7.745 10.869 1.00 60.14 C ATOM 2165 O GLN A 137 -6.292 8.261 11.499 1.00 55.43 O ATOM 2166 CB GLN A 137 -7.827 9.178 8.814 1.00 43.51 C ATOM 2167 CG GLN A 137 -7.751 9.338 7.279 1.00 23.22 C ATOM 2168 CD GLN A 137 -6.555 10.126 6.748 1.00 3.44 C ATOM 2169 OE1 GLN A 137 -5.548 10.333 7.419 1.00 11.13 O ATOM 2170 NE2 GLN A 137 -6.620 10.587 5.505 1.00 51.24 N ATOM 0 H GLN A 137 -8.886 7.005 8.383 1.00 51.31 H new ATOM 0 HA GLN A 137 -6.180 7.822 9.023 1.00 13.33 H new ATOM 0 HB2 GLN A 137 -8.870 9.239 9.126 1.00 43.51 H new ATOM 0 HB3 GLN A 137 -7.304 10.011 9.284 1.00 43.51 H new ATOM 0 HG2 GLN A 137 -7.735 8.345 6.830 1.00 23.22 H new ATOM 0 HG3 GLN A 137 -8.664 9.827 6.939 1.00 23.22 H new ATOM 0 HE21 GLN A 137 -7.453 10.419 4.942 1.00 51.24 H new ATOM 0 HE22 GLN A 137 -5.836 11.109 5.113 1.00 51.24 H new ATOM 2179 N GLU A 138 -8.169 7.017 11.482 1.00 24.24 N ATOM 2180 CA GLU A 138 -8.083 6.594 12.885 1.00 52.25 C ATOM 2181 C GLU A 138 -6.879 5.666 13.034 1.00 13.34 C ATOM 2182 O GLU A 138 -5.992 5.885 13.858 1.00 63.31 O ATOM 2183 CB GLU A 138 -9.338 5.827 13.339 1.00 23.00 C ATOM 2184 CG GLU A 138 -10.574 6.677 13.653 1.00 52.32 C ATOM 2185 CD GLU A 138 -11.816 5.828 13.976 1.00 74.04 C ATOM 2186 OE1 GLU A 138 -11.727 4.630 14.330 1.00 32.13 O ATOM 2187 OE2 GLU A 138 -12.950 6.356 13.930 1.00 15.43 O ATOM 0 H GLU A 138 -9.020 6.706 11.014 1.00 24.24 H new ATOM 0 HA GLU A 138 -7.989 7.488 13.501 1.00 52.25 H new ATOM 0 HB2 GLU A 138 -9.603 5.112 12.560 1.00 23.00 H new ATOM 0 HB3 GLU A 138 -9.084 5.250 14.228 1.00 23.00 H new ATOM 0 HG2 GLU A 138 -10.355 7.329 14.499 1.00 52.32 H new ATOM 0 HG3 GLU A 138 -10.792 7.322 12.801 1.00 52.32 H new ATOM 2194 N GLU A 139 -6.845 4.605 12.235 1.00 31.20 N ATOM 2195 CA GLU A 139 -5.743 3.641 12.265 1.00 31.40 C ATOM 2196 C GLU A 139 -4.399 4.325 11.947 1.00 23.22 C ATOM 2197 O GLU A 139 -3.353 3.916 12.457 1.00 63.12 O ATOM 2198 CB GLU A 139 -6.027 2.442 11.342 1.00 20.00 C ATOM 2199 CG GLU A 139 -7.426 1.862 11.632 1.00 54.44 C ATOM 2200 CD GLU A 139 -7.529 0.341 11.590 1.00 71.03 C ATOM 2201 OE1 GLU A 139 -6.672 -0.341 12.203 1.00 35.23 O ATOM 2202 OE2 GLU A 139 -8.562 -0.161 11.093 1.00 21.03 O ATOM 0 H GLU A 139 -7.572 4.387 11.553 1.00 31.20 H new ATOM 0 HA GLU A 139 -5.663 3.245 13.277 1.00 31.40 H new ATOM 0 HB2 GLU A 139 -5.964 2.754 10.300 1.00 20.00 H new ATOM 0 HB3 GLU A 139 -5.269 1.673 11.490 1.00 20.00 H new ATOM 0 HG2 GLU A 139 -7.744 2.203 12.617 1.00 54.44 H new ATOM 0 HG3 GLU A 139 -8.129 2.276 10.909 1.00 54.44 H new ATOM 2209 N ASN A 140 -4.419 5.410 11.162 1.00 3.03 N ATOM 2210 CA ASN A 140 -3.236 6.193 10.827 1.00 13.21 C ATOM 2211 C ASN A 140 -2.649 6.872 12.061 1.00 73.53 C ATOM 2212 O ASN A 140 -1.440 6.776 12.253 1.00 22.31 O ATOM 2213 CB ASN A 140 -3.487 7.282 9.758 1.00 0.04 C ATOM 2214 CG ASN A 140 -3.772 6.839 8.329 1.00 14.00 C ATOM 2215 OD1 ASN A 140 -3.716 5.565 8.010 1.00 41.55 O flip ATOM 2216 ND2 ASN A 140 -3.984 7.663 7.444 1.00 21.53 N flip ATOM 0 H ASN A 140 -5.274 5.769 10.738 1.00 3.03 H new ATOM 0 HA ASN A 140 -2.536 5.466 10.415 1.00 13.21 H new ATOM 0 HB2 ASN A 140 -4.329 7.888 10.092 1.00 0.04 H new ATOM 0 HB3 ASN A 140 -2.614 7.934 9.736 1.00 0.04 H new ATOM 0 HD21 ASN A 140 -4.031 8.656 7.672 1.00 21.53 H new ATOM 0 HD22 ASN A 140 -4.113 7.355 6.480 1.00 21.53 H new ATOM 2223 N LYS A 141 -3.443 7.591 12.870 1.00 75.31 N ATOM 2224 CA LYS A 141 -2.900 8.383 13.986 1.00 22.53 C ATOM 2225 C LYS A 141 -2.160 7.530 15.013 1.00 12.20 C ATOM 2226 O LYS A 141 -1.154 7.968 15.570 1.00 4.23 O ATOM 2227 CB LYS A 141 -3.949 9.264 14.670 1.00 4.24 C ATOM 2228 CG LYS A 141 -5.287 8.572 14.937 1.00 11.44 C ATOM 2229 CD LYS A 141 -6.282 9.430 15.710 1.00 20.43 C ATOM 2230 CE LYS A 141 -6.573 10.733 14.964 1.00 0.41 C ATOM 2231 NZ LYS A 141 -7.705 11.469 15.544 1.00 24.42 N ATOM 0 H LYS A 141 -4.457 7.641 12.774 1.00 75.31 H new ATOM 0 HA LYS A 141 -2.172 9.050 13.524 1.00 22.53 H new ATOM 0 HB2 LYS A 141 -3.544 9.620 15.617 1.00 4.24 H new ATOM 0 HB3 LYS A 141 -4.127 10.142 14.050 1.00 4.24 H new ATOM 0 HG2 LYS A 141 -5.733 8.285 13.985 1.00 11.44 H new ATOM 0 HG3 LYS A 141 -5.105 7.653 15.494 1.00 11.44 H new ATOM 0 HD2 LYS A 141 -7.209 8.876 15.857 1.00 20.43 H new ATOM 0 HD3 LYS A 141 -5.884 9.654 16.700 1.00 20.43 H new ATOM 0 HE2 LYS A 141 -5.685 11.365 14.982 1.00 0.41 H new ATOM 0 HE3 LYS A 141 -6.785 10.510 13.918 1.00 0.41 H new ATOM 0 HZ1 LYS A 141 -7.863 12.344 15.005 1.00 24.42 H new ATOM 0 HZ2 LYS A 141 -8.560 10.878 15.504 1.00 24.42 H new ATOM 0 HZ3 LYS A 141 -7.494 11.706 16.534 1.00 24.42 H new ATOM 2245 N ALA A 142 -2.628 6.305 15.235 1.00 54.43 N ATOM 2246 CA ALA A 142 -1.948 5.334 16.085 1.00 61.11 C ATOM 2247 C ALA A 142 -0.542 5.038 15.564 1.00 41.13 C ATOM 2248 O ALA A 142 0.398 4.925 16.347 1.00 22.30 O ATOM 2249 CB ALA A 142 -2.761 4.044 16.165 1.00 44.43 C ATOM 0 H ALA A 142 -3.496 5.956 14.827 1.00 54.43 H new ATOM 0 HA ALA A 142 -1.858 5.761 17.084 1.00 61.11 H new ATOM 0 HB1 ALA A 142 -2.244 3.327 16.802 1.00 44.43 H new ATOM 0 HB2 ALA A 142 -3.744 4.259 16.584 1.00 44.43 H new ATOM 0 HB3 ALA A 142 -2.877 3.624 15.166 1.00 44.43 H new ATOM 2255 N PHE A 143 -0.391 4.907 14.248 1.00 14.43 N ATOM 2256 CA PHE A 143 0.889 4.656 13.621 1.00 34.44 C ATOM 2257 C PHE A 143 1.763 5.913 13.658 1.00 0.04 C ATOM 2258 O PHE A 143 2.845 5.880 14.238 1.00 61.11 O ATOM 2259 CB PHE A 143 0.651 4.132 12.205 1.00 64.23 C ATOM 2260 CG PHE A 143 1.930 3.776 11.474 1.00 62.13 C ATOM 2261 CD1 PHE A 143 2.648 4.776 10.792 1.00 63.13 C ATOM 2262 CD2 PHE A 143 2.415 2.455 11.485 1.00 4.42 C ATOM 2263 CE1 PHE A 143 3.843 4.456 10.123 1.00 40.22 C ATOM 2264 CE2 PHE A 143 3.600 2.134 10.803 1.00 43.22 C ATOM 2265 CZ PHE A 143 4.311 3.133 10.117 1.00 24.52 C ATOM 0 H PHE A 143 -1.165 4.974 13.588 1.00 14.43 H new ATOM 0 HA PHE A 143 1.439 3.892 14.171 1.00 34.44 H new ATOM 0 HB2 PHE A 143 0.012 3.251 12.254 1.00 64.23 H new ATOM 0 HB3 PHE A 143 0.111 4.886 11.632 1.00 64.23 H new ATOM 0 HD1 PHE A 143 2.280 5.791 10.782 1.00 63.13 H new ATOM 0 HD2 PHE A 143 1.875 1.687 12.019 1.00 4.42 H new ATOM 0 HE1 PHE A 143 4.400 5.228 9.614 1.00 40.22 H new ATOM 0 HE2 PHE A 143 3.965 1.118 10.806 1.00 43.22 H new ATOM 0 HZ PHE A 143 5.217 2.883 9.585 1.00 24.52 H new ATOM 2275 N GLU A 144 1.324 7.020 13.046 1.00 72.11 N ATOM 2276 CA GLU A 144 2.166 8.202 12.830 1.00 61.20 C ATOM 2277 C GLU A 144 2.670 8.827 14.130 1.00 21.15 C ATOM 2278 O GLU A 144 3.762 9.400 14.141 1.00 34.35 O ATOM 2279 CB GLU A 144 1.473 9.270 11.960 1.00 33.14 C ATOM 2280 CG GLU A 144 0.064 9.630 12.438 1.00 15.13 C ATOM 2281 CD GLU A 144 -0.291 11.118 12.374 1.00 22.23 C ATOM 2282 OE1 GLU A 144 -0.798 11.558 11.311 1.00 0.03 O ATOM 2283 OE2 GLU A 144 -0.077 11.875 13.346 1.00 14.33 O ATOM 0 H GLU A 144 0.375 7.121 12.687 1.00 72.11 H new ATOM 0 HA GLU A 144 3.035 7.831 12.286 1.00 61.20 H new ATOM 0 HB2 GLU A 144 2.086 10.172 11.950 1.00 33.14 H new ATOM 0 HB3 GLU A 144 1.418 8.910 10.933 1.00 33.14 H new ATOM 0 HG2 GLU A 144 -0.658 9.076 11.838 1.00 15.13 H new ATOM 0 HG3 GLU A 144 -0.050 9.291 13.468 1.00 15.13 H new ATOM 2290 N GLU A 145 1.921 8.715 15.229 1.00 23.11 N ATOM 2291 CA GLU A 145 2.348 9.262 16.504 1.00 41.30 C ATOM 2292 C GLU A 145 3.591 8.537 17.031 1.00 13.43 C ATOM 2293 O GLU A 145 4.449 9.149 17.675 1.00 3.02 O ATOM 2294 CB GLU A 145 1.202 9.191 17.509 1.00 1.05 C ATOM 2295 CG GLU A 145 1.670 9.823 18.826 1.00 60.21 C ATOM 2296 CD GLU A 145 0.560 10.182 19.806 1.00 24.13 C ATOM 2297 OE1 GLU A 145 -0.618 9.810 19.606 1.00 44.42 O ATOM 2298 OE2 GLU A 145 0.907 10.722 20.881 1.00 52.30 O ATOM 0 H GLU A 145 1.015 8.248 15.254 1.00 23.11 H new ATOM 0 HA GLU A 145 2.621 10.307 16.359 1.00 41.30 H new ATOM 0 HB2 GLU A 145 0.328 9.718 17.125 1.00 1.05 H new ATOM 0 HB3 GLU A 145 0.904 8.155 17.671 1.00 1.05 H new ATOM 0 HG2 GLU A 145 2.357 9.134 19.317 1.00 60.21 H new ATOM 0 HG3 GLU A 145 2.235 10.726 18.596 1.00 60.21 H new ATOM 2305 N LEU A 146 3.709 7.248 16.741 1.00 64.51 N ATOM 2306 CA LEU A 146 4.788 6.390 17.217 1.00 23.15 C ATOM 2307 C LEU A 146 5.856 6.163 16.152 1.00 21.14 C ATOM 2308 O LEU A 146 6.989 5.834 16.492 1.00 72.43 O ATOM 2309 CB LEU A 146 4.201 5.056 17.720 1.00 12.35 C ATOM 2310 CG LEU A 146 3.630 5.065 19.156 1.00 3.01 C ATOM 2311 CD1 LEU A 146 4.535 5.799 20.151 1.00 12.31 C ATOM 2312 CD2 LEU A 146 2.234 5.684 19.243 1.00 43.41 C ATOM 0 H LEU A 146 3.038 6.756 16.151 1.00 64.51 H new ATOM 0 HA LEU A 146 5.286 6.895 18.045 1.00 23.15 H new ATOM 0 HB2 LEU A 146 3.408 4.750 17.037 1.00 12.35 H new ATOM 0 HB3 LEU A 146 4.980 4.296 17.665 1.00 12.35 H new ATOM 0 HG LEU A 146 3.573 4.010 19.424 1.00 3.01 H new ATOM 0 HD11 LEU A 146 4.083 5.773 21.142 1.00 12.31 H new ATOM 0 HD12 LEU A 146 5.510 5.312 20.184 1.00 12.31 H new ATOM 0 HD13 LEU A 146 4.657 6.835 19.836 1.00 12.31 H new ATOM 0 HD21 LEU A 146 1.889 5.660 20.277 1.00 43.41 H new ATOM 0 HD22 LEU A 146 2.272 6.717 18.897 1.00 43.41 H new ATOM 0 HD23 LEU A 146 1.545 5.117 18.618 1.00 43.41 H new ATOM 2324 N HIS A 147 5.538 6.408 14.889 1.00 34.15 N ATOM 2325 CA HIS A 147 6.413 6.253 13.735 1.00 33.23 C ATOM 2326 C HIS A 147 6.460 7.592 12.987 1.00 1.14 C ATOM 2327 O HIS A 147 5.821 7.734 11.942 1.00 12.23 O ATOM 2328 CB HIS A 147 5.903 5.104 12.855 1.00 12.41 C ATOM 2329 CG HIS A 147 5.991 3.746 13.503 1.00 42.44 C ATOM 2330 ND1 HIS A 147 7.129 2.981 13.662 1.00 61.21 N ATOM 2331 CD2 HIS A 147 4.936 3.038 14.012 1.00 0.31 C ATOM 2332 CE1 HIS A 147 6.758 1.825 14.235 1.00 44.04 C ATOM 2333 NE2 HIS A 147 5.437 1.818 14.477 1.00 41.24 N ATOM 0 H HIS A 147 4.610 6.739 14.627 1.00 34.15 H new ATOM 0 HA HIS A 147 7.428 5.994 14.037 1.00 33.23 H new ATOM 0 HB2 HIS A 147 4.865 5.300 12.586 1.00 12.41 H new ATOM 0 HB3 HIS A 147 6.475 5.090 11.927 1.00 12.41 H new ATOM 0 HD2 HIS A 147 3.906 3.362 14.048 1.00 0.31 H new ATOM 0 HE1 HIS A 147 7.430 1.012 14.469 1.00 44.04 H new ATOM 0 HE2 HIS A 147 4.902 1.068 14.915 1.00 41.24 H new ATOM 2341 N PRO A 148 7.186 8.595 13.507 1.00 1.35 N ATOM 2342 CA PRO A 148 7.250 9.923 12.914 1.00 64.13 C ATOM 2343 C PRO A 148 7.936 9.886 11.556 1.00 11.11 C ATOM 2344 O PRO A 148 9.127 9.511 11.510 1.00 51.44 O ATOM 2345 CB PRO A 148 8.009 10.804 13.915 1.00 72.54 C ATOM 2346 CG PRO A 148 8.793 9.807 14.767 1.00 42.14 C ATOM 2347 CD PRO A 148 7.929 8.558 14.756 1.00 35.35 C ATOM 0 HA PRO A 148 6.253 10.324 12.729 1.00 64.13 H new ATOM 0 HB2 PRO A 148 8.673 11.504 13.407 1.00 72.54 H new ATOM 0 HB3 PRO A 148 7.326 11.397 14.523 1.00 72.54 H new ATOM 0 HG2 PRO A 148 9.780 9.613 14.348 1.00 42.14 H new ATOM 0 HG3 PRO A 148 8.944 10.179 15.780 1.00 42.14 H new ATOM 0 HD2 PRO A 148 8.542 7.659 14.819 1.00 35.35 H new ATOM 0 HD3 PRO A 148 7.254 8.543 15.611 1.00 35.35 H new