USER MOD reduce.3.24.130724 H: found=0, std=0, add=1348, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 1350 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 188 ASN : amide:sc= 0.136 K(o=0.28,f=-2.4!) USER MOD Set 1.2: A 193 THR OG1 : rot -158:sc= 0.146 USER MOD Set 2.1: A 104 TYR OH : rot -13:sc= 0.0199 USER MOD Set 2.2: A 148 SER OG : rot 170:sc= 0 USER MOD Set 3.1: A 131 ASN : amide:sc= 0 X(o=0,f=0.0025) USER MOD Set 3.2: A 176 TYR OH : rot 90:sc= 0 USER MOD Set 4.1: A 116 HIS : no HD1:sc= 0.0356 X(o=0.074,f=-0.19) USER MOD Set 4.2: A 118 THR OG1 : rot -179:sc= 0.038 USER MOD Set 5.1: A 23 LYS NZ :NH3+ -177:sc= 0.0315 (180deg=0.0237) USER MOD Set 5.2: A 61 HIS : no HD1:sc= -0.374 X(o=-0.34,f=-0.79) USER MOD Set 6.1: A 19 LYS NZ :NH3+ -143:sc= -0.133 (180deg=-0.142) USER MOD Set 6.2: A 22 GLN : amide:sc= -0.778 K(o=-0.91,f=-3.5!) USER MOD Set 7.1: A 5 SER OG : rot 180:sc= 0 USER MOD Set 7.2: A 178 ASN : amide:sc= -0.14 X(o=-0.14,f=-0.49) USER MOD Single : A 3 SER OG : rot 28:sc= 0.0405 USER MOD Single : A 4 MET CE :methyl -161:sc= 0 (180deg=-0.244) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 SER OG : rot 104:sc= 0.54 USER MOD Single : A 8 ASN : amide:sc= 0.063 K(o=0.063,f=-1.1) USER MOD Single : A 17 SER OG : rot -58:sc= 0.807 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.0722 K(o=-0.072,f=-1.1) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= -2.25 K(o=-2.2,f=-4.7!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0 K(o=0,f=-2.4!) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HE2:sc= -0.527 X(o=-0.53,f=-0.83) USER MOD Single : A 75 SER OG : rot -28:sc= 0.059 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 87:sc= 0.531 USER MOD Single : A 86 MET CE :methyl -132:sc= 0 (180deg=-0.717) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= -0.171 K(o=-0.17,f=-1.3!) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 116:sc= -0.0159 USER MOD Single : A 113 SER OG : rot -33:sc= 0.129 USER MOD Single : A 114 GLN :FLIP amide:sc= -0.0429 F(o=-1.1,f=-0.043) USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 TYR OH : rot 130:sc= 0.039 USER MOD Single : A 124 GLN :FLIP amide:sc= -0.112 F(o=-0.93,f=-0.11) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 128 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 139 ASN :FLIP amide:sc= 0.00445 F(o=-2.3!,f=0.0044) USER MOD Single : A 154 CYS SG : rot -106:sc= 0.301 USER MOD Single : A 157 SER OG : rot 76:sc= 0.505 USER MOD Single : A 160 LYS NZ :NH3+ -162:sc= -0.0274 (180deg=-0.463) USER MOD Single : A 162 MET CE :methyl -173:sc= -1.21 (180deg=-1.55) USER MOD Single : A 163 GLN :FLIP amide:sc= -1.62 F(o=-2.2,f=-1.6) USER MOD Single : A 167 SER OG : rot 162:sc= 0.878 USER MOD Single : A 173 MET CE :methyl 169:sc= -0.431 (180deg=-0.49) USER MOD Single : A 175 THR OG1 : rot 75:sc= 0.0707 USER MOD Single : A 180 HIS : no HD1:sc= 0.472 K(o=0.47,f=-1.8) USER MOD Single : A 186 GLN : amide:sc= -2.77! C(o=-2.8!,f=-4.7!) USER MOD Single : A 198 TYR OH : rot 165:sc= 0 USER MOD Single : A 200 ASN : amide:sc=-0.00691 K(o=-0.0069,f=-0.66) USER MOD Single : A 201 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 28 N SER A 3 6.781 -0.608 -1.597 1.00 23.33 N ATOM 29 CA SER A 3 7.931 -0.306 -2.442 1.00 0.01 C ATOM 30 C SER A 3 7.820 1.093 -3.045 1.00 40.33 C ATOM 31 O SER A 3 8.755 1.581 -3.678 1.00 33.42 O ATOM 32 CB SER A 3 8.057 -1.345 -3.557 1.00 73.53 C ATOM 33 OG SER A 3 8.253 -2.644 -3.026 1.00 1.42 O ATOM 0 HA SER A 3 8.824 -0.340 -1.818 1.00 0.01 H new ATOM 0 HB2 SER A 3 7.158 -1.333 -4.173 1.00 73.53 H new ATOM 0 HB3 SER A 3 8.892 -1.085 -4.207 1.00 73.53 H new ATOM 0 HG SER A 3 7.838 -2.701 -2.140 1.00 1.42 H new ATOM 39 N MET A 4 6.670 1.733 -2.841 1.00 62.21 N ATOM 40 CA MET A 4 6.435 3.075 -3.365 1.00 74.22 C ATOM 41 C MET A 4 6.728 4.139 -2.308 1.00 11.02 C ATOM 42 O MET A 4 6.325 5.294 -2.449 1.00 31.10 O ATOM 43 CB MET A 4 4.990 3.209 -3.857 1.00 31.25 C ATOM 44 CG MET A 4 4.754 2.631 -5.246 1.00 12.35 C ATOM 45 SD MET A 4 4.890 0.833 -5.294 1.00 64.11 S ATOM 46 CE MET A 4 4.540 0.511 -7.020 1.00 33.43 C ATOM 0 H MET A 4 5.887 1.343 -2.316 1.00 62.21 H new ATOM 0 HA MET A 4 7.114 3.231 -4.204 1.00 74.22 H new ATOM 0 HB2 MET A 4 4.328 2.710 -3.149 1.00 31.25 H new ATOM 0 HB3 MET A 4 4.715 4.264 -3.862 1.00 31.25 H new ATOM 0 HG2 MET A 4 3.763 2.924 -5.592 1.00 12.35 H new ATOM 0 HG3 MET A 4 5.475 3.063 -5.940 1.00 12.35 H new ATOM 0 HE1 MET A 4 4.254 -0.534 -7.145 1.00 33.43 H new ATOM 0 HE2 MET A 4 3.724 1.153 -7.352 1.00 33.43 H new ATOM 0 HE3 MET A 4 5.429 0.718 -7.616 1.00 33.43 H new ATOM 56 N SER A 5 7.439 3.744 -1.255 1.00 24.54 N ATOM 57 CA SER A 5 7.790 4.660 -0.174 1.00 61.33 C ATOM 58 C SER A 5 8.955 5.561 -0.578 1.00 22.21 C ATOM 59 O SER A 5 8.926 6.769 -0.344 1.00 11.34 O ATOM 60 CB SER A 5 8.150 3.876 1.089 1.00 54.04 C ATOM 61 OG SER A 5 7.085 3.028 1.485 1.00 75.21 O ATOM 0 H SER A 5 7.784 2.793 -1.128 1.00 24.54 H new ATOM 0 HA SER A 5 6.924 5.289 0.031 1.00 61.33 H new ATOM 0 HB2 SER A 5 9.045 3.281 0.908 1.00 54.04 H new ATOM 0 HB3 SER A 5 8.386 4.569 1.896 1.00 54.04 H new ATOM 0 HG SER A 5 7.341 2.537 2.294 1.00 75.21 H new ATOM 67 N GLN A 6 9.977 4.962 -1.186 1.00 62.15 N ATOM 68 CA GLN A 6 11.153 5.707 -1.625 1.00 41.41 C ATOM 69 C GLN A 6 11.065 6.047 -3.111 1.00 15.43 C ATOM 70 O GLN A 6 11.832 6.870 -3.613 1.00 11.22 O ATOM 71 CB GLN A 6 12.427 4.904 -1.351 1.00 32.02 C ATOM 72 CG GLN A 6 12.663 4.618 0.123 1.00 51.12 C ATOM 73 CD GLN A 6 13.923 3.811 0.363 1.00 63.24 C ATOM 74 OE1 GLN A 6 15.003 4.368 0.563 1.00 44.15 O ATOM 75 NE2 GLN A 6 13.792 2.490 0.344 1.00 70.24 N ATOM 0 H GLN A 6 10.014 3.962 -1.385 1.00 62.15 H new ATOM 0 HA GLN A 6 11.188 6.638 -1.059 1.00 41.41 H new ATOM 0 HB2 GLN A 6 12.374 3.959 -1.892 1.00 32.02 H new ATOM 0 HB3 GLN A 6 13.283 5.450 -1.748 1.00 32.02 H new ATOM 0 HG2 GLN A 6 12.730 5.560 0.666 1.00 51.12 H new ATOM 0 HG3 GLN A 6 11.807 4.077 0.527 1.00 51.12 H new ATOM 0 HE21 GLN A 6 12.878 2.071 0.175 1.00 70.24 H new ATOM 0 HE22 GLN A 6 14.606 1.895 0.499 1.00 70.24 H new ATOM 84 N SER A 7 10.125 5.410 -3.809 1.00 42.13 N ATOM 85 CA SER A 7 9.937 5.647 -5.238 1.00 21.20 C ATOM 86 C SER A 7 9.198 6.959 -5.485 1.00 25.20 C ATOM 87 O SER A 7 9.251 7.515 -6.582 1.00 30.31 O ATOM 88 CB SER A 7 9.169 4.489 -5.875 1.00 51.11 C ATOM 89 OG SER A 7 9.916 3.287 -5.819 1.00 53.41 O ATOM 0 H SER A 7 9.483 4.727 -3.407 1.00 42.13 H new ATOM 0 HA SER A 7 10.923 5.716 -5.697 1.00 21.20 H new ATOM 0 HB2 SER A 7 8.218 4.353 -5.361 1.00 51.11 H new ATOM 0 HB3 SER A 7 8.939 4.729 -6.913 1.00 51.11 H new ATOM 0 HG SER A 7 9.552 2.708 -5.117 1.00 53.41 H new ATOM 95 N ASN A 8 8.506 7.446 -4.461 1.00 45.45 N ATOM 96 CA ASN A 8 7.763 8.695 -4.569 1.00 60.14 C ATOM 97 C ASN A 8 8.438 9.801 -3.767 1.00 0.43 C ATOM 98 O ASN A 8 8.037 10.961 -3.839 1.00 73.23 O ATOM 99 CB ASN A 8 6.325 8.502 -4.095 1.00 21.31 C ATOM 100 CG ASN A 8 5.545 7.566 -4.996 1.00 74.31 C ATOM 101 OD1 ASN A 8 5.805 7.477 -6.196 1.00 22.44 O ATOM 102 ND2 ASN A 8 4.583 6.860 -4.421 1.00 14.14 N ATOM 0 H ASN A 8 8.444 6.995 -3.548 1.00 45.45 H new ATOM 0 HA ASN A 8 7.751 8.992 -5.618 1.00 60.14 H new ATOM 0 HB2 ASN A 8 6.329 8.106 -3.079 1.00 21.31 H new ATOM 0 HB3 ASN A 8 5.824 9.469 -4.058 1.00 21.31 H new ATOM 0 HD21 ASN A 8 4.024 6.212 -4.976 1.00 14.14 H new ATOM 0 HD22 ASN A 8 4.401 6.964 -3.423 1.00 14.14 H new ATOM 109 N ARG A 9 9.466 9.432 -3.005 1.00 12.02 N ATOM 110 CA ARG A 9 10.204 10.395 -2.196 1.00 51.05 C ATOM 111 C ARG A 9 11.161 11.202 -3.069 1.00 14.21 C ATOM 112 O ARG A 9 11.462 12.359 -2.776 1.00 25.40 O ATOM 113 CB ARG A 9 10.978 9.675 -1.088 1.00 42.50 C ATOM 114 CG ARG A 9 11.467 10.602 0.014 1.00 31.12 C ATOM 115 CD ARG A 9 12.098 9.826 1.157 1.00 42.03 C ATOM 116 NE ARG A 9 12.497 10.702 2.257 1.00 5.14 N ATOM 117 CZ ARG A 9 12.990 10.262 3.412 1.00 73.34 C ATOM 118 NH1 ARG A 9 13.146 8.962 3.622 1.00 13.23 N1+ ATOM 119 NH2 ARG A 9 13.328 11.125 4.360 1.00 21.22 N ATOM 0 H ARG A 9 9.805 8.473 -2.932 1.00 12.02 H new ATOM 0 HA ARG A 9 9.491 11.080 -1.737 1.00 51.05 H new ATOM 0 HB2 ARG A 9 10.339 8.908 -0.650 1.00 42.50 H new ATOM 0 HB3 ARG A 9 11.834 9.164 -1.528 1.00 42.50 H new ATOM 0 HG2 ARG A 9 12.194 11.303 -0.395 1.00 31.12 H new ATOM 0 HG3 ARG A 9 10.632 11.192 0.391 1.00 31.12 H new ATOM 0 HD2 ARG A 9 11.391 9.082 1.524 1.00 42.03 H new ATOM 0 HD3 ARG A 9 12.970 9.284 0.790 1.00 42.03 H new ATOM 0 HE ARG A 9 12.391 11.709 2.132 1.00 5.14 H new ATOM 0 HH11 ARG A 9 12.888 8.294 2.896 1.00 13.23 H new ATOM 0 HH12 ARG A 9 13.524 8.631 4.509 1.00 13.23 H new ATOM 0 HH21 ARG A 9 13.210 12.126 4.204 1.00 21.22 H new ATOM 0 HH22 ARG A 9 13.706 10.788 5.245 1.00 21.22 H new ATOM 133 N GLU A 10 11.628 10.579 -4.150 1.00 63.25 N ATOM 134 CA GLU A 10 12.540 11.231 -5.082 1.00 11.22 C ATOM 135 C GLU A 10 11.777 12.196 -5.989 1.00 31.42 C ATOM 136 O GLU A 10 12.359 13.114 -6.567 1.00 63.04 O ATOM 137 CB GLU A 10 13.273 10.181 -5.923 1.00 15.12 C ATOM 138 CG GLU A 10 14.435 10.738 -6.733 1.00 44.41 C ATOM 139 CD GLU A 10 15.532 11.318 -5.861 1.00 40.11 C ATOM 140 OE1 GLU A 10 15.540 12.551 -5.657 1.00 32.10 O ATOM 141 OE2 GLU A 10 16.383 10.540 -5.381 1.00 2.34 O1- ATOM 0 H GLU A 10 11.387 9.620 -4.401 1.00 63.25 H new ATOM 0 HA GLU A 10 13.274 11.800 -4.511 1.00 11.22 H new ATOM 0 HB2 GLU A 10 13.646 9.398 -5.263 1.00 15.12 H new ATOM 0 HB3 GLU A 10 12.561 9.713 -6.603 1.00 15.12 H new ATOM 0 HG2 GLU A 10 14.852 9.946 -7.355 1.00 44.41 H new ATOM 0 HG3 GLU A 10 14.065 11.511 -7.407 1.00 44.41 H new ATOM 148 N LEU A 11 10.467 11.983 -6.096 1.00 22.23 N ATOM 149 CA LEU A 11 9.610 12.829 -6.921 1.00 41.33 C ATOM 150 C LEU A 11 9.303 14.146 -6.212 1.00 3.53 C ATOM 151 O LEU A 11 8.981 15.147 -6.854 1.00 35.05 O ATOM 152 CB LEU A 11 8.305 12.098 -7.249 1.00 5.34 C ATOM 153 CG LEU A 11 8.474 10.704 -7.859 1.00 65.44 C ATOM 154 CD1 LEU A 11 7.120 10.048 -8.075 1.00 15.33 C ATOM 155 CD2 LEU A 11 9.240 10.785 -9.170 1.00 11.20 C ATOM 0 H LEU A 11 9.975 11.228 -5.619 1.00 22.23 H new ATOM 0 HA LEU A 11 10.140 13.050 -7.848 1.00 41.33 H new ATOM 0 HB2 LEU A 11 7.718 12.008 -6.335 1.00 5.34 H new ATOM 0 HB3 LEU A 11 7.727 12.712 -7.940 1.00 5.34 H new ATOM 0 HG LEU A 11 9.046 10.092 -7.162 1.00 65.44 H new ATOM 0 HD11 LEU A 11 7.260 9.058 -8.509 1.00 15.33 H new ATOM 0 HD12 LEU A 11 6.604 9.955 -7.119 1.00 15.33 H new ATOM 0 HD13 LEU A 11 6.523 10.660 -8.752 1.00 15.33 H new ATOM 0 HD21 LEU A 11 9.351 9.785 -9.589 1.00 11.20 H new ATOM 0 HD22 LEU A 11 8.694 11.414 -9.872 1.00 11.20 H new ATOM 0 HD23 LEU A 11 10.226 11.214 -8.990 1.00 11.20 H new ATOM 167 N VAL A 12 9.407 14.134 -4.883 1.00 22.34 N ATOM 168 CA VAL A 12 9.150 15.324 -4.077 1.00 40.42 C ATOM 169 C VAL A 12 10.354 16.266 -4.109 1.00 65.31 C ATOM 170 O VAL A 12 10.206 17.485 -4.040 1.00 60.14 O ATOM 171 CB VAL A 12 8.829 14.955 -2.611 1.00 23.32 C ATOM 172 CG1 VAL A 12 8.379 16.181 -1.832 1.00 25.03 C ATOM 173 CG2 VAL A 12 7.767 13.868 -2.548 1.00 53.22 C ATOM 0 H VAL A 12 9.668 13.310 -4.342 1.00 22.34 H new ATOM 0 HA VAL A 12 8.284 15.826 -4.508 1.00 40.42 H new ATOM 0 HB VAL A 12 9.741 14.572 -2.153 1.00 23.32 H new ATOM 0 HG11 VAL A 12 8.158 15.897 -0.803 1.00 25.03 H new ATOM 0 HG12 VAL A 12 9.172 16.929 -1.840 1.00 25.03 H new ATOM 0 HG13 VAL A 12 7.483 16.597 -2.294 1.00 25.03 H new ATOM 0 HG21 VAL A 12 7.557 13.624 -1.507 1.00 53.22 H new ATOM 0 HG22 VAL A 12 6.855 14.222 -3.029 1.00 53.22 H new ATOM 0 HG23 VAL A 12 8.127 12.978 -3.064 1.00 53.22 H new ATOM 183 N VAL A 13 11.545 15.688 -4.223 1.00 44.24 N ATOM 184 CA VAL A 13 12.778 16.468 -4.274 1.00 64.33 C ATOM 185 C VAL A 13 13.080 16.895 -5.712 1.00 42.14 C ATOM 186 O VAL A 13 13.841 17.835 -5.950 1.00 23.25 O ATOM 187 CB VAL A 13 13.973 15.662 -3.713 1.00 50.40 C ATOM 188 CG1 VAL A 13 15.193 16.552 -3.523 1.00 71.34 C ATOM 189 CG2 VAL A 13 13.599 14.989 -2.401 1.00 33.23 C ATOM 0 H VAL A 13 11.684 14.679 -4.282 1.00 44.24 H new ATOM 0 HA VAL A 13 12.635 17.354 -3.655 1.00 64.33 H new ATOM 0 HB VAL A 13 14.225 14.890 -4.440 1.00 50.40 H new ATOM 0 HG11 VAL A 13 16.018 15.959 -3.128 1.00 71.34 H new ATOM 0 HG12 VAL A 13 15.482 16.982 -4.482 1.00 71.34 H new ATOM 0 HG13 VAL A 13 14.954 17.353 -2.823 1.00 71.34 H new ATOM 0 HG21 VAL A 13 14.454 14.427 -2.024 1.00 33.23 H new ATOM 0 HG22 VAL A 13 13.312 15.747 -1.672 1.00 33.23 H new ATOM 0 HG23 VAL A 13 12.763 14.310 -2.566 1.00 33.23 H new ATOM 199 N ASP A 14 12.458 16.204 -6.666 1.00 1.42 N ATOM 200 CA ASP A 14 12.653 16.489 -8.085 1.00 43.32 C ATOM 201 C ASP A 14 11.999 17.809 -8.487 1.00 21.21 C ATOM 202 O ASP A 14 12.636 18.654 -9.112 1.00 63.44 O ATOM 203 CB ASP A 14 12.089 15.346 -8.936 1.00 21.13 C ATOM 204 CG ASP A 14 12.294 15.568 -10.423 1.00 4.43 C ATOM 205 OD1 ASP A 14 11.308 15.898 -11.115 1.00 34.52 O ATOM 206 OD2 ASP A 14 13.440 15.412 -10.894 1.00 73.41 O1- ATOM 0 H ASP A 14 11.811 15.438 -6.479 1.00 1.42 H new ATOM 0 HA ASP A 14 13.725 16.577 -8.262 1.00 43.32 H new ATOM 0 HB2 ASP A 14 12.566 14.411 -8.643 1.00 21.13 H new ATOM 0 HB3 ASP A 14 11.024 15.238 -8.732 1.00 21.13 H new ATOM 211 N PHE A 15 10.732 17.988 -8.121 1.00 30.02 N ATOM 212 CA PHE A 15 10.007 19.208 -8.467 1.00 40.51 C ATOM 213 C PHE A 15 10.396 20.369 -7.547 1.00 55.12 C ATOM 214 O PHE A 15 10.255 21.535 -7.918 1.00 23.20 O ATOM 215 CB PHE A 15 8.489 18.962 -8.422 1.00 2.42 C ATOM 216 CG PHE A 15 7.853 19.226 -7.084 1.00 22.33 C ATOM 217 CD1 PHE A 15 7.871 18.264 -6.089 1.00 44.13 C ATOM 218 CD2 PHE A 15 7.236 20.441 -6.824 1.00 51.43 C ATOM 219 CE1 PHE A 15 7.289 18.508 -4.860 1.00 3.55 C ATOM 220 CE2 PHE A 15 6.654 20.689 -5.598 1.00 74.33 C ATOM 221 CZ PHE A 15 6.680 19.721 -4.614 1.00 54.30 C ATOM 0 H PHE A 15 10.189 17.309 -7.588 1.00 30.02 H new ATOM 0 HA PHE A 15 10.284 19.486 -9.484 1.00 40.51 H new ATOM 0 HB2 PHE A 15 8.009 19.594 -9.169 1.00 2.42 H new ATOM 0 HB3 PHE A 15 8.293 17.928 -8.706 1.00 2.42 H new ATOM 0 HD1 PHE A 15 8.345 17.312 -6.275 1.00 44.13 H new ATOM 0 HD2 PHE A 15 7.211 21.202 -7.590 1.00 51.43 H new ATOM 0 HE1 PHE A 15 7.311 17.749 -4.092 1.00 3.55 H new ATOM 0 HE2 PHE A 15 6.178 21.640 -5.408 1.00 74.33 H new ATOM 0 HZ PHE A 15 6.225 19.913 -3.654 1.00 54.30 H new ATOM 231 N LEU A 16 10.895 20.047 -6.353 1.00 64.22 N ATOM 232 CA LEU A 16 11.294 21.068 -5.386 1.00 72.32 C ATOM 233 C LEU A 16 12.604 21.742 -5.795 1.00 33.21 C ATOM 234 O LEU A 16 12.868 22.881 -5.411 1.00 40.03 O ATOM 235 CB LEU A 16 11.424 20.455 -3.987 1.00 4.43 C ATOM 236 CG LEU A 16 11.691 21.450 -2.852 1.00 71.13 C ATOM 237 CD1 LEU A 16 10.598 22.508 -2.790 1.00 3.51 C ATOM 238 CD2 LEU A 16 11.796 20.720 -1.523 1.00 52.20 C ATOM 0 H LEU A 16 11.032 19.088 -6.033 1.00 64.22 H new ATOM 0 HA LEU A 16 10.517 21.832 -5.367 1.00 72.32 H new ATOM 0 HB2 LEU A 16 10.507 19.911 -3.761 1.00 4.43 H new ATOM 0 HB3 LEU A 16 12.232 19.724 -4.003 1.00 4.43 H new ATOM 0 HG LEU A 16 12.638 21.950 -3.053 1.00 71.13 H new ATOM 0 HD11 LEU A 16 10.810 23.202 -1.977 1.00 3.51 H new ATOM 0 HD12 LEU A 16 10.565 23.053 -3.733 1.00 3.51 H new ATOM 0 HD13 LEU A 16 9.636 22.027 -2.615 1.00 3.51 H new ATOM 0 HD21 LEU A 16 11.986 21.440 -0.727 1.00 52.20 H new ATOM 0 HD22 LEU A 16 10.863 20.194 -1.322 1.00 52.20 H new ATOM 0 HD23 LEU A 16 12.615 20.002 -1.566 1.00 52.20 H new ATOM 250 N SER A 17 13.419 21.038 -6.581 1.00 61.33 N ATOM 251 CA SER A 17 14.693 21.584 -7.041 1.00 54.41 C ATOM 252 C SER A 17 14.472 22.602 -8.159 1.00 31.12 C ATOM 253 O SER A 17 15.343 23.425 -8.442 1.00 53.12 O ATOM 254 CB SER A 17 15.620 20.464 -7.523 1.00 53.13 C ATOM 255 OG SER A 17 15.146 19.883 -8.725 1.00 2.41 O ATOM 0 H SER A 17 13.220 20.093 -6.910 1.00 61.33 H new ATOM 0 HA SER A 17 15.167 22.089 -6.199 1.00 54.41 H new ATOM 0 HB2 SER A 17 16.623 20.862 -7.680 1.00 53.13 H new ATOM 0 HB3 SER A 17 15.698 19.697 -6.752 1.00 53.13 H new ATOM 0 HG SER A 17 14.244 19.527 -8.583 1.00 2.41 H new ATOM 261 N TYR A 18 13.299 22.540 -8.788 1.00 32.53 N ATOM 262 CA TYR A 18 12.954 23.462 -9.864 1.00 34.51 C ATOM 263 C TYR A 18 12.222 24.682 -9.312 1.00 33.20 C ATOM 264 O TYR A 18 11.952 25.637 -10.040 1.00 73.25 O ATOM 265 CB TYR A 18 12.087 22.765 -10.917 1.00 41.32 C ATOM 266 CG TYR A 18 12.768 21.597 -11.595 1.00 34.43 C ATOM 267 CD1 TYR A 18 12.145 20.359 -11.675 1.00 24.32 C ATOM 268 CD2 TYR A 18 14.034 21.732 -12.152 1.00 12.13 C ATOM 269 CE1 TYR A 18 12.764 19.288 -12.291 1.00 62.14 C ATOM 270 CE2 TYR A 18 14.658 20.665 -12.770 1.00 51.11 C ATOM 271 CZ TYR A 18 14.019 19.446 -12.837 1.00 0.54 C ATOM 272 OH TYR A 18 14.636 18.381 -13.451 1.00 61.02 O ATOM 0 H TYR A 18 12.572 21.859 -8.569 1.00 32.53 H new ATOM 0 HA TYR A 18 13.880 23.791 -10.336 1.00 34.51 H new ATOM 0 HB2 TYR A 18 11.170 22.414 -10.444 1.00 41.32 H new ATOM 0 HB3 TYR A 18 11.796 23.493 -11.674 1.00 41.32 H new ATOM 0 HD1 TYR A 18 11.161 20.231 -11.249 1.00 24.32 H new ATOM 0 HD2 TYR A 18 14.538 22.686 -12.101 1.00 12.13 H new ATOM 0 HE1 TYR A 18 12.266 18.331 -12.344 1.00 62.14 H new ATOM 0 HE2 TYR A 18 15.642 20.786 -13.198 1.00 51.11 H new ATOM 0 HH TYR A 18 15.515 18.659 -13.784 1.00 61.02 H new ATOM 282 N LYS A 19 11.895 24.636 -8.022 1.00 33.40 N ATOM 283 CA LYS A 19 11.205 25.738 -7.361 1.00 71.20 C ATOM 284 C LYS A 19 12.164 26.495 -6.445 1.00 74.34 C ATOM 285 O LYS A 19 11.847 27.579 -5.958 1.00 53.33 O ATOM 286 CB LYS A 19 10.011 25.218 -6.554 1.00 24.30 C ATOM 287 CG LYS A 19 8.930 24.561 -7.402 1.00 64.24 C ATOM 288 CD LYS A 19 8.224 25.567 -8.301 1.00 35.31 C ATOM 289 CE LYS A 19 8.547 25.329 -9.768 1.00 14.51 C ATOM 290 NZ LYS A 19 7.772 26.232 -10.661 1.00 1.03 N1+ ATOM 0 H LYS A 19 12.098 23.843 -7.413 1.00 33.40 H new ATOM 0 HA LYS A 19 10.839 26.420 -8.128 1.00 71.20 H new ATOM 0 HB2 LYS A 19 10.369 24.498 -5.818 1.00 24.30 H new ATOM 0 HB3 LYS A 19 9.571 26.047 -6.001 1.00 24.30 H new ATOM 0 HG2 LYS A 19 9.375 23.777 -8.014 1.00 64.24 H new ATOM 0 HG3 LYS A 19 8.200 24.081 -6.751 1.00 64.24 H new ATOM 0 HD2 LYS A 19 7.147 25.499 -8.149 1.00 35.31 H new ATOM 0 HD3 LYS A 19 8.522 26.578 -8.021 1.00 35.31 H new ATOM 0 HE2 LYS A 19 9.613 25.482 -9.934 1.00 14.51 H new ATOM 0 HE3 LYS A 19 8.330 24.292 -10.024 1.00 14.51 H new ATOM 0 HZ1 LYS A 19 7.502 25.719 -11.524 1.00 1.03 H new ATOM 0 HZ2 LYS A 19 6.915 26.555 -10.169 1.00 1.03 H new ATOM 0 HZ3 LYS A 19 8.356 27.054 -10.915 1.00 1.03 H new ATOM 304 N LEU A 20 13.338 25.909 -6.217 1.00 51.53 N ATOM 305 CA LEU A 20 14.352 26.520 -5.364 1.00 12.22 C ATOM 306 C LEU A 20 15.427 27.211 -6.197 1.00 64.24 C ATOM 307 O LEU A 20 15.758 28.370 -5.954 1.00 44.31 O ATOM 308 CB LEU A 20 14.997 25.463 -4.462 1.00 74.32 C ATOM 309 CG LEU A 20 14.225 25.136 -3.182 1.00 34.14 C ATOM 310 CD1 LEU A 20 14.792 23.888 -2.525 1.00 64.12 C ATOM 311 CD2 LEU A 20 14.273 26.310 -2.215 1.00 33.14 C ATOM 0 H LEU A 20 13.610 25.009 -6.613 1.00 51.53 H new ATOM 0 HA LEU A 20 13.860 27.270 -4.745 1.00 12.22 H new ATOM 0 HB2 LEU A 20 15.120 24.545 -5.037 1.00 74.32 H new ATOM 0 HB3 LEU A 20 15.995 25.804 -4.187 1.00 74.32 H new ATOM 0 HG LEU A 20 13.184 24.948 -3.447 1.00 34.14 H new ATOM 0 HD11 LEU A 20 14.232 23.669 -1.616 1.00 64.12 H new ATOM 0 HD12 LEU A 20 14.711 23.046 -3.213 1.00 64.12 H new ATOM 0 HD13 LEU A 20 15.840 24.053 -2.275 1.00 64.12 H new ATOM 0 HD21 LEU A 20 13.719 26.059 -1.311 1.00 33.14 H new ATOM 0 HD22 LEU A 20 15.310 26.527 -1.957 1.00 33.14 H new ATOM 0 HD23 LEU A 20 13.825 27.186 -2.684 1.00 33.14 H new ATOM 323 N SER A 21 15.961 26.492 -7.185 1.00 21.30 N ATOM 324 CA SER A 21 17.008 27.026 -8.056 1.00 40.15 C ATOM 325 C SER A 21 16.462 28.100 -8.998 1.00 30.21 C ATOM 326 O SER A 21 17.216 28.927 -9.513 1.00 52.24 O ATOM 327 CB SER A 21 17.644 25.895 -8.868 1.00 61.20 C ATOM 328 OG SER A 21 18.732 26.368 -9.644 1.00 34.20 O ATOM 0 H SER A 21 15.684 25.535 -7.402 1.00 21.30 H new ATOM 0 HA SER A 21 17.764 27.488 -7.422 1.00 40.15 H new ATOM 0 HB2 SER A 21 17.989 25.110 -8.195 1.00 61.20 H new ATOM 0 HB3 SER A 21 16.895 25.448 -9.522 1.00 61.20 H new ATOM 0 HG SER A 21 19.120 25.624 -10.151 1.00 34.20 H new ATOM 334 N GLN A 22 15.149 28.084 -9.213 1.00 15.21 N ATOM 335 CA GLN A 22 14.499 29.056 -10.087 1.00 24.03 C ATOM 336 C GLN A 22 14.401 30.421 -9.408 1.00 23.23 C ATOM 337 O GLN A 22 14.414 31.459 -10.071 1.00 32.33 O ATOM 338 CB GLN A 22 13.105 28.558 -10.473 1.00 43.51 C ATOM 339 CG GLN A 22 12.431 29.380 -11.559 1.00 31.51 C ATOM 340 CD GLN A 22 11.069 28.834 -11.939 1.00 2.13 C ATOM 341 OE1 GLN A 22 10.368 28.250 -11.112 1.00 10.23 O ATOM 342 NE2 GLN A 22 10.688 29.016 -13.198 1.00 21.52 N ATOM 0 H GLN A 22 14.513 27.406 -8.792 1.00 15.21 H new ATOM 0 HA GLN A 22 15.103 29.167 -10.988 1.00 24.03 H new ATOM 0 HB2 GLN A 22 13.181 27.524 -10.809 1.00 43.51 H new ATOM 0 HB3 GLN A 22 12.472 28.559 -9.586 1.00 43.51 H new ATOM 0 HG2 GLN A 22 12.324 30.409 -11.217 1.00 31.51 H new ATOM 0 HG3 GLN A 22 13.069 29.402 -12.442 1.00 31.51 H new ATOM 0 HE21 GLN A 22 11.300 29.506 -13.850 1.00 21.52 H new ATOM 0 HE22 GLN A 22 9.783 28.666 -13.513 1.00 21.52 H new ATOM 351 N LYS A 23 14.311 30.412 -8.079 1.00 42.13 N ATOM 352 CA LYS A 23 14.211 31.646 -7.308 1.00 21.42 C ATOM 353 C LYS A 23 15.594 32.225 -7.019 1.00 52.15 C ATOM 354 O LYS A 23 15.794 33.438 -7.086 1.00 43.43 O ATOM 355 CB LYS A 23 13.463 31.397 -5.994 1.00 14.44 C ATOM 356 CG LYS A 23 12.066 30.817 -6.173 1.00 43.44 C ATOM 357 CD LYS A 23 11.172 31.733 -6.997 1.00 23.41 C ATOM 358 CE LYS A 23 10.954 31.184 -8.399 1.00 34.14 C ATOM 359 NZ LYS A 23 10.204 32.136 -9.260 1.00 24.44 N1+ ATOM 0 H LYS A 23 14.305 29.562 -7.515 1.00 42.13 H new ATOM 0 HA LYS A 23 13.653 32.369 -7.903 1.00 21.42 H new ATOM 0 HB2 LYS A 23 14.051 30.717 -5.377 1.00 14.44 H new ATOM 0 HB3 LYS A 23 13.387 32.337 -5.448 1.00 14.44 H new ATOM 0 HG2 LYS A 23 12.136 29.844 -6.660 1.00 43.44 H new ATOM 0 HG3 LYS A 23 11.614 30.652 -5.195 1.00 43.44 H new ATOM 0 HD2 LYS A 23 10.210 31.851 -6.497 1.00 23.41 H new ATOM 0 HD3 LYS A 23 11.622 32.724 -7.059 1.00 23.41 H new ATOM 0 HE2 LYS A 23 11.919 30.964 -8.856 1.00 34.14 H new ATOM 0 HE3 LYS A 23 10.408 30.242 -8.339 1.00 34.14 H new ATOM 0 HZ1 LYS A 23 10.033 31.703 -10.190 1.00 24.44 H new ATOM 0 HZ2 LYS A 23 9.294 32.366 -8.812 1.00 24.44 H new ATOM 0 HZ3 LYS A 23 10.760 33.007 -9.381 1.00 24.44 H new ATOM 373 N GLY A 24 16.545 31.350 -6.701 1.00 74.33 N ATOM 374 CA GLY A 24 17.897 31.792 -6.410 1.00 61.44 C ATOM 375 C GLY A 24 18.495 31.091 -5.205 1.00 53.43 C ATOM 376 O GLY A 24 19.410 31.613 -4.567 1.00 72.31 O ATOM 0 H GLY A 24 16.402 30.342 -6.640 1.00 74.33 H new ATOM 0 HA2 GLY A 24 18.529 31.613 -7.280 1.00 61.44 H new ATOM 0 HA3 GLY A 24 17.893 32.868 -6.235 1.00 61.44 H new ATOM 380 N TYR A 25 17.977 29.907 -4.893 1.00 2.32 N ATOM 381 CA TYR A 25 18.465 29.131 -3.757 1.00 35.14 C ATOM 382 C TYR A 25 19.138 27.845 -4.229 1.00 43.25 C ATOM 383 O TYR A 25 18.869 27.360 -5.329 1.00 11.33 O ATOM 384 CB TYR A 25 17.314 28.795 -2.804 1.00 14.21 C ATOM 385 CG TYR A 25 16.437 29.979 -2.452 1.00 22.42 C ATOM 386 CD1 TYR A 25 16.970 31.113 -1.851 1.00 51.14 C ATOM 387 CD2 TYR A 25 15.074 29.959 -2.720 1.00 42.50 C ATOM 388 CE1 TYR A 25 16.169 32.192 -1.527 1.00 21.22 C ATOM 389 CE2 TYR A 25 14.267 31.034 -2.400 1.00 54.30 C ATOM 390 CZ TYR A 25 14.819 32.147 -1.804 1.00 2.54 C ATOM 391 OH TYR A 25 14.018 33.220 -1.484 1.00 33.01 O ATOM 0 H TYR A 25 17.219 29.463 -5.411 1.00 2.32 H new ATOM 0 HA TYR A 25 19.200 29.736 -3.226 1.00 35.14 H new ATOM 0 HB2 TYR A 25 16.695 28.020 -3.257 1.00 14.21 H new ATOM 0 HB3 TYR A 25 17.727 28.377 -1.886 1.00 14.21 H new ATOM 0 HD1 TYR A 25 18.027 31.152 -1.634 1.00 51.14 H new ATOM 0 HD2 TYR A 25 14.638 29.088 -3.187 1.00 42.50 H new ATOM 0 HE1 TYR A 25 16.598 33.066 -1.059 1.00 21.22 H new ATOM 0 HE2 TYR A 25 13.209 31.002 -2.616 1.00 54.30 H new ATOM 0 HH TYR A 25 13.093 33.028 -1.746 1.00 33.01 H new ATOM 401 N SER A 26 20.012 27.296 -3.391 1.00 41.43 N ATOM 402 CA SER A 26 20.725 26.067 -3.725 1.00 44.31 C ATOM 403 C SER A 26 20.381 24.950 -2.743 1.00 31.30 C ATOM 404 O SER A 26 19.648 25.163 -1.776 1.00 53.54 O ATOM 405 CB SER A 26 22.237 26.312 -3.725 1.00 52.25 C ATOM 406 OG SER A 26 22.598 27.287 -4.689 1.00 64.20 O ATOM 0 H SER A 26 20.244 27.682 -2.476 1.00 41.43 H new ATOM 0 HA SER A 26 20.412 25.758 -4.722 1.00 44.31 H new ATOM 0 HB2 SER A 26 22.555 26.640 -2.735 1.00 52.25 H new ATOM 0 HB3 SER A 26 22.759 25.379 -3.935 1.00 52.25 H new ATOM 0 HG SER A 26 23.568 27.426 -4.667 1.00 64.20 H new ATOM 412 N TRP A 27 20.916 23.757 -2.999 1.00 61.20 N ATOM 413 CA TRP A 27 20.670 22.605 -2.137 1.00 53.30 C ATOM 414 C TRP A 27 21.849 22.356 -1.200 1.00 22.33 C ATOM 415 O TRP A 27 21.988 21.270 -0.635 1.00 44.40 O ATOM 416 CB TRP A 27 20.389 21.358 -2.976 1.00 4.15 C ATOM 417 CG TRP A 27 18.937 21.176 -3.296 1.00 14.02 C ATOM 418 CD1 TRP A 27 18.311 21.478 -4.470 1.00 22.51 C ATOM 419 CD2 TRP A 27 17.928 20.653 -2.424 1.00 54.12 C ATOM 420 NE1 TRP A 27 16.974 21.172 -4.383 1.00 34.12 N ATOM 421 CE2 TRP A 27 16.714 20.665 -3.137 1.00 11.52 C ATOM 422 CE3 TRP A 27 17.933 20.174 -1.110 1.00 53.32 C ATOM 423 CZ2 TRP A 27 15.519 20.217 -2.580 1.00 20.51 C ATOM 424 CZ3 TRP A 27 16.746 19.731 -0.558 1.00 40.24 C ATOM 425 CH2 TRP A 27 15.554 19.754 -1.292 1.00 31.43 C ATOM 0 H TRP A 27 21.522 23.564 -3.796 1.00 61.20 H new ATOM 0 HA TRP A 27 19.793 22.825 -1.528 1.00 53.30 H new ATOM 0 HB2 TRP A 27 20.954 21.419 -3.906 1.00 4.15 H new ATOM 0 HB3 TRP A 27 20.749 20.479 -2.441 1.00 4.15 H new ATOM 0 HD1 TRP A 27 18.795 21.896 -5.340 1.00 22.51 H new ATOM 0 HE1 TRP A 27 16.287 21.301 -5.126 1.00 34.12 H new ATOM 0 HE3 TRP A 27 18.848 20.151 -0.537 1.00 53.32 H new ATOM 0 HZ2 TRP A 27 14.598 20.234 -3.144 1.00 20.51 H new ATOM 0 HZ3 TRP A 27 16.738 19.361 0.457 1.00 40.24 H new ATOM 0 HH2 TRP A 27 14.643 19.399 -0.833 1.00 31.43 H new ATOM 436 N SER A 28 22.691 23.374 -1.033 1.00 32.31 N ATOM 437 CA SER A 28 23.854 23.277 -0.155 1.00 50.44 C ATOM 438 C SER A 28 23.465 23.586 1.289 1.00 42.24 C ATOM 439 O SER A 28 24.310 23.591 2.185 1.00 22.54 O ATOM 440 CB SER A 28 24.952 24.235 -0.620 1.00 22.54 C ATOM 441 OG SER A 28 25.353 23.947 -1.948 1.00 51.11 O ATOM 0 H SER A 28 22.589 24.277 -1.496 1.00 32.31 H new ATOM 0 HA SER A 28 24.234 22.256 -0.201 1.00 50.44 H new ATOM 0 HB2 SER A 28 24.592 25.262 -0.561 1.00 22.54 H new ATOM 0 HB3 SER A 28 25.811 24.159 0.047 1.00 22.54 H new ATOM 0 HG SER A 28 26.054 24.575 -2.221 1.00 51.11 H new ATOM 447 N GLN A 29 22.175 23.840 1.500 1.00 65.33 N ATOM 448 CA GLN A 29 21.648 24.149 2.824 1.00 12.55 C ATOM 449 C GLN A 29 21.565 22.886 3.678 1.00 40.41 C ATOM 450 O GLN A 29 21.797 22.923 4.887 1.00 71.43 O ATOM 451 CB GLN A 29 20.263 24.785 2.697 1.00 13.34 C ATOM 452 CG GLN A 29 20.219 25.957 1.727 1.00 42.43 C ATOM 453 CD GLN A 29 18.805 26.387 1.387 1.00 1.54 C ATOM 454 OE1 GLN A 29 17.876 25.578 1.395 1.00 23.32 O ATOM 455 NE2 GLN A 29 18.634 27.667 1.080 1.00 40.23 N ATOM 0 H GLN A 29 21.471 23.837 0.762 1.00 65.33 H new ATOM 0 HA GLN A 29 22.323 24.852 3.311 1.00 12.55 H new ATOM 0 HB2 GLN A 29 19.552 24.026 2.370 1.00 13.34 H new ATOM 0 HB3 GLN A 29 19.937 25.125 3.680 1.00 13.34 H new ATOM 0 HG2 GLN A 29 20.756 26.801 2.160 1.00 42.43 H new ATOM 0 HG3 GLN A 29 20.741 25.683 0.810 1.00 42.43 H new ATOM 0 HE21 GLN A 29 19.431 28.304 1.086 1.00 40.23 H new ATOM 0 HE22 GLN A 29 17.706 28.014 0.839 1.00 40.23 H new ATOM 464 N PHE A 30 21.233 21.768 3.034 1.00 24.33 N ATOM 465 CA PHE A 30 21.124 20.489 3.725 1.00 64.10 C ATOM 466 C PHE A 30 22.426 19.695 3.595 1.00 62.41 C ATOM 467 O PHE A 30 22.586 18.639 4.210 1.00 72.45 O ATOM 468 CB PHE A 30 19.944 19.683 3.168 1.00 0.40 C ATOM 469 CG PHE A 30 19.624 18.446 3.962 1.00 73.03 C ATOM 470 CD1 PHE A 30 19.443 18.515 5.336 1.00 30.11 C ATOM 471 CD2 PHE A 30 19.507 17.216 3.336 1.00 11.20 C ATOM 472 CE1 PHE A 30 19.152 17.380 6.068 1.00 23.22 C ATOM 473 CE2 PHE A 30 19.215 16.077 4.064 1.00 74.13 C ATOM 474 CZ PHE A 30 19.037 16.160 5.431 1.00 21.13 C ATOM 0 H PHE A 30 21.035 21.725 2.034 1.00 24.33 H new ATOM 0 HA PHE A 30 20.945 20.681 4.783 1.00 64.10 H new ATOM 0 HB2 PHE A 30 19.062 20.322 3.138 1.00 0.40 H new ATOM 0 HB3 PHE A 30 20.165 19.396 2.140 1.00 0.40 H new ATOM 0 HD1 PHE A 30 19.531 19.467 5.839 1.00 30.11 H new ATOM 0 HD2 PHE A 30 19.645 17.146 2.267 1.00 11.20 H new ATOM 0 HE1 PHE A 30 19.015 17.447 7.137 1.00 23.22 H new ATOM 0 HE2 PHE A 30 19.126 15.124 3.564 1.00 74.13 H new ATOM 0 HZ PHE A 30 18.808 15.272 6.001 1.00 21.13 H new ATOM 484 N SER A 31 23.357 20.216 2.794 1.00 32.32 N ATOM 485 CA SER A 31 24.650 19.566 2.593 1.00 50.21 C ATOM 486 C SER A 31 25.474 19.607 3.878 1.00 64.30 C ATOM 487 O SER A 31 26.245 18.690 4.164 1.00 12.40 O ATOM 488 CB SER A 31 25.416 20.244 1.455 1.00 63.34 C ATOM 489 OG SER A 31 26.660 19.605 1.221 1.00 12.04 O ATOM 0 H SER A 31 23.238 21.086 2.275 1.00 32.32 H new ATOM 0 HA SER A 31 24.473 18.524 2.325 1.00 50.21 H new ATOM 0 HB2 SER A 31 24.816 20.221 0.545 1.00 63.34 H new ATOM 0 HB3 SER A 31 25.584 21.293 1.700 1.00 63.34 H new ATOM 0 HG SER A 31 27.127 20.058 0.488 1.00 12.04 H new ATOM 781 N SER A 52 5.914 35.352 15.606 1.00 74.33 N ATOM 782 CA SER A 52 4.707 35.309 14.778 1.00 61.41 C ATOM 783 C SER A 52 4.914 36.058 13.463 1.00 74.22 C ATOM 784 O SER A 52 4.272 37.078 13.202 1.00 10.31 O ATOM 785 CB SER A 52 3.504 35.877 15.539 1.00 11.53 C ATOM 786 OG SER A 52 2.296 35.633 14.839 1.00 64.53 O ATOM 0 HA SER A 52 4.502 34.265 14.542 1.00 61.41 H new ATOM 0 HB2 SER A 52 3.451 35.426 16.530 1.00 11.53 H new ATOM 0 HB3 SER A 52 3.634 36.950 15.683 1.00 11.53 H new ATOM 0 HG SER A 52 1.544 36.004 15.346 1.00 64.53 H new ATOM 792 N ALA A 53 5.823 35.544 12.641 1.00 12.45 N ATOM 793 CA ALA A 53 6.123 36.151 11.351 1.00 52.14 C ATOM 794 C ALA A 53 5.580 35.299 10.207 1.00 64.14 C ATOM 795 O ALA A 53 5.777 35.617 9.033 1.00 13.30 O ATOM 796 CB ALA A 53 7.625 36.350 11.201 1.00 34.31 C ATOM 0 H ALA A 53 6.366 34.705 12.847 1.00 12.45 H new ATOM 0 HA ALA A 53 5.633 37.124 11.308 1.00 52.14 H new ATOM 0 HB1 ALA A 53 7.837 36.804 10.233 1.00 34.31 H new ATOM 0 HB2 ALA A 53 7.987 37.003 11.995 1.00 34.31 H new ATOM 0 HB3 ALA A 53 8.128 35.385 11.267 1.00 34.31 H new ATOM 802 N ILE A 54 4.888 34.218 10.559 1.00 15.24 N ATOM 803 CA ILE A 54 4.316 33.316 9.567 1.00 4.43 C ATOM 804 C ILE A 54 2.904 33.749 9.187 1.00 50.54 C ATOM 805 O ILE A 54 1.954 33.550 9.946 1.00 64.03 O ATOM 806 CB ILE A 54 4.283 31.862 10.084 1.00 44.13 C ATOM 807 CG1 ILE A 54 5.671 31.433 10.572 1.00 34.42 C ATOM 808 CG2 ILE A 54 3.782 30.920 8.999 1.00 34.42 C ATOM 809 CD1 ILE A 54 6.743 31.471 9.500 1.00 1.41 C ATOM 0 H ILE A 54 4.711 33.947 11.526 1.00 15.24 H new ATOM 0 HA ILE A 54 4.955 33.361 8.685 1.00 4.43 H new ATOM 0 HB ILE A 54 3.593 31.812 10.926 1.00 44.13 H new ATOM 0 HG12 ILE A 54 5.972 32.082 11.395 1.00 34.42 H new ATOM 0 HG13 ILE A 54 5.607 30.421 10.971 1.00 34.42 H new ATOM 0 HG21 ILE A 54 3.766 29.900 9.382 1.00 34.42 H new ATOM 0 HG22 ILE A 54 2.775 31.212 8.700 1.00 34.42 H new ATOM 0 HG23 ILE A 54 4.446 30.973 8.136 1.00 34.42 H new ATOM 0 HD11 ILE A 54 7.695 31.154 9.926 1.00 1.41 H new ATOM 0 HD12 ILE A 54 6.468 30.800 8.686 1.00 1.41 H new ATOM 0 HD13 ILE A 54 6.838 32.487 9.116 1.00 1.41 H new ATOM 821 N ASN A 55 2.781 34.352 8.008 1.00 54.25 N ATOM 822 CA ASN A 55 1.493 34.820 7.509 1.00 44.55 C ATOM 823 C ASN A 55 1.536 34.971 5.992 1.00 53.32 C ATOM 824 O ASN A 55 0.555 34.695 5.300 1.00 32.33 O ATOM 825 CB ASN A 55 1.125 36.157 8.162 1.00 64.24 C ATOM 826 CG ASN A 55 -0.306 36.573 7.876 1.00 15.45 C ATOM 827 OD1 ASN A 55 -1.234 36.153 8.566 1.00 13.12 O ATOM 828 ND2 ASN A 55 -0.490 37.408 6.858 1.00 60.33 N ATOM 0 H ASN A 55 3.563 34.528 7.378 1.00 54.25 H new ATOM 0 HA ASN A 55 0.732 34.083 7.766 1.00 44.55 H new ATOM 0 HB2 ASN A 55 1.269 36.082 9.240 1.00 64.24 H new ATOM 0 HB3 ASN A 55 1.803 36.931 7.803 1.00 64.24 H new ATOM 0 HD21 ASN A 55 -1.430 37.726 6.622 1.00 60.33 H new ATOM 0 HD22 ASN A 55 0.309 37.731 6.312 1.00 60.33 H new ATOM 835 N GLY A 56 2.685 35.408 5.486 1.00 51.01 N ATOM 836 CA GLY A 56 2.854 35.593 4.057 1.00 12.02 C ATOM 837 C GLY A 56 4.286 35.922 3.687 1.00 41.15 C ATOM 838 O GLY A 56 4.983 36.613 4.431 1.00 42.41 O ATOM 0 H GLY A 56 3.507 35.638 6.045 1.00 51.01 H new ATOM 0 HA2 GLY A 56 2.545 34.687 3.536 1.00 12.02 H new ATOM 0 HA3 GLY A 56 2.199 36.395 3.716 1.00 12.02 H new ATOM 842 N ASN A 57 4.728 35.424 2.537 1.00 70.35 N ATOM 843 CA ASN A 57 6.087 35.668 2.070 1.00 14.12 C ATOM 844 C ASN A 57 6.103 36.779 1.019 1.00 12.55 C ATOM 845 O ASN A 57 5.284 36.780 0.100 1.00 14.35 O ATOM 846 CB ASN A 57 6.680 34.376 1.498 1.00 40.43 C ATOM 847 CG ASN A 57 8.194 34.389 1.474 1.00 71.24 C ATOM 848 OD1 ASN A 57 8.841 34.081 2.472 1.00 25.14 O ATOM 849 ND2 ASN A 57 8.769 34.737 0.330 1.00 1.21 N ATOM 0 H ASN A 57 4.164 34.849 1.911 1.00 70.35 H new ATOM 0 HA ASN A 57 6.697 35.992 2.914 1.00 14.12 H new ATOM 0 HB2 ASN A 57 6.337 33.529 2.093 1.00 40.43 H new ATOM 0 HB3 ASN A 57 6.306 34.226 0.485 1.00 40.43 H new ATOM 0 HD21 ASN A 57 9.786 34.756 0.255 1.00 1.21 H new ATOM 0 HD22 ASN A 57 8.194 34.986 -0.475 1.00 1.21 H new ATOM 856 N PRO A 58 7.032 37.750 1.151 1.00 4.21 N ATOM 857 CA PRO A 58 7.149 38.872 0.205 1.00 14.42 C ATOM 858 C PRO A 58 7.533 38.424 -1.206 1.00 2.13 C ATOM 859 O PRO A 58 7.109 39.026 -2.193 1.00 0.21 O ATOM 860 CB PRO A 58 8.258 39.742 0.810 1.00 72.54 C ATOM 861 CG PRO A 58 9.015 38.845 1.727 1.00 33.21 C ATOM 862 CD PRO A 58 8.027 37.836 2.238 1.00 42.52 C ATOM 0 HA PRO A 58 6.198 39.391 0.083 1.00 14.42 H new ATOM 0 HB2 PRO A 58 8.907 40.146 0.033 1.00 72.54 H new ATOM 0 HB3 PRO A 58 7.839 40.591 1.350 1.00 72.54 H new ATOM 0 HG2 PRO A 58 9.835 38.355 1.203 1.00 33.21 H new ATOM 0 HG3 PRO A 58 9.454 39.410 2.549 1.00 33.21 H new ATOM 0 HD2 PRO A 58 8.499 36.872 2.428 1.00 42.52 H new ATOM 0 HD3 PRO A 58 7.572 38.158 3.175 1.00 42.52 H new ATOM 870 N SER A 59 8.335 37.366 -1.293 1.00 22.34 N ATOM 871 CA SER A 59 8.772 36.834 -2.580 1.00 32.21 C ATOM 872 C SER A 59 8.000 35.565 -2.934 1.00 3.10 C ATOM 873 O SER A 59 8.575 34.591 -3.422 1.00 60.44 O ATOM 874 CB SER A 59 10.274 36.539 -2.545 1.00 2.30 C ATOM 875 OG SER A 59 11.021 37.716 -2.291 1.00 74.44 O ATOM 0 H SER A 59 8.696 36.859 -0.485 1.00 22.34 H new ATOM 0 HA SER A 59 8.572 37.584 -3.345 1.00 32.21 H new ATOM 0 HB2 SER A 59 10.484 35.798 -1.774 1.00 2.30 H new ATOM 0 HB3 SER A 59 10.585 36.106 -3.496 1.00 2.30 H new ATOM 0 HG SER A 59 11.977 37.499 -2.272 1.00 74.44 H new ATOM 881 N TRP A 60 6.692 35.583 -2.691 1.00 54.22 N ATOM 882 CA TRP A 60 5.849 34.430 -2.982 1.00 73.23 C ATOM 883 C TRP A 60 5.203 34.552 -4.358 1.00 21.41 C ATOM 884 O TRP A 60 4.239 35.297 -4.541 1.00 4.11 O ATOM 885 CB TRP A 60 4.765 34.272 -1.913 1.00 72.33 C ATOM 886 CG TRP A 60 4.255 32.866 -1.776 1.00 64.10 C ATOM 887 CD1 TRP A 60 4.461 31.829 -2.641 1.00 5.03 C ATOM 888 CD2 TRP A 60 3.451 32.344 -0.712 1.00 71.35 C ATOM 889 NE1 TRP A 60 3.835 30.697 -2.181 1.00 45.43 N ATOM 890 CE2 TRP A 60 3.209 30.986 -0.999 1.00 14.41 C ATOM 891 CE3 TRP A 60 2.913 32.890 0.456 1.00 2.32 C ATOM 892 CZ2 TRP A 60 2.452 30.171 -0.161 1.00 3.23 C ATOM 893 CZ3 TRP A 60 2.162 32.080 1.285 1.00 0.13 C ATOM 894 CH2 TRP A 60 1.939 30.733 0.974 1.00 54.24 C ATOM 0 H TRP A 60 6.196 36.381 -2.295 1.00 54.22 H new ATOM 0 HA TRP A 60 6.486 33.546 -2.977 1.00 73.23 H new ATOM 0 HB2 TRP A 60 5.163 34.600 -0.953 1.00 72.33 H new ATOM 0 HB3 TRP A 60 3.930 34.930 -2.154 1.00 72.33 H new ATOM 0 HD1 TRP A 60 5.034 31.891 -3.555 1.00 5.03 H new ATOM 0 HE1 TRP A 60 3.836 29.789 -2.645 1.00 45.43 H new ATOM 0 HE3 TRP A 60 3.081 33.927 0.706 1.00 2.32 H new ATOM 0 HZ2 TRP A 60 2.277 29.132 -0.400 1.00 3.23 H new ATOM 0 HZ3 TRP A 60 1.739 32.493 2.189 1.00 0.13 H new ATOM 0 HH2 TRP A 60 1.349 30.126 1.645 1.00 54.24 H new ATOM 905 N HIS A 61 5.750 33.820 -5.323 1.00 25.52 N ATOM 906 CA HIS A 61 5.226 33.820 -6.683 1.00 54.03 C ATOM 907 C HIS A 61 5.488 32.473 -7.355 1.00 24.45 C ATOM 908 O HIS A 61 4.555 31.829 -7.833 1.00 34.41 O ATOM 909 CB HIS A 61 5.811 34.980 -7.515 1.00 24.23 C ATOM 910 CG HIS A 61 7.310 35.089 -7.497 1.00 61.24 C ATOM 911 ND1 HIS A 61 8.021 35.547 -6.408 1.00 12.42 N ATOM 912 CD2 HIS A 61 8.228 34.810 -8.452 1.00 32.11 C ATOM 913 CE1 HIS A 61 9.311 35.546 -6.695 1.00 74.03 C ATOM 914 NE2 HIS A 61 9.462 35.103 -7.928 1.00 73.22 N ATOM 0 H HIS A 61 6.561 33.216 -5.186 1.00 25.52 H new ATOM 0 HA HIS A 61 4.148 33.974 -6.629 1.00 54.03 H new ATOM 0 HB2 HIS A 61 5.484 34.866 -8.548 1.00 24.23 H new ATOM 0 HB3 HIS A 61 5.390 35.917 -7.149 1.00 24.23 H new ATOM 0 HD2 HIS A 61 8.027 34.428 -9.442 1.00 32.11 H new ATOM 0 HE1 HIS A 61 10.106 35.855 -6.033 1.00 74.03 H new ATOM 0 HE2 HIS A 61 10.352 34.995 -8.414 1.00 73.22 H new ATOM 923 N LEU A 62 6.761 32.056 -7.370 1.00 60.23 N ATOM 924 CA LEU A 62 7.183 30.780 -7.966 1.00 53.32 C ATOM 925 C LEU A 62 6.930 30.731 -9.476 1.00 64.45 C ATOM 926 O LEU A 62 6.085 31.456 -10.005 1.00 4.12 O ATOM 927 CB LEU A 62 6.491 29.595 -7.278 1.00 60.31 C ATOM 928 CG LEU A 62 7.146 29.115 -5.978 1.00 5.22 C ATOM 929 CD1 LEU A 62 6.904 30.103 -4.847 1.00 43.25 C ATOM 930 CD2 LEU A 62 6.624 27.740 -5.597 1.00 53.32 C ATOM 0 H LEU A 62 7.529 32.594 -6.969 1.00 60.23 H new ATOM 0 HA LEU A 62 8.259 30.704 -7.809 1.00 53.32 H new ATOM 0 HB2 LEU A 62 5.459 29.873 -7.064 1.00 60.31 H new ATOM 0 HB3 LEU A 62 6.457 28.760 -7.978 1.00 60.31 H new ATOM 0 HG LEU A 62 8.221 29.048 -6.147 1.00 5.22 H new ATOM 0 HD11 LEU A 62 7.379 29.738 -3.937 1.00 43.25 H new ATOM 0 HD12 LEU A 62 7.327 31.072 -5.113 1.00 43.25 H new ATOM 0 HD13 LEU A 62 5.832 30.209 -4.679 1.00 43.25 H new ATOM 0 HD21 LEU A 62 7.099 27.414 -4.672 1.00 53.32 H new ATOM 0 HD22 LEU A 62 5.545 27.788 -5.453 1.00 53.32 H new ATOM 0 HD23 LEU A 62 6.853 27.031 -6.392 1.00 53.32 H new ATOM 942 N ALA A 63 7.687 29.868 -10.161 1.00 74.21 N ATOM 943 CA ALA A 63 7.566 29.696 -11.609 1.00 61.02 C ATOM 944 C ALA A 63 7.749 31.024 -12.349 1.00 53.04 C ATOM 945 O ALA A 63 8.574 31.853 -11.960 1.00 15.12 O ATOM 946 CB ALA A 63 6.222 29.061 -11.950 1.00 32.44 C ATOM 0 H ALA A 63 8.395 29.274 -9.730 1.00 74.21 H new ATOM 0 HA ALA A 63 8.362 29.029 -11.941 1.00 61.02 H new ATOM 0 HB1 ALA A 63 6.142 28.937 -13.030 1.00 32.44 H new ATOM 0 HB2 ALA A 63 6.147 28.087 -11.466 1.00 32.44 H new ATOM 0 HB3 ALA A 63 5.416 29.704 -11.598 1.00 32.44 H new ATOM 952 N ASP A 64 6.985 31.216 -13.421 1.00 13.50 N ATOM 953 CA ASP A 64 7.060 32.443 -14.205 1.00 61.22 C ATOM 954 C ASP A 64 5.875 33.353 -13.892 1.00 52.13 C ATOM 955 O ASP A 64 4.719 32.972 -14.081 1.00 50.40 O ATOM 956 CB ASP A 64 7.098 32.121 -15.700 1.00 24.33 C ATOM 957 CG ASP A 64 8.403 31.471 -16.119 1.00 12.13 C ATOM 958 OD1 ASP A 64 8.519 30.234 -15.993 1.00 72.03 O ATOM 959 OD2 ASP A 64 9.309 32.201 -16.574 1.00 51.52 O1- ATOM 0 H ASP A 64 6.307 30.537 -13.766 1.00 13.50 H new ATOM 0 HA ASP A 64 7.979 32.965 -13.937 1.00 61.22 H new ATOM 0 HB2 ASP A 64 6.269 31.458 -15.947 1.00 24.33 H new ATOM 0 HB3 ASP A 64 6.953 33.039 -16.270 1.00 24.33 H new ATOM 964 N GLU A 65 6.174 34.554 -13.405 1.00 54.02 N ATOM 965 CA GLU A 65 5.136 35.523 -13.061 1.00 23.21 C ATOM 966 C GLU A 65 4.788 36.436 -14.250 1.00 24.42 C ATOM 967 O GLU A 65 3.618 36.522 -14.626 1.00 2.34 O ATOM 968 CB GLU A 65 5.556 36.350 -11.838 1.00 35.22 C ATOM 969 CG GLU A 65 4.507 37.353 -11.385 1.00 42.51 C ATOM 970 CD GLU A 65 4.952 38.157 -10.179 1.00 74.11 C ATOM 971 OE1 GLU A 65 5.652 39.173 -10.369 1.00 14.14 O ATOM 972 OE2 GLU A 65 4.600 37.770 -9.045 1.00 65.12 O1- ATOM 0 H GLU A 65 7.126 34.880 -13.239 1.00 54.02 H new ATOM 0 HA GLU A 65 4.234 34.965 -12.810 1.00 23.21 H new ATOM 0 HB2 GLU A 65 5.778 35.674 -11.013 1.00 35.22 H new ATOM 0 HB3 GLU A 65 6.478 36.883 -12.071 1.00 35.22 H new ATOM 0 HG2 GLU A 65 4.281 38.032 -12.207 1.00 42.51 H new ATOM 0 HG3 GLU A 65 3.584 36.825 -11.145 1.00 42.51 H new ATOM 979 N PRO A 66 5.778 37.135 -14.866 1.00 43.01 N ATOM 980 CA PRO A 66 5.507 38.022 -16.010 1.00 13.12 C ATOM 981 C PRO A 66 5.109 37.253 -17.270 1.00 4.25 C ATOM 982 O PRO A 66 4.282 37.717 -18.055 1.00 42.32 O ATOM 983 CB PRO A 66 6.838 38.748 -16.224 1.00 70.11 C ATOM 984 CG PRO A 66 7.871 37.839 -15.660 1.00 54.50 C ATOM 985 CD PRO A 66 7.216 37.133 -14.508 1.00 23.15 C ATOM 0 HA PRO A 66 4.668 38.690 -15.812 1.00 13.12 H new ATOM 0 HB2 PRO A 66 7.017 38.939 -17.282 1.00 70.11 H new ATOM 0 HB3 PRO A 66 6.845 39.714 -15.720 1.00 70.11 H new ATOM 0 HG2 PRO A 66 8.215 37.126 -16.410 1.00 54.50 H new ATOM 0 HG3 PRO A 66 8.745 38.400 -15.328 1.00 54.50 H new ATOM 0 HD2 PRO A 66 7.598 36.119 -14.391 1.00 23.15 H new ATOM 0 HD3 PRO A 66 7.395 37.652 -13.566 1.00 23.15 H new ATOM 993 N ALA A 67 5.701 36.076 -17.452 1.00 24.23 N ATOM 994 CA ALA A 67 5.412 35.241 -18.611 1.00 34.21 C ATOM 995 C ALA A 67 4.733 33.942 -18.190 1.00 64.33 C ATOM 996 O ALA A 67 4.458 33.731 -17.008 1.00 15.33 O ATOM 997 CB ALA A 67 6.693 34.948 -19.378 1.00 61.20 C ATOM 0 H ALA A 67 6.386 35.679 -16.809 1.00 24.23 H new ATOM 0 HA ALA A 67 4.728 35.783 -19.263 1.00 34.21 H new ATOM 0 HB1 ALA A 67 6.465 34.323 -20.242 1.00 61.20 H new ATOM 0 HB2 ALA A 67 7.138 35.884 -19.715 1.00 61.20 H new ATOM 0 HB3 ALA A 67 7.395 34.426 -18.728 1.00 61.20 H new ATOM 1003 N VAL A 68 4.459 33.075 -19.162 1.00 24.33 N ATOM 1004 CA VAL A 68 3.814 31.796 -18.886 1.00 52.42 C ATOM 1005 C VAL A 68 4.138 30.769 -19.976 1.00 54.54 C ATOM 1006 O VAL A 68 4.084 31.069 -21.170 1.00 22.13 O ATOM 1007 CB VAL A 68 2.279 31.959 -18.739 1.00 52.45 C ATOM 1008 CG1 VAL A 68 1.654 32.503 -20.017 1.00 33.15 C ATOM 1009 CG2 VAL A 68 1.627 30.643 -18.337 1.00 71.52 C ATOM 0 H VAL A 68 4.674 33.236 -20.146 1.00 24.33 H new ATOM 0 HA VAL A 68 4.209 31.430 -17.939 1.00 52.42 H new ATOM 0 HB VAL A 68 2.100 32.684 -17.945 1.00 52.45 H new ATOM 0 HG11 VAL A 68 0.577 32.605 -19.881 1.00 33.15 H new ATOM 0 HG12 VAL A 68 2.085 33.477 -20.247 1.00 33.15 H new ATOM 0 HG13 VAL A 68 1.852 31.816 -20.840 1.00 33.15 H new ATOM 0 HG21 VAL A 68 0.551 30.785 -18.241 1.00 71.52 H new ATOM 0 HG22 VAL A 68 1.827 29.890 -19.099 1.00 71.52 H new ATOM 0 HG23 VAL A 68 2.036 30.311 -17.383 1.00 71.52 H new ATOM 1019 N ASN A 69 4.498 29.561 -19.550 1.00 12.52 N ATOM 1020 CA ASN A 69 4.831 28.482 -20.477 1.00 62.31 C ATOM 1021 C ASN A 69 3.615 27.598 -20.745 1.00 52.35 C ATOM 1022 O ASN A 69 2.587 27.719 -20.079 1.00 12.14 O ATOM 1023 CB ASN A 69 5.977 27.636 -19.916 1.00 64.52 C ATOM 1024 CG ASN A 69 7.271 28.417 -19.796 1.00 44.03 C ATOM 1025 OD1 ASN A 69 7.538 29.045 -18.772 1.00 1.12 O ATOM 1026 ND2 ASN A 69 8.084 28.380 -20.845 1.00 14.02 N ATOM 0 H ASN A 69 4.567 29.304 -18.565 1.00 12.52 H new ATOM 0 HA ASN A 69 5.146 28.931 -21.419 1.00 62.31 H new ATOM 0 HB2 ASN A 69 5.695 27.253 -18.935 1.00 64.52 H new ATOM 0 HB3 ASN A 69 6.136 26.772 -20.561 1.00 64.52 H new ATOM 0 HD21 ASN A 69 8.970 28.885 -20.822 1.00 14.02 H new ATOM 0 HD22 ASN A 69 7.823 27.846 -21.674 1.00 14.02 H new ATOM 1033 N GLY A 70 3.742 26.707 -21.725 1.00 41.10 N ATOM 1034 CA GLY A 70 2.649 25.814 -22.064 1.00 22.11 C ATOM 1035 C GLY A 70 2.830 24.430 -21.472 1.00 22.11 C ATOM 1036 O GLY A 70 2.337 24.145 -20.381 1.00 72.54 O ATOM 0 H GLY A 70 4.583 26.588 -22.290 1.00 41.10 H new ATOM 0 HA2 GLY A 70 1.711 26.240 -21.707 1.00 22.11 H new ATOM 0 HA3 GLY A 70 2.570 25.735 -23.148 1.00 22.11 H new ATOM 1040 N ALA A 71 3.540 23.570 -22.199 1.00 32.52 N ATOM 1041 CA ALA A 71 3.796 22.205 -21.750 1.00 73.22 C ATOM 1042 C ALA A 71 5.100 21.674 -22.341 1.00 30.32 C ATOM 1043 O ALA A 71 5.350 20.467 -22.339 1.00 20.43 O ATOM 1044 CB ALA A 71 2.633 21.297 -22.128 1.00 43.24 C ATOM 0 H ALA A 71 3.949 23.797 -23.105 1.00 32.52 H new ATOM 0 HA ALA A 71 3.894 22.215 -20.664 1.00 73.22 H new ATOM 0 HB1 ALA A 71 2.838 20.282 -21.787 1.00 43.24 H new ATOM 0 HB2 ALA A 71 1.720 21.661 -21.657 1.00 43.24 H new ATOM 0 HB3 ALA A 71 2.508 21.297 -23.211 1.00 43.24 H new ATOM 1050 N THR A 72 5.931 22.588 -22.840 1.00 74.51 N ATOM 1051 CA THR A 72 7.211 22.223 -23.440 1.00 32.31 C ATOM 1052 C THR A 72 8.234 21.828 -22.376 1.00 34.30 C ATOM 1053 O THR A 72 8.473 22.566 -21.419 1.00 52.30 O ATOM 1054 CB THR A 72 7.779 23.372 -24.306 1.00 41.01 C ATOM 1055 OG1 THR A 72 9.136 23.091 -24.671 1.00 34.24 O ATOM 1056 CG2 THR A 72 7.713 24.707 -23.573 1.00 71.34 C ATOM 0 H THR A 72 5.739 23.590 -22.840 1.00 74.51 H new ATOM 0 HA THR A 72 7.023 21.362 -24.082 1.00 32.31 H new ATOM 0 HB THR A 72 7.166 23.444 -25.204 1.00 41.01 H new ATOM 0 HG1 THR A 72 9.485 23.824 -25.220 1.00 34.24 H new ATOM 0 HG21 THR A 72 8.120 25.492 -24.210 1.00 71.34 H new ATOM 0 HG22 THR A 72 6.676 24.938 -23.330 1.00 71.34 H new ATOM 0 HG23 THR A 72 8.296 24.647 -22.654 1.00 71.34 H new ATOM 1064 N GLY A 73 8.831 20.652 -22.552 1.00 71.44 N ATOM 1065 CA GLY A 73 9.818 20.168 -21.604 1.00 14.10 C ATOM 1066 C GLY A 73 9.398 18.872 -20.936 1.00 53.25 C ATOM 1067 O GLY A 73 10.074 18.390 -20.028 1.00 51.51 O ATOM 0 H GLY A 73 8.648 20.025 -23.336 1.00 71.44 H new ATOM 0 HA2 GLY A 73 10.767 20.017 -22.118 1.00 14.10 H new ATOM 0 HA3 GLY A 73 9.987 20.928 -20.841 1.00 14.10 H new ATOM 1071 N HIS A 74 8.276 18.311 -21.383 1.00 3.13 N ATOM 1072 CA HIS A 74 7.769 17.061 -20.825 1.00 25.33 C ATOM 1073 C HIS A 74 8.384 15.867 -21.551 1.00 21.44 C ATOM 1074 O HIS A 74 8.866 14.925 -20.923 1.00 51.01 O ATOM 1075 CB HIS A 74 6.241 17.011 -20.929 1.00 20.21 C ATOM 1076 CG HIS A 74 5.591 16.146 -19.890 1.00 74.00 C ATOM 1077 ND1 HIS A 74 5.765 14.779 -19.829 1.00 3.44 N ATOM 1078 CD2 HIS A 74 4.766 16.462 -18.863 1.00 2.52 C ATOM 1079 CE1 HIS A 74 5.076 14.294 -18.813 1.00 10.44 C ATOM 1080 NE2 HIS A 74 4.462 15.294 -18.209 1.00 13.23 N ATOM 0 H HIS A 74 7.702 18.703 -22.129 1.00 3.13 H new ATOM 0 HA HIS A 74 8.050 17.014 -19.773 1.00 25.33 H new ATOM 0 HB2 HIS A 74 5.847 18.024 -20.843 1.00 20.21 H new ATOM 0 HB3 HIS A 74 5.965 16.644 -21.918 1.00 20.21 H new ATOM 0 HD1 HIS A 74 6.337 14.229 -20.469 1.00 3.44 H new ATOM 0 HD2 HIS A 74 4.413 17.450 -18.606 1.00 2.52 H new ATOM 0 HE1 HIS A 74 5.024 13.255 -18.525 1.00 10.44 H new ATOM 1089 N SER A 75 8.369 15.924 -22.881 1.00 22.24 N ATOM 1090 CA SER A 75 8.924 14.854 -23.706 1.00 71.32 C ATOM 1091 C SER A 75 10.433 15.025 -23.880 1.00 3.04 C ATOM 1092 O SER A 75 11.122 14.116 -24.342 1.00 40.42 O ATOM 1093 CB SER A 75 8.235 14.835 -25.073 1.00 64.34 C ATOM 1094 OG SER A 75 8.681 13.745 -25.860 1.00 61.11 O ATOM 0 H SER A 75 7.977 16.702 -23.411 1.00 22.24 H new ATOM 0 HA SER A 75 8.745 13.904 -23.202 1.00 71.32 H new ATOM 0 HB2 SER A 75 7.155 14.770 -24.937 1.00 64.34 H new ATOM 0 HB3 SER A 75 8.435 15.770 -25.596 1.00 64.34 H new ATOM 0 HG SER A 75 9.594 13.504 -25.597 1.00 61.11 H new ATOM 1100 N SER A 76 10.939 16.196 -23.500 1.00 54.44 N ATOM 1101 CA SER A 76 12.364 16.491 -23.609 1.00 15.10 C ATOM 1102 C SER A 76 13.135 15.922 -22.418 1.00 53.35 C ATOM 1103 O SER A 76 14.347 15.713 -22.493 1.00 23.24 O ATOM 1104 CB SER A 76 12.584 18.003 -23.702 1.00 73.21 C ATOM 1105 OG SER A 76 13.938 18.309 -23.986 1.00 73.30 O ATOM 0 H SER A 76 10.381 16.957 -23.113 1.00 54.44 H new ATOM 0 HA SER A 76 12.740 16.018 -24.516 1.00 15.10 H new ATOM 0 HB2 SER A 76 11.944 18.419 -24.480 1.00 73.21 H new ATOM 0 HB3 SER A 76 12.292 18.474 -22.763 1.00 73.21 H new ATOM 0 HG SER A 76 14.049 19.281 -24.041 1.00 73.30 H new ATOM 1111 N SER A 77 12.423 15.669 -21.320 1.00 50.20 N ATOM 1112 CA SER A 77 13.038 15.123 -20.113 1.00 40.52 C ATOM 1113 C SER A 77 13.253 13.615 -20.239 1.00 25.42 C ATOM 1114 O SER A 77 14.385 13.142 -20.145 1.00 12.15 O ATOM 1115 CB SER A 77 12.173 15.428 -18.888 1.00 12.03 C ATOM 1116 OG SER A 77 12.156 16.817 -18.605 1.00 2.11 O ATOM 0 H SER A 77 11.419 15.834 -21.243 1.00 50.20 H new ATOM 0 HA SER A 77 14.011 15.599 -19.988 1.00 40.52 H new ATOM 0 HB2 SER A 77 11.156 15.077 -19.062 1.00 12.03 H new ATOM 0 HB3 SER A 77 12.555 14.883 -18.025 1.00 12.03 H new ATOM 0 HG SER A 77 11.441 17.247 -19.119 1.00 2.11 H new ATOM 1122 N LEU A 78 12.151 12.880 -20.453 1.00 45.32 N ATOM 1123 CA LEU A 78 12.172 11.416 -20.602 1.00 1.43 C ATOM 1124 C LEU A 78 12.544 10.711 -19.294 1.00 1.33 C ATOM 1125 O LEU A 78 11.667 10.224 -18.581 1.00 32.03 O ATOM 1126 CB LEU A 78 13.125 10.985 -21.726 1.00 62.23 C ATOM 1127 CG LEU A 78 12.687 11.374 -23.140 1.00 4.35 C ATOM 1128 CD1 LEU A 78 13.762 11.004 -24.150 1.00 12.55 C ATOM 1129 CD2 LEU A 78 11.367 10.704 -23.497 1.00 53.04 C ATOM 0 H LEU A 78 11.218 13.285 -20.528 1.00 45.32 H new ATOM 0 HA LEU A 78 11.159 11.113 -20.868 1.00 1.43 H new ATOM 0 HB2 LEU A 78 14.106 11.420 -21.535 1.00 62.23 H new ATOM 0 HB3 LEU A 78 13.243 9.902 -21.685 1.00 62.23 H new ATOM 0 HG LEU A 78 12.542 12.454 -23.169 1.00 4.35 H new ATOM 0 HD11 LEU A 78 13.434 11.287 -25.150 1.00 12.55 H new ATOM 0 HD12 LEU A 78 14.685 11.530 -23.908 1.00 12.55 H new ATOM 0 HD13 LEU A 78 13.938 9.929 -24.117 1.00 12.55 H new ATOM 0 HD21 LEU A 78 11.073 10.994 -24.506 1.00 53.04 H new ATOM 0 HD22 LEU A 78 11.484 9.621 -23.450 1.00 53.04 H new ATOM 0 HD23 LEU A 78 10.598 11.017 -22.791 1.00 53.04 H new ATOM 1141 N ASP A 79 13.848 10.648 -19.000 1.00 4.20 N ATOM 1142 CA ASP A 79 14.355 10.003 -17.784 1.00 44.32 C ATOM 1143 C ASP A 79 13.986 8.519 -17.742 1.00 33.32 C ATOM 1144 O ASP A 79 13.799 7.944 -16.668 1.00 63.14 O ATOM 1145 CB ASP A 79 13.826 10.714 -16.532 1.00 21.32 C ATOM 1146 CG ASP A 79 14.287 12.155 -16.440 1.00 24.35 C ATOM 1147 OD1 ASP A 79 15.463 12.381 -16.083 1.00 44.45 O ATOM 1148 OD2 ASP A 79 13.472 13.058 -16.721 1.00 14.03 O1- ATOM 0 H ASP A 79 14.578 11.041 -19.595 1.00 4.20 H new ATOM 0 HA ASP A 79 15.442 10.081 -17.801 1.00 44.32 H new ATOM 0 HB2 ASP A 79 12.736 10.685 -16.535 1.00 21.32 H new ATOM 0 HB3 ASP A 79 14.157 10.174 -15.645 1.00 21.32 H new ATOM 1153 N ALA A 80 13.897 7.901 -18.919 1.00 3.21 N ATOM 1154 CA ALA A 80 13.553 6.487 -19.023 1.00 40.04 C ATOM 1155 C ALA A 80 14.808 5.618 -19.089 1.00 24.34 C ATOM 1156 O ALA A 80 14.756 4.467 -19.523 1.00 30.50 O ATOM 1157 CB ALA A 80 12.679 6.251 -20.247 1.00 74.44 C ATOM 0 H ALA A 80 14.059 8.360 -19.815 1.00 3.21 H new ATOM 0 HA ALA A 80 12.997 6.204 -18.129 1.00 40.04 H new ATOM 0 HB1 ALA A 80 12.428 5.193 -20.316 1.00 74.44 H new ATOM 0 HB2 ALA A 80 11.764 6.836 -20.159 1.00 74.44 H new ATOM 0 HB3 ALA A 80 13.219 6.555 -21.144 1.00 74.44 H new ATOM 1163 N ARG A 81 15.931 6.180 -18.645 1.00 45.31 N ATOM 1164 CA ARG A 81 17.207 5.472 -18.646 1.00 23.14 C ATOM 1165 C ARG A 81 17.199 4.336 -17.623 1.00 60.05 C ATOM 1166 O ARG A 81 17.639 3.223 -17.913 1.00 31.14 O ATOM 1167 CB ARG A 81 18.346 6.449 -18.338 1.00 43.53 C ATOM 1168 CG ARG A 81 19.734 5.873 -18.570 1.00 62.34 C ATOM 1169 CD ARG A 81 20.071 5.793 -20.051 1.00 33.32 C ATOM 1170 NE ARG A 81 21.431 5.304 -20.272 1.00 51.30 N ATOM 1171 CZ ARG A 81 22.198 5.676 -21.296 1.00 65.54 C ATOM 1172 NH1 ARG A 81 21.744 6.539 -22.196 1.00 5.44 N1+ ATOM 1173 NH2 ARG A 81 23.424 5.186 -21.416 1.00 2.11 N ATOM 0 H ARG A 81 15.981 7.130 -18.278 1.00 45.31 H new ATOM 0 HA ARG A 81 17.362 5.041 -19.635 1.00 23.14 H new ATOM 0 HB2 ARG A 81 18.225 7.339 -18.956 1.00 43.53 H new ATOM 0 HB3 ARG A 81 18.266 6.769 -17.299 1.00 43.53 H new ATOM 0 HG2 ARG A 81 20.474 6.491 -18.062 1.00 62.34 H new ATOM 0 HG3 ARG A 81 19.793 4.878 -18.129 1.00 62.34 H new ATOM 0 HD2 ARG A 81 19.362 5.133 -20.550 1.00 33.32 H new ATOM 0 HD3 ARG A 81 19.961 6.779 -20.503 1.00 33.32 H new ATOM 0 HE ARG A 81 21.816 4.638 -19.602 1.00 51.30 H new ATOM 0 HH11 ARG A 81 20.803 6.922 -22.106 1.00 5.44 H new ATOM 0 HH12 ARG A 81 22.336 6.820 -22.978 1.00 5.44 H new ATOM 0 HH21 ARG A 81 23.779 4.525 -20.725 1.00 2.11 H new ATOM 0 HH22 ARG A 81 24.012 5.470 -22.199 1.00 2.11 H new ATOM 1187 N GLU A 82 16.691 4.627 -16.427 1.00 70.12 N ATOM 1188 CA GLU A 82 16.621 3.634 -15.359 1.00 23.31 C ATOM 1189 C GLU A 82 15.222 3.031 -15.258 1.00 4.31 C ATOM 1190 O GLU A 82 15.020 2.045 -14.549 1.00 72.35 O ATOM 1191 CB GLU A 82 17.006 4.260 -14.013 1.00 20.40 C ATOM 1192 CG GLU A 82 18.507 4.350 -13.775 1.00 15.22 C ATOM 1193 CD GLU A 82 19.166 5.460 -14.570 1.00 12.33 C ATOM 1194 OE1 GLU A 82 18.774 6.633 -14.391 1.00 34.55 O ATOM 1195 OE2 GLU A 82 20.077 5.157 -15.368 1.00 22.15 O1- ATOM 0 H GLU A 82 16.322 5.543 -16.174 1.00 70.12 H new ATOM 0 HA GLU A 82 17.328 2.840 -15.602 1.00 23.31 H new ATOM 0 HB2 GLU A 82 16.579 5.261 -13.955 1.00 20.40 H new ATOM 0 HB3 GLU A 82 16.556 3.675 -13.211 1.00 20.40 H new ATOM 0 HG2 GLU A 82 18.692 4.512 -12.713 1.00 15.22 H new ATOM 0 HG3 GLU A 82 18.969 3.398 -14.038 1.00 15.22 H new ATOM 1202 N VAL A 83 14.267 3.625 -15.986 1.00 0.31 N ATOM 1203 CA VAL A 83 12.871 3.173 -15.981 1.00 11.23 C ATOM 1204 C VAL A 83 12.313 3.201 -14.549 1.00 23.34 C ATOM 1205 O VAL A 83 12.467 4.210 -13.863 1.00 54.21 O ATOM 1206 CB VAL A 83 12.706 1.760 -16.606 1.00 21.33 C ATOM 1207 CG1 VAL A 83 11.275 1.546 -17.088 1.00 15.22 C ATOM 1208 CG2 VAL A 83 13.680 1.551 -17.759 1.00 54.14 C ATOM 0 H VAL A 83 14.440 4.428 -16.591 1.00 0.31 H new ATOM 0 HA VAL A 83 12.301 3.863 -16.603 1.00 11.23 H new ATOM 0 HB VAL A 83 12.929 1.028 -15.830 1.00 21.33 H new ATOM 0 HG11 VAL A 83 11.182 0.550 -17.522 1.00 15.22 H new ATOM 0 HG12 VAL A 83 10.589 1.640 -16.246 1.00 15.22 H new ATOM 0 HG13 VAL A 83 11.029 2.294 -17.841 1.00 15.22 H new ATOM 0 HG21 VAL A 83 13.541 0.554 -18.176 1.00 54.14 H new ATOM 0 HG22 VAL A 83 13.494 2.297 -18.532 1.00 54.14 H new ATOM 0 HG23 VAL A 83 14.702 1.653 -17.395 1.00 54.14 H new ATOM 1218 N ILE A 84 11.677 2.092 -14.119 1.00 35.11 N ATOM 1219 CA ILE A 84 11.083 1.935 -12.769 1.00 61.14 C ATOM 1220 C ILE A 84 10.085 3.058 -12.407 1.00 21.13 C ATOM 1221 O ILE A 84 9.980 4.065 -13.108 1.00 13.15 O ATOM 1222 CB ILE A 84 12.169 1.780 -11.658 1.00 74.23 C ATOM 1223 CG1 ILE A 84 12.754 3.133 -11.232 1.00 62.43 C ATOM 1224 CG2 ILE A 84 13.275 0.841 -12.126 1.00 74.14 C ATOM 1225 CD1 ILE A 84 13.754 3.036 -10.100 1.00 70.13 C ATOM 0 H ILE A 84 11.558 1.266 -14.706 1.00 35.11 H new ATOM 0 HA ILE A 84 10.513 1.007 -12.814 1.00 61.14 H new ATOM 0 HB ILE A 84 11.683 1.349 -10.783 1.00 74.23 H new ATOM 0 HG12 ILE A 84 13.237 3.597 -12.092 1.00 62.43 H new ATOM 0 HG13 ILE A 84 11.940 3.792 -10.930 1.00 62.43 H new ATOM 0 HG21 ILE A 84 14.025 0.743 -11.341 1.00 74.14 H new ATOM 0 HG22 ILE A 84 12.851 -0.138 -12.348 1.00 74.14 H new ATOM 0 HG23 ILE A 84 13.741 1.247 -13.024 1.00 74.14 H new ATOM 0 HD11 ILE A 84 14.123 4.032 -9.855 1.00 70.13 H new ATOM 0 HD12 ILE A 84 13.271 2.602 -9.224 1.00 70.13 H new ATOM 0 HD13 ILE A 84 14.588 2.404 -10.405 1.00 70.13 H new ATOM 1237 N PRO A 85 9.296 2.885 -11.319 1.00 21.13 N ATOM 1238 CA PRO A 85 8.323 3.890 -10.893 1.00 73.14 C ATOM 1239 C PRO A 85 8.926 4.964 -9.983 1.00 50.23 C ATOM 1240 O PRO A 85 8.318 5.359 -8.986 1.00 4.23 O ATOM 1241 CB PRO A 85 7.289 3.056 -10.138 1.00 31.44 C ATOM 1242 CG PRO A 85 8.038 1.890 -9.585 1.00 53.42 C ATOM 1243 CD PRO A 85 9.267 1.695 -10.442 1.00 70.04 C ATOM 0 HA PRO A 85 7.919 4.452 -11.735 1.00 73.14 H new ATOM 0 HB2 PRO A 85 6.824 3.636 -9.341 1.00 31.44 H new ATOM 0 HB3 PRO A 85 6.489 2.728 -10.802 1.00 31.44 H new ATOM 0 HG2 PRO A 85 8.318 2.071 -8.547 1.00 53.42 H new ATOM 0 HG3 PRO A 85 7.417 0.995 -9.596 1.00 53.42 H new ATOM 0 HD2 PRO A 85 10.169 1.628 -9.834 1.00 70.04 H new ATOM 0 HD3 PRO A 85 9.205 0.775 -11.023 1.00 70.04 H new ATOM 1251 N MET A 86 10.113 5.449 -10.344 1.00 73.33 N ATOM 1252 CA MET A 86 10.791 6.480 -9.564 1.00 75.42 C ATOM 1253 C MET A 86 11.577 7.426 -10.468 1.00 34.14 C ATOM 1254 O MET A 86 11.467 8.646 -10.348 1.00 74.12 O ATOM 1255 CB MET A 86 11.736 5.847 -8.539 1.00 64.02 C ATOM 1256 CG MET A 86 12.355 6.855 -7.582 1.00 53.43 C ATOM 1257 SD MET A 86 13.521 6.104 -6.430 1.00 12.41 S ATOM 1258 CE MET A 86 14.957 5.906 -7.481 1.00 21.53 C ATOM 0 H MET A 86 10.624 5.144 -11.172 1.00 73.33 H new ATOM 0 HA MET A 86 10.026 7.053 -9.040 1.00 75.42 H new ATOM 0 HB2 MET A 86 11.188 5.101 -7.964 1.00 64.02 H new ATOM 0 HB3 MET A 86 12.532 5.322 -9.066 1.00 64.02 H new ATOM 0 HG2 MET A 86 12.866 7.627 -8.157 1.00 53.43 H new ATOM 0 HG3 MET A 86 11.563 7.348 -7.019 1.00 53.43 H new ATOM 0 HE1 MET A 86 15.350 4.895 -7.373 1.00 21.53 H new ATOM 0 HE2 MET A 86 14.674 6.077 -8.520 1.00 21.53 H new ATOM 0 HE3 MET A 86 15.722 6.626 -7.191 1.00 21.53 H new ATOM 1268 N ALA A 87 12.368 6.856 -11.373 1.00 54.22 N ATOM 1269 CA ALA A 87 13.185 7.648 -12.286 1.00 53.42 C ATOM 1270 C ALA A 87 12.399 8.091 -13.516 1.00 13.41 C ATOM 1271 O ALA A 87 12.602 9.192 -14.025 1.00 23.33 O ATOM 1272 CB ALA A 87 14.415 6.859 -12.706 1.00 24.21 C ATOM 0 H ALA A 87 12.460 5.847 -11.493 1.00 54.22 H new ATOM 0 HA ALA A 87 13.495 8.547 -11.754 1.00 53.42 H new ATOM 0 HB1 ALA A 87 15.017 7.460 -13.387 1.00 24.21 H new ATOM 0 HB2 ALA A 87 15.005 6.609 -11.824 1.00 24.21 H new ATOM 0 HB3 ALA A 87 14.105 5.942 -13.208 1.00 24.21 H new ATOM 1278 N ALA A 88 11.498 7.234 -13.988 1.00 61.15 N ATOM 1279 CA ALA A 88 10.693 7.541 -15.167 1.00 45.52 C ATOM 1280 C ALA A 88 9.516 8.456 -14.831 1.00 75.23 C ATOM 1281 O ALA A 88 8.938 9.081 -15.719 1.00 22.52 O ATOM 1282 CB ALA A 88 10.195 6.256 -15.812 1.00 71.22 C ATOM 0 H ALA A 88 11.307 6.322 -13.573 1.00 61.15 H new ATOM 0 HA ALA A 88 11.331 8.074 -15.872 1.00 45.52 H new ATOM 0 HB1 ALA A 88 9.596 6.498 -16.690 1.00 71.22 H new ATOM 0 HB2 ALA A 88 11.047 5.645 -16.111 1.00 71.22 H new ATOM 0 HB3 ALA A 88 9.585 5.703 -15.098 1.00 71.22 H new ATOM 1288 N VAL A 89 9.172 8.540 -13.548 1.00 43.51 N ATOM 1289 CA VAL A 89 8.056 9.377 -13.107 1.00 55.25 C ATOM 1290 C VAL A 89 8.519 10.803 -12.794 1.00 52.21 C ATOM 1291 O VAL A 89 7.716 11.660 -12.416 1.00 54.11 O ATOM 1292 CB VAL A 89 7.358 8.775 -11.866 1.00 14.41 C ATOM 1293 CG1 VAL A 89 5.948 9.328 -11.714 1.00 23.12 C ATOM 1294 CG2 VAL A 89 7.323 7.258 -11.954 1.00 12.30 C ATOM 0 H VAL A 89 9.648 8.041 -12.796 1.00 43.51 H new ATOM 0 HA VAL A 89 7.341 9.412 -13.929 1.00 55.25 H new ATOM 0 HB VAL A 89 7.934 9.059 -10.985 1.00 14.41 H new ATOM 0 HG11 VAL A 89 5.478 8.889 -10.834 1.00 23.12 H new ATOM 0 HG12 VAL A 89 5.992 10.411 -11.600 1.00 23.12 H new ATOM 0 HG13 VAL A 89 5.363 9.080 -12.599 1.00 23.12 H new ATOM 0 HG21 VAL A 89 6.828 6.854 -11.071 1.00 12.30 H new ATOM 0 HG22 VAL A 89 6.775 6.958 -12.847 1.00 12.30 H new ATOM 0 HG23 VAL A 89 8.341 6.873 -12.007 1.00 12.30 H new ATOM 1304 N LYS A 90 9.816 11.059 -12.960 1.00 23.33 N ATOM 1305 CA LYS A 90 10.371 12.385 -12.703 1.00 35.54 C ATOM 1306 C LYS A 90 9.920 13.379 -13.770 1.00 30.13 C ATOM 1307 O LYS A 90 9.764 14.566 -13.492 1.00 54.30 O ATOM 1308 CB LYS A 90 11.899 12.334 -12.651 1.00 23.43 C ATOM 1309 CG LYS A 90 12.443 11.576 -11.449 1.00 23.05 C ATOM 1310 CD LYS A 90 13.916 11.874 -11.213 1.00 34.41 C ATOM 1311 CE LYS A 90 14.773 11.458 -12.398 1.00 51.13 C ATOM 1312 NZ LYS A 90 16.222 11.673 -12.135 1.00 65.32 N1+ ATOM 0 H LYS A 90 10.499 10.368 -13.270 1.00 23.33 H new ATOM 0 HA LYS A 90 9.999 12.719 -11.735 1.00 35.54 H new ATOM 0 HB2 LYS A 90 12.270 11.866 -13.563 1.00 23.43 H new ATOM 0 HB3 LYS A 90 12.288 13.352 -12.634 1.00 23.43 H new ATOM 0 HG2 LYS A 90 11.871 11.844 -10.561 1.00 23.05 H new ATOM 0 HG3 LYS A 90 12.309 10.505 -11.603 1.00 23.05 H new ATOM 0 HD2 LYS A 90 14.046 12.940 -11.027 1.00 34.41 H new ATOM 0 HD3 LYS A 90 14.254 11.351 -10.318 1.00 34.41 H new ATOM 0 HE2 LYS A 90 14.597 10.406 -12.623 1.00 51.13 H new ATOM 0 HE3 LYS A 90 14.475 12.026 -13.279 1.00 51.13 H new ATOM 0 HZ1 LYS A 90 16.773 11.378 -12.966 1.00 65.32 H new ATOM 0 HZ2 LYS A 90 16.395 12.681 -11.945 1.00 65.32 H new ATOM 0 HZ3 LYS A 90 16.512 11.111 -11.309 1.00 65.32 H new ATOM 1326 N GLN A 91 9.708 12.882 -14.989 1.00 32.23 N ATOM 1327 CA GLN A 91 9.265 13.723 -16.098 1.00 13.32 C ATOM 1328 C GLN A 91 7.752 13.923 -16.059 1.00 4.30 C ATOM 1329 O GLN A 91 7.238 14.924 -16.560 1.00 74.41 O ATOM 1330 CB GLN A 91 9.668 13.105 -17.439 1.00 31.23 C ATOM 1331 CG GLN A 91 9.083 11.720 -17.678 1.00 63.44 C ATOM 1332 CD GLN A 91 8.576 11.533 -19.095 1.00 72.42 C ATOM 1333 OE1 GLN A 91 8.086 12.472 -19.722 1.00 73.13 O ATOM 1334 NE2 GLN A 91 8.695 10.316 -19.611 1.00 22.03 N ATOM 0 H GLN A 91 9.837 11.900 -15.232 1.00 32.23 H new ATOM 0 HA GLN A 91 9.750 14.693 -15.994 1.00 13.32 H new ATOM 0 HB2 GLN A 91 9.350 13.767 -18.244 1.00 31.23 H new ATOM 0 HB3 GLN A 91 10.755 13.043 -17.488 1.00 31.23 H new ATOM 0 HG2 GLN A 91 9.843 10.968 -17.467 1.00 63.44 H new ATOM 0 HG3 GLN A 91 8.264 11.551 -16.979 1.00 63.44 H new ATOM 0 HE21 GLN A 91 9.107 9.565 -19.057 1.00 22.03 H new ATOM 0 HE22 GLN A 91 8.374 10.131 -20.562 1.00 22.03 H new ATOM 1343 N ALA A 92 7.047 12.965 -15.455 1.00 50.43 N ATOM 1344 CA ALA A 92 5.593 13.022 -15.346 1.00 24.00 C ATOM 1345 C ALA A 92 5.150 14.052 -14.311 1.00 22.41 C ATOM 1346 O ALA A 92 3.971 14.394 -14.228 1.00 10.13 O ATOM 1347 CB ALA A 92 5.040 11.648 -14.997 1.00 21.40 C ATOM 0 H ALA A 92 7.465 12.136 -15.032 1.00 50.43 H new ATOM 0 HA ALA A 92 5.195 13.332 -16.312 1.00 24.00 H new ATOM 0 HB1 ALA A 92 3.954 11.702 -14.918 1.00 21.40 H new ATOM 0 HB2 ALA A 92 5.312 10.937 -15.777 1.00 21.40 H new ATOM 0 HB3 ALA A 92 5.457 11.319 -14.045 1.00 21.40 H new ATOM 1353 N LEU A 93 6.104 14.534 -13.519 1.00 71.20 N ATOM 1354 CA LEU A 93 5.825 15.533 -12.494 1.00 55.44 C ATOM 1355 C LEU A 93 6.739 16.745 -12.658 1.00 13.40 C ATOM 1356 O LEU A 93 6.755 17.643 -11.814 1.00 52.35 O ATOM 1357 CB LEU A 93 5.997 14.924 -11.100 1.00 70.05 C ATOM 1358 CG LEU A 93 4.960 13.862 -10.724 1.00 1.23 C ATOM 1359 CD1 LEU A 93 5.353 13.172 -9.428 1.00 33.44 C ATOM 1360 CD2 LEU A 93 3.578 14.486 -10.597 1.00 51.40 C ATOM 0 H LEU A 93 7.081 14.247 -13.569 1.00 71.20 H new ATOM 0 HA LEU A 93 4.793 15.864 -12.609 1.00 55.44 H new ATOM 0 HB2 LEU A 93 6.990 14.479 -11.034 1.00 70.05 H new ATOM 0 HB3 LEU A 93 5.957 15.726 -10.363 1.00 70.05 H new ATOM 0 HG LEU A 93 4.928 13.115 -11.518 1.00 1.23 H new ATOM 0 HD11 LEU A 93 4.605 12.420 -9.175 1.00 33.44 H new ATOM 0 HD12 LEU A 93 6.324 12.692 -9.551 1.00 33.44 H new ATOM 0 HD13 LEU A 93 5.412 13.909 -8.627 1.00 33.44 H new ATOM 0 HD21 LEU A 93 2.854 13.716 -10.329 1.00 51.40 H new ATOM 0 HD22 LEU A 93 3.595 15.253 -9.823 1.00 51.40 H new ATOM 0 HD23 LEU A 93 3.293 14.937 -11.548 1.00 51.40 H new ATOM 1372 N ARG A 94 7.495 16.763 -13.754 1.00 75.25 N ATOM 1373 CA ARG A 94 8.407 17.863 -14.042 1.00 35.44 C ATOM 1374 C ARG A 94 7.664 18.991 -14.747 1.00 1.44 C ATOM 1375 O ARG A 94 7.586 20.109 -14.241 1.00 14.23 O ATOM 1376 CB ARG A 94 9.575 17.374 -14.907 1.00 13.12 C ATOM 1377 CG ARG A 94 10.762 18.326 -14.941 1.00 23.13 C ATOM 1378 CD ARG A 94 10.628 19.362 -16.047 1.00 73.14 C ATOM 1379 NE ARG A 94 11.633 20.417 -15.931 1.00 61.42 N ATOM 1380 CZ ARG A 94 11.375 21.645 -15.483 1.00 60.12 C ATOM 1381 NH1 ARG A 94 10.148 21.981 -15.107 1.00 11.13 N1+ ATOM 1382 NH2 ARG A 94 12.350 22.540 -15.410 1.00 5.33 N ATOM 0 H ARG A 94 7.492 16.025 -14.458 1.00 75.25 H new ATOM 0 HA ARG A 94 8.806 18.241 -13.101 1.00 35.44 H new ATOM 0 HB2 ARG A 94 9.909 16.406 -14.534 1.00 13.12 H new ATOM 0 HB3 ARG A 94 9.219 17.217 -15.925 1.00 13.12 H new ATOM 0 HG2 ARG A 94 10.850 18.831 -13.979 1.00 23.13 H new ATOM 0 HG3 ARG A 94 11.680 17.756 -15.087 1.00 23.13 H new ATOM 0 HD2 ARG A 94 10.726 18.873 -17.016 1.00 73.14 H new ATOM 0 HD3 ARG A 94 9.632 19.804 -16.012 1.00 73.14 H new ATOM 0 HE ARG A 94 12.590 20.200 -16.210 1.00 61.42 H new ATOM 0 HH11 ARG A 94 9.393 21.297 -15.160 1.00 11.13 H new ATOM 0 HH12 ARG A 94 9.959 22.923 -14.765 1.00 11.13 H new ATOM 0 HH21 ARG A 94 13.296 22.288 -15.697 1.00 5.33 H new ATOM 0 HH22 ARG A 94 12.154 23.481 -15.067 1.00 5.33 H new ATOM 1396 N GLU A 95 7.113 18.687 -15.919 1.00 71.54 N ATOM 1397 CA GLU A 95 6.372 19.676 -16.689 1.00 74.44 C ATOM 1398 C GLU A 95 4.871 19.525 -16.456 1.00 64.42 C ATOM 1399 O GLU A 95 4.054 19.912 -17.293 1.00 2.11 O ATOM 1400 CB GLU A 95 6.702 19.548 -18.176 1.00 55.34 C ATOM 1401 CG GLU A 95 6.907 20.887 -18.866 1.00 74.24 C ATOM 1402 CD GLU A 95 8.011 21.709 -18.226 1.00 22.21 C ATOM 1403 OE1 GLU A 95 7.691 22.611 -17.424 1.00 32.21 O ATOM 1404 OE2 GLU A 95 9.195 21.447 -18.524 1.00 30.22 O1- ATOM 0 H GLU A 95 7.166 17.766 -16.354 1.00 71.54 H new ATOM 0 HA GLU A 95 6.670 20.669 -16.353 1.00 74.44 H new ATOM 0 HB2 GLU A 95 7.604 18.947 -18.290 1.00 55.34 H new ATOM 0 HB3 GLU A 95 5.896 19.010 -18.675 1.00 55.34 H new ATOM 0 HG2 GLU A 95 7.147 20.718 -19.916 1.00 74.24 H new ATOM 0 HG3 GLU A 95 5.975 21.452 -18.839 1.00 74.24 H new ATOM 1411 N ALA A 96 4.522 18.955 -15.306 1.00 33.44 N ATOM 1412 CA ALA A 96 3.130 18.758 -14.929 1.00 21.51 C ATOM 1413 C ALA A 96 2.890 19.284 -13.519 1.00 5.24 C ATOM 1414 O ALA A 96 1.902 19.972 -13.262 1.00 14.11 O ATOM 1415 CB ALA A 96 2.753 17.288 -15.023 1.00 50.44 C ATOM 0 H ALA A 96 5.193 18.619 -14.615 1.00 33.44 H new ATOM 0 HA ALA A 96 2.499 19.315 -15.621 1.00 21.51 H new ATOM 0 HB1 ALA A 96 1.709 17.161 -14.737 1.00 50.44 H new ATOM 0 HB2 ALA A 96 2.894 16.941 -16.047 1.00 50.44 H new ATOM 0 HB3 ALA A 96 3.386 16.707 -14.353 1.00 50.44 H new ATOM 1421 N GLY A 97 3.813 18.961 -12.613 1.00 51.23 N ATOM 1422 CA GLY A 97 3.704 19.411 -11.236 1.00 64.12 C ATOM 1423 C GLY A 97 4.199 20.833 -11.059 1.00 64.21 C ATOM 1424 O GLY A 97 3.641 21.598 -10.272 1.00 64.15 O ATOM 0 H GLY A 97 4.637 18.393 -12.811 1.00 51.23 H new ATOM 0 HA2 GLY A 97 2.664 19.347 -10.916 1.00 64.12 H new ATOM 0 HA3 GLY A 97 4.278 18.745 -10.591 1.00 64.12 H new ATOM 1428 N ASP A 98 5.250 21.185 -11.796 1.00 64.45 N ATOM 1429 CA ASP A 98 5.818 22.528 -11.733 1.00 40.24 C ATOM 1430 C ASP A 98 5.097 23.462 -12.701 1.00 72.42 C ATOM 1431 O ASP A 98 5.182 24.685 -12.583 1.00 34.33 O ATOM 1432 CB ASP A 98 7.312 22.493 -12.057 1.00 73.55 C ATOM 1433 CG ASP A 98 8.100 21.658 -11.068 1.00 23.02 C ATOM 1434 OD1 ASP A 98 8.147 22.035 -9.879 1.00 60.34 O ATOM 1435 OD2 ASP A 98 8.671 20.628 -11.483 1.00 62.31 O1- ATOM 0 H ASP A 98 5.726 20.557 -12.444 1.00 64.45 H new ATOM 0 HA ASP A 98 5.686 22.905 -10.719 1.00 40.24 H new ATOM 0 HB2 ASP A 98 7.454 22.092 -13.061 1.00 73.55 H new ATOM 0 HB3 ASP A 98 7.703 23.510 -12.062 1.00 73.55 H new ATOM 1440 N GLU A 99 4.386 22.870 -13.660 1.00 50.25 N ATOM 1441 CA GLU A 99 3.637 23.635 -14.651 1.00 71.44 C ATOM 1442 C GLU A 99 2.247 23.980 -14.118 1.00 10.12 C ATOM 1443 O GLU A 99 1.555 24.841 -14.666 1.00 3.14 O ATOM 1444 CB GLU A 99 3.517 22.841 -15.953 1.00 22.22 C ATOM 1445 CG GLU A 99 3.403 23.711 -17.196 1.00 23.45 C ATOM 1446 CD GLU A 99 4.750 24.205 -17.692 1.00 43.13 C ATOM 1447 OE1 GLU A 99 5.095 23.913 -18.856 1.00 65.24 O ATOM 1448 OE2 GLU A 99 5.459 24.882 -16.918 1.00 35.21 O1- ATOM 0 H GLU A 99 4.314 21.859 -13.770 1.00 50.25 H new ATOM 0 HA GLU A 99 4.175 24.562 -14.852 1.00 71.44 H new ATOM 0 HB2 GLU A 99 4.387 22.193 -16.054 1.00 22.22 H new ATOM 0 HB3 GLU A 99 2.642 22.193 -15.893 1.00 22.22 H new ATOM 0 HG2 GLU A 99 2.915 23.143 -17.988 1.00 23.45 H new ATOM 0 HG3 GLU A 99 2.765 24.567 -16.978 1.00 23.45 H new ATOM 1455 N PHE A 100 1.848 23.296 -13.047 1.00 20.03 N ATOM 1456 CA PHE A 100 0.550 23.523 -12.420 1.00 64.44 C ATOM 1457 C PHE A 100 0.531 24.871 -11.707 1.00 22.54 C ATOM 1458 O PHE A 100 -0.415 25.647 -11.849 1.00 41.45 O ATOM 1459 CB PHE A 100 0.242 22.397 -11.428 1.00 12.52 C ATOM 1460 CG PHE A 100 -1.090 22.533 -10.744 1.00 21.12 C ATOM 1461 CD1 PHE A 100 -2.255 22.138 -11.382 1.00 14.31 C ATOM 1462 CD2 PHE A 100 -1.177 23.056 -9.463 1.00 41.04 C ATOM 1463 CE1 PHE A 100 -3.480 22.262 -10.756 1.00 1.24 C ATOM 1464 CE2 PHE A 100 -2.399 23.183 -8.833 1.00 62.11 C ATOM 1465 CZ PHE A 100 -3.553 22.785 -9.480 1.00 65.43 C ATOM 0 H PHE A 100 2.410 22.576 -12.594 1.00 20.03 H new ATOM 0 HA PHE A 100 -0.215 23.531 -13.196 1.00 64.44 H new ATOM 0 HB2 PHE A 100 0.273 21.444 -11.955 1.00 12.52 H new ATOM 0 HB3 PHE A 100 1.026 22.368 -10.672 1.00 12.52 H new ATOM 0 HD1 PHE A 100 -2.205 21.729 -12.380 1.00 14.31 H new ATOM 0 HD2 PHE A 100 -0.278 23.368 -8.952 1.00 41.04 H new ATOM 0 HE1 PHE A 100 -4.380 21.950 -11.264 1.00 1.24 H new ATOM 0 HE2 PHE A 100 -2.453 23.593 -7.835 1.00 62.11 H new ATOM 0 HZ PHE A 100 -4.510 22.883 -8.989 1.00 65.43 H new ATOM 1475 N GLU A 101 1.591 25.143 -10.948 1.00 63.54 N ATOM 1476 CA GLU A 101 1.716 26.398 -10.212 1.00 30.42 C ATOM 1477 C GLU A 101 2.301 27.496 -11.102 1.00 53.33 C ATOM 1478 O GLU A 101 2.716 28.551 -10.620 1.00 41.41 O ATOM 1479 CB GLU A 101 2.586 26.193 -8.967 1.00 4.52 C ATOM 1480 CG GLU A 101 3.957 25.603 -9.263 1.00 13.13 C ATOM 1481 CD GLU A 101 4.548 24.878 -8.070 1.00 41.05 C ATOM 1482 OE1 GLU A 101 4.868 23.678 -8.203 1.00 32.01 O ATOM 1483 OE2 GLU A 101 4.687 25.508 -7.001 1.00 62.54 O1- ATOM 0 H GLU A 101 2.379 24.507 -10.827 1.00 63.54 H new ATOM 0 HA GLU A 101 0.722 26.715 -9.897 1.00 30.42 H new ATOM 0 HB2 GLU A 101 2.715 27.151 -8.464 1.00 4.52 H new ATOM 0 HB3 GLU A 101 2.061 25.537 -8.273 1.00 4.52 H new ATOM 0 HG2 GLU A 101 3.878 24.911 -10.102 1.00 13.13 H new ATOM 0 HG3 GLU A 101 4.633 26.401 -9.571 1.00 13.13 H new ATOM 1490 N LEU A 102 2.325 27.232 -12.407 1.00 23.43 N ATOM 1491 CA LEU A 102 2.840 28.180 -13.387 1.00 61.22 C ATOM 1492 C LEU A 102 1.692 28.779 -14.198 1.00 34.41 C ATOM 1493 O LEU A 102 1.767 29.924 -14.647 1.00 44.11 O ATOM 1494 CB LEU A 102 3.842 27.478 -14.314 1.00 62.35 C ATOM 1495 CG LEU A 102 4.209 28.236 -15.594 1.00 14.24 C ATOM 1496 CD1 LEU A 102 5.712 28.204 -15.822 1.00 55.42 C ATOM 1497 CD2 LEU A 102 3.480 27.640 -16.790 1.00 62.43 C ATOM 0 H LEU A 102 1.989 26.358 -12.811 1.00 23.43 H new ATOM 0 HA LEU A 102 3.351 28.989 -12.864 1.00 61.22 H new ATOM 0 HB2 LEU A 102 4.756 27.287 -13.752 1.00 62.35 H new ATOM 0 HB3 LEU A 102 3.432 26.508 -14.594 1.00 62.35 H new ATOM 0 HG LEU A 102 3.900 29.275 -15.479 1.00 14.24 H new ATOM 0 HD11 LEU A 102 5.953 28.747 -16.736 1.00 55.42 H new ATOM 0 HD12 LEU A 102 6.218 28.672 -14.977 1.00 55.42 H new ATOM 0 HD13 LEU A 102 6.044 27.170 -15.917 1.00 55.42 H new ATOM 0 HD21 LEU A 102 3.751 28.189 -17.692 1.00 62.43 H new ATOM 0 HD22 LEU A 102 3.763 26.593 -16.904 1.00 62.43 H new ATOM 0 HD23 LEU A 102 2.404 27.710 -16.632 1.00 62.43 H new ATOM 1509 N ARG A 103 0.632 27.986 -14.374 1.00 62.12 N ATOM 1510 CA ARG A 103 -0.548 28.409 -15.128 1.00 60.12 C ATOM 1511 C ARG A 103 -1.175 29.661 -14.517 1.00 41.31 C ATOM 1512 O ARG A 103 -1.247 30.708 -15.162 1.00 34.42 O ATOM 1513 CB ARG A 103 -1.577 27.275 -15.167 1.00 62.14 C ATOM 1514 CG ARG A 103 -2.873 27.648 -15.870 1.00 32.00 C ATOM 1515 CD ARG A 103 -3.967 26.628 -15.599 1.00 31.41 C ATOM 1516 NE ARG A 103 -5.270 27.082 -16.079 1.00 2.15 N ATOM 1517 CZ ARG A 103 -6.250 27.505 -15.282 1.00 70.25 C ATOM 1518 NH1 ARG A 103 -6.083 27.534 -13.965 1.00 55.11 N1+ ATOM 1519 NH2 ARG A 103 -7.403 27.900 -15.804 1.00 32.41 N ATOM 0 H ARG A 103 0.568 27.039 -14.000 1.00 62.12 H new ATOM 0 HA ARG A 103 -0.234 28.649 -16.144 1.00 60.12 H new ATOM 0 HB2 ARG A 103 -1.136 26.414 -15.670 1.00 62.14 H new ATOM 0 HB3 ARG A 103 -1.804 26.967 -14.146 1.00 62.14 H new ATOM 0 HG2 ARG A 103 -3.200 28.632 -15.534 1.00 32.00 H new ATOM 0 HG3 ARG A 103 -2.698 27.719 -16.944 1.00 32.00 H new ATOM 0 HD2 ARG A 103 -3.711 25.685 -16.082 1.00 31.41 H new ATOM 0 HD3 ARG A 103 -4.023 26.433 -14.528 1.00 31.41 H new ATOM 0 HE ARG A 103 -5.440 27.075 -17.085 1.00 2.15 H new ATOM 0 HH11 ARG A 103 -5.199 27.231 -13.556 1.00 55.11 H new ATOM 0 HH12 ARG A 103 -6.839 27.859 -13.362 1.00 55.11 H new ATOM 0 HH21 ARG A 103 -7.539 27.880 -16.815 1.00 32.41 H new ATOM 0 HH22 ARG A 103 -8.154 28.224 -15.195 1.00 32.41 H new ATOM 1533 N TYR A 104 -1.626 29.545 -13.272 1.00 52.42 N ATOM 1534 CA TYR A 104 -2.240 30.668 -12.575 1.00 13.30 C ATOM 1535 C TYR A 104 -1.213 31.394 -11.710 1.00 63.24 C ATOM 1536 O TYR A 104 -1.487 32.480 -11.194 1.00 72.05 O ATOM 1537 CB TYR A 104 -3.428 30.194 -11.723 1.00 1.53 C ATOM 1538 CG TYR A 104 -3.062 29.231 -10.611 1.00 74.53 C ATOM 1539 CD1 TYR A 104 -2.830 27.886 -10.873 1.00 43.20 C ATOM 1540 CD2 TYR A 104 -2.959 29.668 -9.295 1.00 44.51 C ATOM 1541 CE1 TYR A 104 -2.504 27.007 -9.858 1.00 12.51 C ATOM 1542 CE2 TYR A 104 -2.632 28.795 -8.276 1.00 64.31 C ATOM 1543 CZ TYR A 104 -2.406 27.466 -8.563 1.00 25.55 C ATOM 1544 OH TYR A 104 -2.079 26.594 -7.550 1.00 54.23 O ATOM 0 H TYR A 104 -1.578 28.685 -12.726 1.00 52.42 H new ATOM 0 HA TYR A 104 -2.613 31.369 -13.322 1.00 13.30 H new ATOM 0 HB2 TYR A 104 -3.915 31.065 -11.286 1.00 1.53 H new ATOM 0 HB3 TYR A 104 -4.158 29.715 -12.375 1.00 1.53 H new ATOM 0 HD1 TYR A 104 -2.906 27.522 -11.887 1.00 43.20 H new ATOM 0 HD2 TYR A 104 -3.138 30.708 -9.066 1.00 44.51 H new ATOM 0 HE1 TYR A 104 -2.327 25.965 -10.079 1.00 12.51 H new ATOM 0 HE2 TYR A 104 -2.554 29.152 -7.260 1.00 64.31 H new ATOM 0 HH TYR A 104 -2.159 25.672 -7.873 1.00 54.23 H new ATOM 1554 N ARG A 105 -0.031 30.774 -11.565 1.00 42.41 N ATOM 1555 CA ARG A 105 1.078 31.324 -10.775 1.00 15.40 C ATOM 1556 C ARG A 105 0.769 31.299 -9.275 1.00 65.40 C ATOM 1557 O ARG A 105 -0.363 31.552 -8.859 1.00 0.05 O ATOM 1558 CB ARG A 105 1.423 32.748 -11.237 1.00 1.02 C ATOM 1559 CG ARG A 105 2.745 33.273 -10.698 1.00 42.53 C ATOM 1560 CD ARG A 105 2.531 34.342 -9.638 1.00 64.23 C ATOM 1561 NE ARG A 105 1.770 35.481 -10.148 1.00 15.05 N ATOM 1562 CZ ARG A 105 1.318 36.472 -9.383 1.00 3.35 C ATOM 1563 NH1 ARG A 105 1.548 36.467 -8.076 1.00 74.31 N1+ ATOM 1564 NH2 ARG A 105 0.633 37.468 -9.926 1.00 64.40 N ATOM 0 H ARG A 105 0.181 29.874 -11.995 1.00 42.41 H new ATOM 0 HA ARG A 105 1.947 30.688 -10.942 1.00 15.40 H new ATOM 0 HB2 ARG A 105 1.454 32.767 -12.326 1.00 1.02 H new ATOM 0 HB3 ARG A 105 0.624 33.422 -10.929 1.00 1.02 H new ATOM 0 HG2 ARG A 105 3.319 32.449 -10.274 1.00 42.53 H new ATOM 0 HG3 ARG A 105 3.335 33.684 -11.517 1.00 42.53 H new ATOM 0 HD2 ARG A 105 2.006 33.908 -8.787 1.00 64.23 H new ATOM 0 HD3 ARG A 105 3.498 34.688 -9.273 1.00 64.23 H new ATOM 0 HE ARG A 105 1.574 35.519 -11.148 1.00 15.05 H new ATOM 0 HH11 ARG A 105 2.073 35.701 -7.654 1.00 74.31 H new ATOM 0 HH12 ARG A 105 1.200 37.229 -7.494 1.00 74.31 H new ATOM 0 HH21 ARG A 105 0.452 37.475 -10.930 1.00 64.40 H new ATOM 0 HH22 ARG A 105 0.286 38.228 -9.340 1.00 64.40 H new ATOM 1578 N ARG A 106 1.793 30.978 -8.475 1.00 33.45 N ATOM 1579 CA ARG A 106 1.669 30.910 -7.014 1.00 65.14 C ATOM 1580 C ARG A 106 0.767 29.744 -6.598 1.00 44.23 C ATOM 1581 O ARG A 106 0.519 28.826 -7.382 1.00 1.42 O ATOM 1582 CB ARG A 106 1.123 32.235 -6.458 1.00 72.31 C ATOM 1583 CG ARG A 106 1.705 32.641 -5.112 1.00 51.11 C ATOM 1584 CD ARG A 106 1.012 33.880 -4.568 1.00 13.11 C ATOM 1585 NE ARG A 106 1.492 34.239 -3.235 1.00 34.31 N ATOM 1586 CZ ARG A 106 1.048 35.289 -2.547 1.00 13.22 C ATOM 1587 NH1 ARG A 106 0.118 36.082 -3.062 1.00 71.44 N1+ ATOM 1588 NH2 ARG A 106 1.537 35.547 -1.342 1.00 33.14 N ATOM 0 H ARG A 106 2.727 30.759 -8.820 1.00 33.45 H new ATOM 0 HA ARG A 106 2.661 30.740 -6.596 1.00 65.14 H new ATOM 0 HB2 ARG A 106 1.322 33.027 -7.180 1.00 72.31 H new ATOM 0 HB3 ARG A 106 0.040 32.156 -6.363 1.00 72.31 H new ATOM 0 HG2 ARG A 106 1.598 31.820 -4.403 1.00 51.11 H new ATOM 0 HG3 ARG A 106 2.773 32.834 -5.217 1.00 51.11 H new ATOM 0 HD2 ARG A 106 1.177 34.715 -5.249 1.00 13.11 H new ATOM 0 HD3 ARG A 106 -0.063 33.706 -4.531 1.00 13.11 H new ATOM 0 HE ARG A 106 2.208 33.652 -2.807 1.00 34.31 H new ATOM 0 HH11 ARG A 106 -0.261 35.889 -3.989 1.00 71.44 H new ATOM 0 HH12 ARG A 106 -0.219 36.885 -2.531 1.00 71.44 H new ATOM 0 HH21 ARG A 106 2.253 34.941 -0.942 1.00 33.14 H new ATOM 0 HH22 ARG A 106 1.197 36.351 -0.815 1.00 33.14 H new ATOM 1602 N ALA A 107 0.294 29.781 -5.356 1.00 61.14 N ATOM 1603 CA ALA A 107 -0.583 28.743 -4.831 1.00 3.22 C ATOM 1604 C ALA A 107 -1.583 29.344 -3.850 1.00 74.33 C ATOM 1605 O ALA A 107 -2.786 29.370 -4.111 1.00 23.20 O ATOM 1606 CB ALA A 107 0.234 27.645 -4.160 1.00 13.05 C ATOM 0 H ALA A 107 0.506 30.525 -4.691 1.00 61.14 H new ATOM 0 HA ALA A 107 -1.135 28.300 -5.660 1.00 3.22 H new ATOM 0 HB1 ALA A 107 -0.436 26.877 -3.773 1.00 13.05 H new ATOM 0 HB2 ALA A 107 0.913 27.201 -4.888 1.00 13.05 H new ATOM 0 HB3 ALA A 107 0.810 28.071 -3.339 1.00 13.05 H new ATOM 1612 N PHE A 108 -1.070 29.833 -2.723 1.00 42.23 N ATOM 1613 CA PHE A 108 -1.902 30.447 -1.694 1.00 73.30 C ATOM 1614 C PHE A 108 -1.215 31.681 -1.116 1.00 1.24 C ATOM 1615 O PHE A 108 -0.118 32.046 -1.542 1.00 50.31 O ATOM 1616 CB PHE A 108 -2.208 29.443 -0.580 1.00 12.43 C ATOM 1617 CG PHE A 108 -3.325 28.494 -0.913 1.00 2.32 C ATOM 1618 CD1 PHE A 108 -4.641 28.839 -0.652 1.00 33.21 C ATOM 1619 CD2 PHE A 108 -3.060 27.261 -1.488 1.00 53.41 C ATOM 1620 CE1 PHE A 108 -5.672 27.971 -0.957 1.00 23.13 C ATOM 1621 CE2 PHE A 108 -4.087 26.390 -1.795 1.00 60.34 C ATOM 1622 CZ PHE A 108 -5.395 26.746 -1.529 1.00 45.21 C ATOM 0 H PHE A 108 -0.075 29.815 -2.500 1.00 42.23 H new ATOM 0 HA PHE A 108 -2.842 30.754 -2.153 1.00 73.30 H new ATOM 0 HB2 PHE A 108 -1.307 28.869 -0.363 1.00 12.43 H new ATOM 0 HB3 PHE A 108 -2.465 29.988 0.328 1.00 12.43 H new ATOM 0 HD1 PHE A 108 -4.864 29.797 -0.205 1.00 33.21 H new ATOM 0 HD2 PHE A 108 -2.039 26.978 -1.698 1.00 53.41 H new ATOM 0 HE1 PHE A 108 -6.694 28.251 -0.748 1.00 23.13 H new ATOM 0 HE2 PHE A 108 -3.868 25.432 -2.242 1.00 60.34 H new ATOM 0 HZ PHE A 108 -6.200 26.067 -1.768 1.00 45.21 H new ATOM 1632 N SER A 109 -1.864 32.322 -0.148 1.00 33.32 N ATOM 1633 CA SER A 109 -1.308 33.516 0.480 1.00 73.01 C ATOM 1634 C SER A 109 -1.557 33.516 1.986 1.00 62.34 C ATOM 1635 O SER A 109 -0.660 33.825 2.770 1.00 14.24 O ATOM 1636 CB SER A 109 -1.913 34.774 -0.147 1.00 45.41 C ATOM 1637 OG SER A 109 -1.338 35.947 0.403 1.00 51.10 O ATOM 0 H SER A 109 -2.772 32.036 0.217 1.00 33.32 H new ATOM 0 HA SER A 109 -0.231 33.512 0.312 1.00 73.01 H new ATOM 0 HB2 SER A 109 -1.754 34.759 -1.225 1.00 45.41 H new ATOM 0 HB3 SER A 109 -2.991 34.783 0.016 1.00 45.41 H new ATOM 0 HG SER A 109 -1.741 36.736 -0.016 1.00 51.10 H new ATOM 1643 N ASP A 110 -2.778 33.166 2.383 1.00 62.34 N ATOM 1644 CA ASP A 110 -3.148 33.139 3.796 1.00 11.32 C ATOM 1645 C ASP A 110 -3.142 31.715 4.354 1.00 55.22 C ATOM 1646 O ASP A 110 -3.608 31.477 5.469 1.00 21.41 O ATOM 1647 CB ASP A 110 -4.529 33.774 3.993 1.00 3.34 C ATOM 1648 CG ASP A 110 -5.605 33.112 3.151 1.00 41.24 C ATOM 1649 OD1 ASP A 110 -5.792 33.531 1.989 1.00 44.25 O ATOM 1650 OD2 ASP A 110 -6.261 32.175 3.654 1.00 1.11 O1- ATOM 0 H ASP A 110 -3.528 32.897 1.746 1.00 62.34 H new ATOM 0 HA ASP A 110 -2.403 33.716 4.344 1.00 11.32 H new ATOM 0 HB2 ASP A 110 -4.807 33.710 5.045 1.00 3.34 H new ATOM 0 HB3 ASP A 110 -4.477 34.833 3.741 1.00 3.34 H new ATOM 1655 N LEU A 111 -2.604 30.774 3.581 1.00 60.21 N ATOM 1656 CA LEU A 111 -2.546 29.380 4.010 1.00 54.45 C ATOM 1657 C LEU A 111 -1.232 29.080 4.730 1.00 1.24 C ATOM 1658 O LEU A 111 -0.972 27.940 5.117 1.00 0.51 O ATOM 1659 CB LEU A 111 -2.709 28.446 2.811 1.00 14.15 C ATOM 1660 CG LEU A 111 -3.403 27.116 3.113 1.00 11.22 C ATOM 1661 CD1 LEU A 111 -4.890 27.330 3.351 1.00 12.31 C ATOM 1662 CD2 LEU A 111 -3.182 26.130 1.977 1.00 51.45 C ATOM 0 H LEU A 111 -2.204 30.951 2.659 1.00 60.21 H new ATOM 0 HA LEU A 111 -3.366 29.210 4.708 1.00 54.45 H new ATOM 0 HB2 LEU A 111 -3.276 28.967 2.039 1.00 14.15 H new ATOM 0 HB3 LEU A 111 -1.723 28.237 2.396 1.00 14.15 H new ATOM 0 HG LEU A 111 -2.967 26.700 4.021 1.00 11.22 H new ATOM 0 HD11 LEU A 111 -5.366 26.373 3.564 1.00 12.31 H new ATOM 0 HD12 LEU A 111 -5.030 28.001 4.198 1.00 12.31 H new ATOM 0 HD13 LEU A 111 -5.341 27.769 2.461 1.00 12.31 H new ATOM 0 HD21 LEU A 111 -3.682 25.190 2.209 1.00 51.45 H new ATOM 0 HD22 LEU A 111 -3.591 26.541 1.054 1.00 51.45 H new ATOM 0 HD23 LEU A 111 -2.114 25.951 1.853 1.00 51.45 H new ATOM 1674 N THR A 112 -0.408 30.111 4.908 1.00 23.41 N ATOM 1675 CA THR A 112 0.877 29.965 5.585 1.00 54.11 C ATOM 1676 C THR A 112 0.680 29.788 7.087 1.00 2.10 C ATOM 1677 O THR A 112 1.301 28.927 7.710 1.00 21.10 O ATOM 1678 CB THR A 112 1.783 31.188 5.345 1.00 13.41 C ATOM 1679 OG1 THR A 112 1.294 31.951 4.237 1.00 11.44 O ATOM 1680 CG2 THR A 112 3.216 30.757 5.073 1.00 73.11 C ATOM 0 H THR A 112 -0.609 31.059 4.591 1.00 23.41 H new ATOM 0 HA THR A 112 1.357 29.079 5.169 1.00 54.11 H new ATOM 0 HB THR A 112 1.769 31.802 6.245 1.00 13.41 H new ATOM 0 HG1 THR A 112 1.013 32.837 4.548 1.00 11.44 H new ATOM 0 HG21 THR A 112 3.836 31.638 4.907 1.00 73.11 H new ATOM 0 HG22 THR A 112 3.598 30.201 5.930 1.00 73.11 H new ATOM 0 HG23 THR A 112 3.243 30.122 4.187 1.00 73.11 H new ATOM 1688 N SER A 113 -0.195 30.613 7.658 1.00 45.01 N ATOM 1689 CA SER A 113 -0.491 30.555 9.084 1.00 35.51 C ATOM 1690 C SER A 113 -1.521 29.465 9.376 1.00 63.44 C ATOM 1691 O SER A 113 -1.749 29.105 10.532 1.00 21.00 O ATOM 1692 CB SER A 113 -1.007 31.912 9.568 1.00 4.34 C ATOM 1693 OG SER A 113 -1.110 31.948 10.981 1.00 61.04 O ATOM 0 H SER A 113 -0.712 31.331 7.151 1.00 45.01 H new ATOM 0 HA SER A 113 0.427 30.313 9.619 1.00 35.51 H new ATOM 0 HB2 SER A 113 -0.335 32.701 9.230 1.00 4.34 H new ATOM 0 HB3 SER A 113 -1.982 32.112 9.125 1.00 4.34 H new ATOM 0 HG SER A 113 -1.349 31.058 11.314 1.00 61.04 H new ATOM 1699 N GLN A 114 -2.138 28.944 8.314 1.00 74.03 N ATOM 1700 CA GLN A 114 -3.139 27.890 8.441 1.00 14.21 C ATOM 1701 C GLN A 114 -2.494 26.589 8.910 1.00 4.52 C ATOM 1702 O GLN A 114 -3.006 25.922 9.810 1.00 44.42 O ATOM 1703 CB GLN A 114 -3.853 27.670 7.104 1.00 22.13 C ATOM 1704 CG GLN A 114 -5.018 26.693 7.182 1.00 52.25 C ATOM 1705 CD GLN A 114 -6.186 27.223 7.996 1.00 3.41 C ATOM 1706 OE1 GLN A 114 -6.395 28.535 7.960 1.00 60.14 O flip ATOM 1707 NE2 GLN A 114 -6.899 26.458 8.645 1.00 70.03 N flip ATOM 0 H GLN A 114 -1.959 29.238 7.354 1.00 74.03 H new ATOM 0 HA GLN A 114 -3.872 28.202 9.185 1.00 14.21 H new ATOM 0 HB2 GLN A 114 -4.219 28.629 6.736 1.00 22.13 H new ATOM 0 HB3 GLN A 114 -3.132 27.303 6.374 1.00 22.13 H new ATOM 0 HG2 GLN A 114 -5.360 26.464 6.173 1.00 52.25 H new ATOM 0 HG3 GLN A 114 -4.671 25.758 7.621 1.00 52.25 H new ATOM 0 HE21 GLN A 114 -6.704 25.457 8.646 1.00 70.03 H new ATOM 0 HE22 GLN A 114 -7.685 26.825 9.182 1.00 70.03 H new ATOM 1716 N LEU A 115 -1.366 26.235 8.296 1.00 52.42 N ATOM 1717 CA LEU A 115 -0.653 25.020 8.666 1.00 65.13 C ATOM 1718 C LEU A 115 0.270 25.287 9.853 1.00 44.13 C ATOM 1719 O LEU A 115 0.622 24.365 10.586 1.00 23.02 O ATOM 1720 CB LEU A 115 0.139 24.466 7.473 1.00 55.43 C ATOM 1721 CG LEU A 115 1.492 25.129 7.202 1.00 20.32 C ATOM 1722 CD1 LEU A 115 2.593 24.082 7.169 1.00 34.33 C ATOM 1723 CD2 LEU A 115 1.457 25.904 5.894 1.00 72.14 C ATOM 0 H LEU A 115 -0.931 26.771 7.545 1.00 52.42 H new ATOM 0 HA LEU A 115 -1.385 24.268 8.960 1.00 65.13 H new ATOM 0 HB2 LEU A 115 0.304 23.401 7.635 1.00 55.43 H new ATOM 0 HB3 LEU A 115 -0.476 24.561 6.578 1.00 55.43 H new ATOM 0 HG LEU A 115 1.701 25.831 8.010 1.00 20.32 H new ATOM 0 HD11 LEU A 115 3.550 24.566 6.975 1.00 34.33 H new ATOM 0 HD12 LEU A 115 2.634 23.567 8.129 1.00 34.33 H new ATOM 0 HD13 LEU A 115 2.385 23.360 6.379 1.00 34.33 H new ATOM 0 HD21 LEU A 115 2.428 26.368 5.720 1.00 72.14 H new ATOM 0 HD22 LEU A 115 1.227 25.224 5.074 1.00 72.14 H new ATOM 0 HD23 LEU A 115 0.691 26.677 5.950 1.00 72.14 H new ATOM 1735 N HIS A 116 0.649 26.562 10.027 1.00 52.33 N ATOM 1736 CA HIS A 116 1.517 26.998 11.128 1.00 31.20 C ATOM 1737 C HIS A 116 2.907 26.358 11.057 1.00 12.10 C ATOM 1738 O HIS A 116 3.071 25.160 11.290 1.00 23.32 O ATOM 1739 CB HIS A 116 0.854 26.694 12.477 1.00 62.35 C ATOM 1740 CG HIS A 116 1.508 27.370 13.642 1.00 60.42 C ATOM 1741 ND1 HIS A 116 1.874 28.700 13.634 1.00 74.44 N ATOM 1742 CD2 HIS A 116 1.856 26.893 14.860 1.00 14.43 C ATOM 1743 CE1 HIS A 116 2.420 29.010 14.796 1.00 12.45 C ATOM 1744 NE2 HIS A 116 2.421 27.932 15.557 1.00 21.21 N ATOM 0 H HIS A 116 0.361 27.319 9.407 1.00 52.33 H new ATOM 0 HA HIS A 116 1.654 28.075 11.030 1.00 31.20 H new ATOM 0 HB2 HIS A 116 -0.192 26.998 12.433 1.00 62.35 H new ATOM 0 HB3 HIS A 116 0.866 25.617 12.642 1.00 62.35 H new ATOM 0 HD2 HIS A 116 1.715 25.883 15.217 1.00 14.43 H new ATOM 0 HE1 HIS A 116 2.801 29.981 15.076 1.00 12.45 H new ATOM 0 HE2 HIS A 116 2.783 27.879 16.509 1.00 21.21 H new ATOM 1753 N ILE A 117 3.909 27.176 10.749 1.00 32.33 N ATOM 1754 CA ILE A 117 5.282 26.694 10.649 1.00 41.30 C ATOM 1755 C ILE A 117 5.933 26.592 12.027 1.00 61.03 C ATOM 1756 O ILE A 117 6.336 27.598 12.614 1.00 53.41 O ATOM 1757 CB ILE A 117 6.142 27.605 9.748 1.00 75.52 C ATOM 1758 CG1 ILE A 117 5.512 27.740 8.355 1.00 63.13 C ATOM 1759 CG2 ILE A 117 7.562 27.063 9.644 1.00 14.04 C ATOM 1760 CD1 ILE A 117 5.380 26.428 7.611 1.00 43.34 C ATOM 0 H ILE A 117 3.796 28.173 10.565 1.00 32.33 H new ATOM 0 HA ILE A 117 5.233 25.702 10.200 1.00 41.30 H new ATOM 0 HB ILE A 117 6.183 28.596 10.201 1.00 75.52 H new ATOM 0 HG12 ILE A 117 4.524 28.190 8.456 1.00 63.13 H new ATOM 0 HG13 ILE A 117 6.115 28.425 7.759 1.00 63.13 H new ATOM 0 HG21 ILE A 117 8.155 27.717 9.005 1.00 14.04 H new ATOM 0 HG22 ILE A 117 8.010 27.022 10.637 1.00 14.04 H new ATOM 0 HG23 ILE A 117 7.539 26.061 9.215 1.00 14.04 H new ATOM 0 HD11 ILE A 117 4.927 26.607 6.636 1.00 43.34 H new ATOM 0 HD12 ILE A 117 6.367 25.985 7.477 1.00 43.34 H new ATOM 0 HD13 ILE A 117 4.751 25.746 8.184 1.00 43.34 H new ATOM 1772 N THR A 118 6.019 25.366 12.536 1.00 10.23 N ATOM 1773 CA THR A 118 6.623 25.105 13.839 1.00 54.04 C ATOM 1774 C THR A 118 7.229 23.703 13.873 1.00 61.11 C ATOM 1775 O THR A 118 6.507 22.711 13.765 1.00 11.44 O ATOM 1776 CB THR A 118 5.592 25.244 14.983 1.00 40.13 C ATOM 1777 OG1 THR A 118 5.152 26.602 15.084 1.00 12.31 O ATOM 1778 CG2 THR A 118 6.184 24.805 16.316 1.00 72.24 C ATOM 0 H THR A 118 5.675 24.531 12.061 1.00 10.23 H new ATOM 0 HA THR A 118 7.406 25.848 13.989 1.00 54.04 H new ATOM 0 HB THR A 118 4.746 24.598 14.750 1.00 40.13 H new ATOM 0 HG1 THR A 118 4.510 26.684 15.820 1.00 12.31 H new ATOM 0 HG21 THR A 118 5.435 24.914 17.100 1.00 72.24 H new ATOM 0 HG22 THR A 118 6.492 23.761 16.251 1.00 72.24 H new ATOM 0 HG23 THR A 118 7.049 25.425 16.552 1.00 72.24 H new ATOM 1786 N PRO A 119 8.566 23.604 14.013 1.00 60.12 N ATOM 1787 CA PRO A 119 9.265 22.313 14.059 1.00 64.33 C ATOM 1788 C PRO A 119 8.818 21.448 15.236 1.00 0.31 C ATOM 1789 O PRO A 119 8.921 21.851 16.395 1.00 72.22 O ATOM 1790 CB PRO A 119 10.743 22.697 14.199 1.00 11.42 C ATOM 1791 CG PRO A 119 10.753 24.112 14.661 1.00 63.35 C ATOM 1792 CD PRO A 119 9.497 24.741 14.131 1.00 63.31 C ATOM 0 HA PRO A 119 9.057 21.713 13.173 1.00 64.33 H new ATOM 0 HB2 PRO A 119 11.249 22.049 14.914 1.00 11.42 H new ATOM 0 HB3 PRO A 119 11.266 22.592 13.248 1.00 11.42 H new ATOM 0 HG2 PRO A 119 10.784 24.165 15.749 1.00 63.35 H new ATOM 0 HG3 PRO A 119 11.635 24.635 14.291 1.00 63.35 H new ATOM 0 HD2 PRO A 119 9.114 25.505 14.808 1.00 63.31 H new ATOM 0 HD3 PRO A 119 9.665 25.224 13.168 1.00 63.31 H new ATOM 1800 N GLY A 120 8.316 20.256 14.921 1.00 43.34 N ATOM 1801 CA GLY A 120 7.853 19.346 15.951 1.00 51.53 C ATOM 1802 C GLY A 120 6.389 18.989 15.785 1.00 21.50 C ATOM 1803 O GLY A 120 5.992 17.844 16.002 1.00 64.55 O ATOM 0 H GLY A 120 8.222 19.905 13.968 1.00 43.34 H new ATOM 0 HA2 GLY A 120 8.452 18.436 15.925 1.00 51.53 H new ATOM 0 HA3 GLY A 120 8.006 19.800 16.930 1.00 51.53 H new ATOM 1807 N THR A 121 5.587 19.978 15.401 1.00 61.11 N ATOM 1808 CA THR A 121 4.156 19.779 15.199 1.00 3.40 C ATOM 1809 C THR A 121 3.723 20.347 13.845 1.00 13.54 C ATOM 1810 O THR A 121 2.572 20.749 13.661 1.00 20.43 O ATOM 1811 CB THR A 121 3.336 20.452 16.323 1.00 51.22 C ATOM 1812 OG1 THR A 121 4.079 20.445 17.548 1.00 40.33 O ATOM 1813 CG2 THR A 121 2.011 19.734 16.538 1.00 3.54 C ATOM 0 H THR A 121 5.907 20.930 15.223 1.00 61.11 H new ATOM 0 HA THR A 121 3.965 18.706 15.220 1.00 3.40 H new ATOM 0 HB THR A 121 3.135 21.479 16.020 1.00 51.22 H new ATOM 0 HG1 THR A 121 3.551 20.875 18.253 1.00 40.33 H new ATOM 0 HG21 THR A 121 1.454 20.228 17.334 1.00 3.54 H new ATOM 0 HG22 THR A 121 1.429 19.761 15.617 1.00 3.54 H new ATOM 0 HG23 THR A 121 2.200 18.697 16.817 1.00 3.54 H new ATOM 1821 N ALA A 122 4.655 20.367 12.895 1.00 51.13 N ATOM 1822 CA ALA A 122 4.382 20.894 11.561 1.00 12.43 C ATOM 1823 C ALA A 122 3.725 19.853 10.659 1.00 31.34 C ATOM 1824 O ALA A 122 2.976 20.208 9.752 1.00 73.24 O ATOM 1825 CB ALA A 122 5.663 21.407 10.923 1.00 23.51 C ATOM 0 H ALA A 122 5.607 20.024 13.025 1.00 51.13 H new ATOM 0 HA ALA A 122 3.680 21.720 11.675 1.00 12.43 H new ATOM 0 HB1 ALA A 122 5.444 21.797 9.929 1.00 23.51 H new ATOM 0 HB2 ALA A 122 6.084 22.201 11.540 1.00 23.51 H new ATOM 0 HB3 ALA A 122 6.381 20.591 10.842 1.00 23.51 H new ATOM 1831 N TYR A 123 4.004 18.574 10.909 1.00 30.15 N ATOM 1832 CA TYR A 123 3.435 17.494 10.102 1.00 4.23 C ATOM 1833 C TYR A 123 1.985 17.211 10.492 1.00 30.11 C ATOM 1834 O TYR A 123 1.162 16.876 9.640 1.00 10.21 O ATOM 1835 CB TYR A 123 4.275 16.220 10.237 1.00 14.22 C ATOM 1836 CG TYR A 123 3.723 15.036 9.468 1.00 12.33 C ATOM 1837 CD1 TYR A 123 3.532 13.808 10.089 1.00 34.24 C ATOM 1838 CD2 TYR A 123 3.389 15.148 8.122 1.00 64.42 C ATOM 1839 CE1 TYR A 123 3.025 12.727 9.393 1.00 14.42 C ATOM 1840 CE2 TYR A 123 2.882 14.071 7.420 1.00 32.40 C ATOM 1841 CZ TYR A 123 2.702 12.863 8.059 1.00 61.00 C ATOM 1842 OH TYR A 123 2.196 11.789 7.364 1.00 63.11 O ATOM 0 H TYR A 123 4.618 18.261 11.661 1.00 30.15 H new ATOM 0 HA TYR A 123 3.449 17.818 9.061 1.00 4.23 H new ATOM 0 HB2 TYR A 123 5.288 16.426 9.890 1.00 14.22 H new ATOM 0 HB3 TYR A 123 4.347 15.954 11.292 1.00 14.22 H new ATOM 0 HD1 TYR A 123 3.784 13.696 11.133 1.00 34.24 H new ATOM 0 HD2 TYR A 123 3.528 16.093 7.617 1.00 64.42 H new ATOM 0 HE1 TYR A 123 2.882 11.780 9.892 1.00 14.42 H new ATOM 0 HE2 TYR A 123 2.628 14.175 6.375 1.00 32.40 H new ATOM 0 HH TYR A 123 1.381 12.060 6.891 1.00 63.11 H new ATOM 1852 N GLN A 124 1.676 17.351 11.780 1.00 40.14 N ATOM 1853 CA GLN A 124 0.323 17.108 12.274 1.00 1.34 C ATOM 1854 C GLN A 124 -0.659 18.130 11.701 1.00 23.13 C ATOM 1855 O GLN A 124 -1.828 17.819 11.464 1.00 72.24 O ATOM 1856 CB GLN A 124 0.302 17.155 13.806 1.00 71.22 C ATOM 1857 CG GLN A 124 -1.035 16.752 14.416 1.00 34.40 C ATOM 1858 CD GLN A 124 -1.427 15.318 14.100 1.00 44.04 C ATOM 1859 OE1 GLN A 124 -0.440 14.434 14.002 1.00 1.04 O flip ATOM 1860 NE2 GLN A 124 -2.609 15.007 13.955 1.00 21.23 N flip ATOM 0 H GLN A 124 2.343 17.631 12.499 1.00 40.14 H new ATOM 0 HA GLN A 124 0.013 16.116 11.946 1.00 1.34 H new ATOM 0 HB2 GLN A 124 1.080 16.496 14.191 1.00 71.22 H new ATOM 0 HB3 GLN A 124 0.550 18.165 14.133 1.00 71.22 H new ATOM 0 HG2 GLN A 124 -0.987 16.879 15.497 1.00 34.40 H new ATOM 0 HG3 GLN A 124 -1.812 17.424 14.050 1.00 34.40 H new ATOM 0 HE21 GLN A 124 -3.337 15.717 14.038 1.00 21.23 H new ATOM 0 HE22 GLN A 124 -2.861 14.040 13.752 1.00 21.23 H new ATOM 1869 N SER A 125 -0.172 19.345 11.470 1.00 13.11 N ATOM 1870 CA SER A 125 -1.002 20.410 10.921 1.00 63.44 C ATOM 1871 C SER A 125 -0.863 20.487 9.400 1.00 62.04 C ATOM 1872 O SER A 125 -1.625 21.188 8.735 1.00 11.24 O ATOM 1873 CB SER A 125 -0.628 21.748 11.556 1.00 62.23 C ATOM 1874 OG SER A 125 -0.809 21.715 12.961 1.00 20.23 O ATOM 0 H SER A 125 0.794 19.616 11.655 1.00 13.11 H new ATOM 0 HA SER A 125 -2.043 20.185 11.154 1.00 63.44 H new ATOM 0 HB2 SER A 125 0.411 21.986 11.326 1.00 62.23 H new ATOM 0 HB3 SER A 125 -1.239 22.541 11.126 1.00 62.23 H new ATOM 0 HG SER A 125 -0.561 22.583 13.343 1.00 20.23 H new ATOM 1880 N PHE A 126 0.116 19.762 8.857 1.00 55.24 N ATOM 1881 CA PHE A 126 0.346 19.734 7.414 1.00 31.44 C ATOM 1882 C PHE A 126 -0.658 18.805 6.743 1.00 23.35 C ATOM 1883 O PHE A 126 -1.255 19.151 5.724 1.00 64.40 O ATOM 1884 CB PHE A 126 1.774 19.268 7.106 1.00 5.42 C ATOM 1885 CG PHE A 126 2.150 19.359 5.651 1.00 43.23 C ATOM 1886 CD1 PHE A 126 2.648 20.540 5.124 1.00 34.13 C ATOM 1887 CD2 PHE A 126 2.010 18.263 4.813 1.00 21.24 C ATOM 1888 CE1 PHE A 126 2.997 20.627 3.789 1.00 3.43 C ATOM 1889 CE2 PHE A 126 2.357 18.344 3.478 1.00 23.41 C ATOM 1890 CZ PHE A 126 2.852 19.528 2.966 1.00 41.24 C ATOM 0 H PHE A 126 0.762 19.186 9.396 1.00 55.24 H new ATOM 0 HA PHE A 126 0.216 20.743 7.023 1.00 31.44 H new ATOM 0 HB2 PHE A 126 2.474 19.867 7.689 1.00 5.42 H new ATOM 0 HB3 PHE A 126 1.887 18.235 7.435 1.00 5.42 H new ATOM 0 HD1 PHE A 126 2.765 21.402 5.764 1.00 34.13 H new ATOM 0 HD2 PHE A 126 1.625 17.335 5.209 1.00 21.24 H new ATOM 0 HE1 PHE A 126 3.383 21.554 3.390 1.00 3.43 H new ATOM 0 HE2 PHE A 126 2.242 17.483 2.836 1.00 23.41 H new ATOM 0 HZ PHE A 126 3.125 19.594 1.923 1.00 41.24 H new ATOM 1900 N GLU A 127 -0.842 17.626 7.337 1.00 2.20 N ATOM 1901 CA GLU A 127 -1.776 16.630 6.819 1.00 74.21 C ATOM 1902 C GLU A 127 -3.223 17.073 7.039 1.00 13.00 C ATOM 1903 O GLU A 127 -4.146 16.535 6.427 1.00 70.13 O ATOM 1904 CB GLU A 127 -1.526 15.278 7.493 1.00 62.44 C ATOM 1905 CG GLU A 127 -1.696 15.306 9.005 1.00 21.40 C ATOM 1906 CD GLU A 127 -1.208 14.037 9.673 1.00 32.20 C ATOM 1907 OE1 GLU A 127 -1.927 13.017 9.608 1.00 43.30 O ATOM 1908 OE2 GLU A 127 -0.108 14.063 10.263 1.00 50.51 O1- ATOM 0 H GLU A 127 -0.352 17.337 8.184 1.00 2.20 H new ATOM 0 HA GLU A 127 -1.612 16.529 5.746 1.00 74.21 H new ATOM 0 HB2 GLU A 127 -2.210 14.541 7.073 1.00 62.44 H new ATOM 0 HB3 GLU A 127 -0.515 14.946 7.256 1.00 62.44 H new ATOM 0 HG2 GLU A 127 -1.151 16.158 9.412 1.00 21.40 H new ATOM 0 HG3 GLU A 127 -2.749 15.456 9.245 1.00 21.40 H new ATOM 1915 N GLN A 128 -3.405 18.056 7.921 1.00 53.35 N ATOM 1916 CA GLN A 128 -4.726 18.593 8.225 1.00 70.25 C ATOM 1917 C GLN A 128 -5.234 19.451 7.069 1.00 60.34 C ATOM 1918 O GLN A 128 -6.410 19.393 6.707 1.00 75.44 O ATOM 1919 CB GLN A 128 -4.667 19.422 9.512 1.00 10.01 C ATOM 1920 CG GLN A 128 -6.009 19.989 9.945 1.00 62.21 C ATOM 1921 CD GLN A 128 -5.890 20.905 11.148 1.00 34.24 C ATOM 1922 OE1 GLN A 128 -5.695 22.112 11.006 1.00 71.43 O ATOM 1923 NE2 GLN A 128 -6.006 20.334 12.341 1.00 3.22 N ATOM 0 H GLN A 128 -2.646 18.498 8.440 1.00 53.35 H new ATOM 0 HA GLN A 128 -5.417 17.762 8.367 1.00 70.25 H new ATOM 0 HB2 GLN A 128 -4.271 18.800 10.315 1.00 10.01 H new ATOM 0 HB3 GLN A 128 -3.966 20.244 9.370 1.00 10.01 H new ATOM 0 HG2 GLN A 128 -6.452 20.540 9.115 1.00 62.21 H new ATOM 0 HG3 GLN A 128 -6.687 19.169 10.182 1.00 62.21 H new ATOM 0 HE21 GLN A 128 -6.167 19.329 12.412 1.00 3.22 H new ATOM 0 HE22 GLN A 128 -5.934 20.900 13.186 1.00 3.22 H new ATOM 1932 N VAL A 129 -4.331 20.241 6.489 1.00 52.22 N ATOM 1933 CA VAL A 129 -4.671 21.114 5.369 1.00 22.34 C ATOM 1934 C VAL A 129 -4.801 20.313 4.073 1.00 31.31 C ATOM 1935 O VAL A 129 -5.599 20.653 3.197 1.00 12.30 O ATOM 1936 CB VAL A 129 -3.613 22.225 5.183 1.00 11.54 C ATOM 1937 CG1 VAL A 129 -4.042 23.211 4.108 1.00 31.31 C ATOM 1938 CG2 VAL A 129 -3.359 22.949 6.497 1.00 52.41 C ATOM 0 H VAL A 129 -3.354 20.293 6.779 1.00 52.22 H new ATOM 0 HA VAL A 129 -5.630 21.578 5.600 1.00 22.34 H new ATOM 0 HB VAL A 129 -2.684 21.754 4.861 1.00 11.54 H new ATOM 0 HG11 VAL A 129 -3.280 23.983 3.997 1.00 31.31 H new ATOM 0 HG12 VAL A 129 -4.167 22.685 3.161 1.00 31.31 H new ATOM 0 HG13 VAL A 129 -4.987 23.673 4.394 1.00 31.31 H new ATOM 0 HG21 VAL A 129 -2.611 23.727 6.345 1.00 52.41 H new ATOM 0 HG22 VAL A 129 -4.287 23.401 6.849 1.00 52.41 H new ATOM 0 HG23 VAL A 129 -2.997 22.238 7.240 1.00 52.41 H new ATOM 1948 N VAL A 130 -4.017 19.240 3.963 1.00 21.12 N ATOM 1949 CA VAL A 130 -4.045 18.382 2.781 1.00 62.21 C ATOM 1950 C VAL A 130 -5.356 17.597 2.705 1.00 32.14 C ATOM 1951 O VAL A 130 -5.888 17.370 1.622 1.00 22.20 O ATOM 1952 CB VAL A 130 -2.853 17.398 2.771 1.00 32.44 C ATOM 1953 CG1 VAL A 130 -2.934 16.447 1.585 1.00 23.44 C ATOM 1954 CG2 VAL A 130 -1.535 18.157 2.750 1.00 2.30 C ATOM 0 H VAL A 130 -3.354 18.945 4.680 1.00 21.12 H new ATOM 0 HA VAL A 130 -3.968 19.033 1.910 1.00 62.21 H new ATOM 0 HB VAL A 130 -2.902 16.805 3.684 1.00 32.44 H new ATOM 0 HG11 VAL A 130 -2.082 15.767 1.605 1.00 23.44 H new ATOM 0 HG12 VAL A 130 -3.858 15.872 1.642 1.00 23.44 H new ATOM 0 HG13 VAL A 130 -2.919 17.020 0.658 1.00 23.44 H new ATOM 0 HG21 VAL A 130 -0.707 17.448 2.743 1.00 2.30 H new ATOM 0 HG22 VAL A 130 -1.488 18.779 1.856 1.00 2.30 H new ATOM 0 HG23 VAL A 130 -1.465 18.789 3.636 1.00 2.30 H new ATOM 1964 N ASN A 131 -5.880 17.200 3.861 1.00 62.35 N ATOM 1965 CA ASN A 131 -7.128 16.444 3.912 1.00 15.13 C ATOM 1966 C ASN A 131 -8.327 17.376 4.113 1.00 62.24 C ATOM 1967 O ASN A 131 -9.412 16.937 4.498 1.00 44.43 O ATOM 1968 CB ASN A 131 -7.069 15.406 5.036 1.00 1.33 C ATOM 1969 CG ASN A 131 -7.869 14.157 4.714 1.00 43.42 C ATOM 1970 OD1 ASN A 131 -9.047 14.053 5.057 1.00 41.44 O ATOM 1971 ND2 ASN A 131 -7.230 13.201 4.050 1.00 72.21 N ATOM 0 H ASN A 131 -5.462 17.388 4.772 1.00 62.35 H new ATOM 0 HA ASN A 131 -7.255 15.930 2.959 1.00 15.13 H new ATOM 0 HB2 ASN A 131 -6.030 15.131 5.219 1.00 1.33 H new ATOM 0 HB3 ASN A 131 -7.448 15.850 5.957 1.00 1.33 H new ATOM 0 HD21 ASN A 131 -7.716 12.338 3.804 1.00 72.21 H new ATOM 0 HD22 ASN A 131 -6.253 13.329 3.785 1.00 72.21 H new ATOM 1978 N GLU A 132 -8.127 18.662 3.839 1.00 40.21 N ATOM 1979 CA GLU A 132 -9.189 19.650 3.987 1.00 4.42 C ATOM 1980 C GLU A 132 -9.652 20.157 2.623 1.00 0.33 C ATOM 1981 O GLU A 132 -10.834 20.073 2.289 1.00 34.43 O ATOM 1982 CB GLU A 132 -8.709 20.821 4.850 1.00 63.23 C ATOM 1983 CG GLU A 132 -9.804 21.818 5.198 1.00 31.12 C ATOM 1984 CD GLU A 132 -10.903 21.207 6.047 1.00 11.25 C ATOM 1985 OE1 GLU A 132 -11.954 20.837 5.482 1.00 5.51 O ATOM 1986 OE2 GLU A 132 -10.713 21.100 7.277 1.00 42.21 O1- ATOM 0 H GLU A 132 -7.239 19.043 3.513 1.00 40.21 H new ATOM 0 HA GLU A 132 -10.034 19.171 4.481 1.00 4.42 H new ATOM 0 HB2 GLU A 132 -8.282 20.429 5.773 1.00 63.23 H new ATOM 0 HB3 GLU A 132 -7.909 21.343 4.325 1.00 63.23 H new ATOM 0 HG2 GLU A 132 -9.366 22.662 5.731 1.00 31.12 H new ATOM 0 HG3 GLU A 132 -10.237 22.212 4.278 1.00 31.12 H new ATOM 1993 N LEU A 133 -8.713 20.680 1.839 1.00 43.41 N ATOM 1994 CA LEU A 133 -9.026 21.201 0.510 1.00 30.13 C ATOM 1995 C LEU A 133 -8.654 20.193 -0.575 1.00 24.24 C ATOM 1996 O LEU A 133 -9.326 20.100 -1.603 1.00 34.34 O ATOM 1997 CB LEU A 133 -8.313 22.537 0.256 1.00 74.13 C ATOM 1998 CG LEU A 133 -7.129 22.854 1.177 1.00 42.24 C ATOM 1999 CD1 LEU A 133 -6.053 23.610 0.416 1.00 34.23 C ATOM 2000 CD2 LEU A 133 -7.591 23.668 2.379 1.00 20.31 C ATOM 0 H LEU A 133 -7.730 20.755 2.100 1.00 43.41 H new ATOM 0 HA LEU A 133 -10.102 21.372 0.471 1.00 30.13 H new ATOM 0 HB2 LEU A 133 -7.958 22.546 -0.775 1.00 74.13 H new ATOM 0 HB3 LEU A 133 -9.045 23.340 0.349 1.00 74.13 H new ATOM 0 HG LEU A 133 -6.710 21.913 1.533 1.00 42.24 H new ATOM 0 HD11 LEU A 133 -5.220 23.827 1.084 1.00 34.23 H new ATOM 0 HD12 LEU A 133 -5.701 23.002 -0.417 1.00 34.23 H new ATOM 0 HD13 LEU A 133 -6.465 24.544 0.034 1.00 34.23 H new ATOM 0 HD21 LEU A 133 -6.738 23.884 3.022 1.00 20.31 H new ATOM 0 HD22 LEU A 133 -8.033 24.604 2.037 1.00 20.31 H new ATOM 0 HD23 LEU A 133 -8.333 23.100 2.940 1.00 20.31 H new ATOM 2012 N PHE A 134 -7.581 19.439 -0.341 1.00 54.13 N ATOM 2013 CA PHE A 134 -7.127 18.435 -1.301 1.00 63.14 C ATOM 2014 C PHE A 134 -7.539 17.033 -0.855 1.00 43.10 C ATOM 2015 O PHE A 134 -6.816 16.061 -1.084 1.00 40.33 O ATOM 2016 CB PHE A 134 -5.605 18.497 -1.468 1.00 74.12 C ATOM 2017 CG PHE A 134 -5.083 19.855 -1.843 1.00 31.43 C ATOM 2018 CD1 PHE A 134 -5.597 20.537 -2.935 1.00 50.23 C ATOM 2019 CD2 PHE A 134 -4.074 20.447 -1.103 1.00 34.14 C ATOM 2020 CE1 PHE A 134 -5.113 21.784 -3.280 1.00 42.50 C ATOM 2021 CE2 PHE A 134 -3.587 21.693 -1.443 1.00 64.34 C ATOM 2022 CZ PHE A 134 -4.107 22.363 -2.533 1.00 41.30 C ATOM 0 H PHE A 134 -7.011 19.504 0.503 1.00 54.13 H new ATOM 0 HA PHE A 134 -7.598 18.652 -2.260 1.00 63.14 H new ATOM 0 HB2 PHE A 134 -5.135 18.184 -0.536 1.00 74.12 H new ATOM 0 HB3 PHE A 134 -5.305 17.781 -2.233 1.00 74.12 H new ATOM 0 HD1 PHE A 134 -6.384 20.088 -3.522 1.00 50.23 H new ATOM 0 HD2 PHE A 134 -3.663 19.928 -0.250 1.00 34.14 H new ATOM 0 HE1 PHE A 134 -5.521 22.305 -4.133 1.00 42.50 H new ATOM 0 HE2 PHE A 134 -2.800 22.144 -0.857 1.00 64.34 H new ATOM 0 HZ PHE A 134 -3.727 23.338 -2.800 1.00 41.30 H new ATOM 2032 N ARG A 135 -8.710 16.936 -0.223 1.00 72.13 N ATOM 2033 CA ARG A 135 -9.224 15.655 0.262 1.00 14.02 C ATOM 2034 C ARG A 135 -9.644 14.746 -0.896 1.00 12.25 C ATOM 2035 O ARG A 135 -9.834 13.543 -0.713 1.00 25.54 O ATOM 2036 CB ARG A 135 -10.396 15.878 1.227 1.00 51.01 C ATOM 2037 CG ARG A 135 -11.437 16.869 0.725 1.00 3.33 C ATOM 2038 CD ARG A 135 -12.687 16.164 0.222 1.00 41.35 C ATOM 2039 NE ARG A 135 -13.357 15.410 1.279 1.00 15.33 N ATOM 2040 CZ ARG A 135 -14.297 14.495 1.054 1.00 70.32 C ATOM 2041 NH1 ARG A 135 -14.678 14.218 -0.186 1.00 54.21 N1+ ATOM 2042 NH2 ARG A 135 -14.857 13.856 2.071 1.00 54.11 N ATOM 0 H ARG A 135 -9.321 17.731 -0.035 1.00 72.13 H new ATOM 0 HA ARG A 135 -8.419 15.154 0.800 1.00 14.02 H new ATOM 0 HB2 ARG A 135 -10.883 14.921 1.417 1.00 51.01 H new ATOM 0 HB3 ARG A 135 -10.005 16.231 2.181 1.00 51.01 H new ATOM 0 HG2 ARG A 135 -11.704 17.555 1.529 1.00 3.33 H new ATOM 0 HG3 ARG A 135 -11.010 17.470 -0.078 1.00 3.33 H new ATOM 0 HD2 ARG A 135 -13.377 16.901 -0.190 1.00 41.35 H new ATOM 0 HD3 ARG A 135 -12.419 15.488 -0.590 1.00 41.35 H new ATOM 0 HE ARG A 135 -13.089 15.596 2.245 1.00 15.33 H new ATOM 0 HH11 ARG A 135 -14.250 14.707 -0.972 1.00 54.21 H new ATOM 0 HH12 ARG A 135 -15.399 13.516 -0.353 1.00 54.21 H new ATOM 0 HH21 ARG A 135 -14.568 14.065 3.026 1.00 54.11 H new ATOM 0 HH22 ARG A 135 -15.577 13.155 1.898 1.00 54.11 H new ATOM 2056 N ASP A 136 -9.785 15.329 -2.084 1.00 34.00 N ATOM 2057 CA ASP A 136 -10.160 14.574 -3.274 1.00 23.21 C ATOM 2058 C ASP A 136 -8.931 14.301 -4.140 1.00 12.24 C ATOM 2059 O ASP A 136 -9.022 14.261 -5.367 1.00 13.01 O ATOM 2060 CB ASP A 136 -11.208 15.340 -4.087 1.00 12.15 C ATOM 2061 CG ASP A 136 -12.513 15.517 -3.338 1.00 41.24 C ATOM 2062 OD1 ASP A 136 -12.876 16.676 -3.045 1.00 31.33 O ATOM 2063 OD2 ASP A 136 -13.173 14.498 -3.044 1.00 31.34 O1- ATOM 0 H ASP A 136 -9.644 16.326 -2.247 1.00 34.00 H new ATOM 0 HA ASP A 136 -10.587 13.623 -2.955 1.00 23.21 H new ATOM 0 HB2 ASP A 136 -10.811 16.319 -4.353 1.00 12.15 H new ATOM 0 HB3 ASP A 136 -11.398 14.809 -5.020 1.00 12.15 H new ATOM 2068 N GLY A 137 -7.785 14.098 -3.484 1.00 44.32 N ATOM 2069 CA GLY A 137 -6.540 13.840 -4.194 1.00 35.12 C ATOM 2070 C GLY A 137 -6.420 12.415 -4.709 1.00 75.04 C ATOM 2071 O GLY A 137 -5.336 11.984 -5.102 1.00 42.11 O ATOM 0 H GLY A 137 -7.699 14.108 -2.468 1.00 44.32 H new ATOM 0 HA2 GLY A 137 -6.461 14.530 -5.034 1.00 35.12 H new ATOM 0 HA3 GLY A 137 -5.702 14.050 -3.529 1.00 35.12 H new ATOM 2075 N VAL A 138 -7.535 11.687 -4.714 1.00 35.22 N ATOM 2076 CA VAL A 138 -7.556 10.308 -5.192 1.00 35.12 C ATOM 2077 C VAL A 138 -7.715 10.270 -6.715 1.00 75.24 C ATOM 2078 O VAL A 138 -7.919 9.211 -7.309 1.00 74.33 O ATOM 2079 CB VAL A 138 -8.700 9.500 -4.535 1.00 14.54 C ATOM 2080 CG1 VAL A 138 -8.354 8.019 -4.481 1.00 12.53 C ATOM 2081 CG2 VAL A 138 -9.008 10.026 -3.138 1.00 54.32 C ATOM 0 H VAL A 138 -8.439 12.032 -4.391 1.00 35.22 H new ATOM 0 HA VAL A 138 -6.606 9.852 -4.914 1.00 35.12 H new ATOM 0 HB VAL A 138 -9.592 9.623 -5.150 1.00 14.54 H new ATOM 0 HG11 VAL A 138 -9.173 7.471 -4.015 1.00 12.53 H new ATOM 0 HG12 VAL A 138 -8.196 7.645 -5.493 1.00 12.53 H new ATOM 0 HG13 VAL A 138 -7.445 7.879 -3.896 1.00 12.53 H new ATOM 0 HG21 VAL A 138 -9.816 9.441 -2.699 1.00 54.32 H new ATOM 0 HG22 VAL A 138 -8.118 9.943 -2.514 1.00 54.32 H new ATOM 0 HG23 VAL A 138 -9.310 11.071 -3.201 1.00 54.32 H new ATOM 2091 N ASN A 139 -7.618 11.443 -7.338 1.00 21.43 N ATOM 2092 CA ASN A 139 -7.741 11.563 -8.785 1.00 1.11 C ATOM 2093 C ASN A 139 -6.365 11.750 -9.420 1.00 63.12 C ATOM 2094 O ASN A 139 -5.411 12.146 -8.749 1.00 35.44 O ATOM 2095 CB ASN A 139 -8.653 12.742 -9.139 1.00 32.13 C ATOM 2096 CG ASN A 139 -9.382 12.544 -10.455 1.00 40.14 C ATOM 2097 OD1 ASN A 139 -8.822 13.081 -11.533 1.00 63.25 O flip ATOM 2098 ND2 ASN A 139 -10.443 11.922 -10.500 1.00 74.42 N flip ATOM 0 H ASN A 139 -7.454 12.328 -6.857 1.00 21.43 H new ATOM 0 HA ASN A 139 -8.183 10.647 -9.177 1.00 1.11 H new ATOM 0 HB2 ASN A 139 -9.383 12.884 -8.342 1.00 32.13 H new ATOM 0 HB3 ASN A 139 -8.058 13.654 -9.192 1.00 32.13 H new ATOM 0 HD21 ASN A 139 -10.838 11.526 -9.647 1.00 74.42 H new ATOM 0 HD22 ASN A 139 -10.927 11.803 -11.390 1.00 74.42 H new ATOM 2105 N TRP A 140 -6.274 11.468 -10.717 1.00 54.33 N ATOM 2106 CA TRP A 140 -5.017 11.590 -11.454 1.00 61.13 C ATOM 2107 C TRP A 140 -4.673 13.050 -11.756 1.00 40.24 C ATOM 2108 O TRP A 140 -3.553 13.357 -12.169 1.00 42.12 O ATOM 2109 CB TRP A 140 -5.099 10.795 -12.761 1.00 54.30 C ATOM 2110 CG TRP A 140 -5.095 9.307 -12.563 1.00 12.32 C ATOM 2111 CD1 TRP A 140 -4.018 8.473 -12.663 1.00 2.44 C ATOM 2112 CD2 TRP A 140 -6.217 8.474 -12.237 1.00 0.43 C ATOM 2113 NE1 TRP A 140 -4.400 7.176 -12.417 1.00 60.20 N ATOM 2114 CE2 TRP A 140 -5.743 7.150 -12.152 1.00 11.14 C ATOM 2115 CE3 TRP A 140 -7.574 8.719 -12.005 1.00 43.34 C ATOM 2116 CZ2 TRP A 140 -6.579 6.078 -11.846 1.00 33.21 C ATOM 2117 CZ3 TRP A 140 -8.401 7.654 -11.702 1.00 62.13 C ATOM 2118 CH2 TRP A 140 -7.901 6.348 -11.625 1.00 55.42 C ATOM 0 H TRP A 140 -7.061 11.151 -11.283 1.00 54.33 H new ATOM 0 HA TRP A 140 -4.224 11.185 -10.825 1.00 61.13 H new ATOM 0 HB2 TRP A 140 -6.007 11.080 -13.293 1.00 54.30 H new ATOM 0 HB3 TRP A 140 -4.258 11.070 -13.397 1.00 54.30 H new ATOM 0 HD1 TRP A 140 -3.012 8.787 -12.901 1.00 2.44 H new ATOM 0 HE1 TRP A 140 -3.783 6.364 -12.430 1.00 60.20 H new ATOM 0 HE3 TRP A 140 -7.969 9.723 -12.062 1.00 43.34 H new ATOM 0 HZ2 TRP A 140 -6.196 5.070 -11.786 1.00 33.21 H new ATOM 0 HZ3 TRP A 140 -9.451 7.832 -11.521 1.00 62.13 H new ATOM 0 HH2 TRP A 140 -8.574 5.537 -11.386 1.00 55.42 H new ATOM 2129 N GLY A 141 -5.635 13.946 -11.548 1.00 64.25 N ATOM 2130 CA GLY A 141 -5.406 15.356 -11.809 1.00 31.02 C ATOM 2131 C GLY A 141 -5.430 16.202 -10.549 1.00 22.22 C ATOM 2132 O GLY A 141 -4.954 17.338 -10.550 1.00 14.23 O ATOM 0 H GLY A 141 -6.568 13.720 -11.204 1.00 64.25 H new ATOM 0 HA2 GLY A 141 -4.442 15.477 -12.303 1.00 31.02 H new ATOM 0 HA3 GLY A 141 -6.166 15.721 -12.500 1.00 31.02 H new ATOM 2136 N ARG A 142 -5.982 15.650 -9.470 1.00 73.43 N ATOM 2137 CA ARG A 142 -6.069 16.371 -8.202 1.00 35.51 C ATOM 2138 C ARG A 142 -4.829 16.137 -7.342 1.00 65.42 C ATOM 2139 O ARG A 142 -4.597 16.856 -6.369 1.00 75.45 O ATOM 2140 CB ARG A 142 -7.322 15.953 -7.428 1.00 24.11 C ATOM 2141 CG ARG A 142 -8.521 16.872 -7.633 1.00 21.43 C ATOM 2142 CD ARG A 142 -9.211 16.631 -8.969 1.00 70.43 C ATOM 2143 NE ARG A 142 -8.577 17.368 -10.059 1.00 22.41 N ATOM 2144 CZ ARG A 142 -8.942 17.266 -11.335 1.00 12.10 C ATOM 2145 NH1 ARG A 142 -9.937 16.459 -11.684 1.00 44.31 N1+ ATOM 2146 NH2 ARG A 142 -8.312 17.972 -12.263 1.00 70.32 N ATOM 0 H ARG A 142 -6.375 14.709 -9.448 1.00 73.43 H new ATOM 0 HA ARG A 142 -6.130 17.434 -8.434 1.00 35.51 H new ATOM 0 HB2 ARG A 142 -7.599 14.942 -7.726 1.00 24.11 H new ATOM 0 HB3 ARG A 142 -7.083 15.918 -6.365 1.00 24.11 H new ATOM 0 HG2 ARG A 142 -9.236 16.719 -6.824 1.00 21.43 H new ATOM 0 HG3 ARG A 142 -8.194 17.910 -7.577 1.00 21.43 H new ATOM 0 HD2 ARG A 142 -9.196 15.565 -9.197 1.00 70.43 H new ATOM 0 HD3 ARG A 142 -10.258 16.926 -8.894 1.00 70.43 H new ATOM 0 HE ARG A 142 -7.809 17.998 -9.829 1.00 22.41 H new ATOM 0 HH11 ARG A 142 -10.425 15.914 -10.973 1.00 44.31 H new ATOM 0 HH12 ARG A 142 -10.213 16.384 -12.663 1.00 44.31 H new ATOM 0 HH21 ARG A 142 -7.547 18.594 -11.999 1.00 70.32 H new ATOM 0 HH22 ARG A 142 -8.592 17.894 -13.241 1.00 70.32 H new ATOM 2160 N ILE A 143 -4.033 15.131 -7.705 1.00 31.43 N ATOM 2161 CA ILE A 143 -2.814 14.815 -6.966 1.00 43.20 C ATOM 2162 C ILE A 143 -1.692 15.792 -7.334 1.00 53.11 C ATOM 2163 O ILE A 143 -0.692 15.910 -6.625 1.00 4.22 O ATOM 2164 CB ILE A 143 -2.358 13.356 -7.222 1.00 72.55 C ATOM 2165 CG1 ILE A 143 -1.195 12.983 -6.294 1.00 22.11 C ATOM 2166 CG2 ILE A 143 -1.968 13.160 -8.682 1.00 61.31 C ATOM 2167 CD1 ILE A 143 -0.895 11.500 -6.255 1.00 62.43 C ATOM 0 H ILE A 143 -4.211 14.523 -8.505 1.00 31.43 H new ATOM 0 HA ILE A 143 -3.037 14.917 -5.904 1.00 43.20 H new ATOM 0 HB ILE A 143 -3.195 12.693 -7.003 1.00 72.55 H new ATOM 0 HG12 ILE A 143 -0.301 13.517 -6.616 1.00 22.11 H new ATOM 0 HG13 ILE A 143 -1.424 13.324 -5.285 1.00 22.11 H new ATOM 0 HG21 ILE A 143 -1.651 12.129 -8.839 1.00 61.31 H new ATOM 0 HG22 ILE A 143 -2.825 13.377 -9.320 1.00 61.31 H new ATOM 0 HG23 ILE A 143 -1.149 13.833 -8.933 1.00 61.31 H new ATOM 0 HD11 ILE A 143 -0.061 11.315 -5.578 1.00 62.43 H new ATOM 0 HD12 ILE A 143 -1.774 10.960 -5.904 1.00 62.43 H new ATOM 0 HD13 ILE A 143 -0.633 11.155 -7.255 1.00 62.43 H new ATOM 2179 N VAL A 144 -1.881 16.506 -8.443 1.00 42.22 N ATOM 2180 CA VAL A 144 -0.905 17.485 -8.910 1.00 70.12 C ATOM 2181 C VAL A 144 -0.940 18.738 -8.032 1.00 13.34 C ATOM 2182 O VAL A 144 0.057 19.451 -7.903 1.00 50.21 O ATOM 2183 CB VAL A 144 -1.169 17.881 -10.379 1.00 63.44 C ATOM 2184 CG1 VAL A 144 -0.005 18.680 -10.943 1.00 60.24 C ATOM 2185 CG2 VAL A 144 -1.430 16.647 -11.231 1.00 34.33 C ATOM 0 H VAL A 144 -2.706 16.423 -9.036 1.00 42.22 H new ATOM 0 HA VAL A 144 0.080 17.023 -8.844 1.00 70.12 H new ATOM 0 HB VAL A 144 -2.058 18.511 -10.403 1.00 63.44 H new ATOM 0 HG11 VAL A 144 -0.215 18.947 -11.979 1.00 60.24 H new ATOM 0 HG12 VAL A 144 0.132 19.587 -10.355 1.00 60.24 H new ATOM 0 HG13 VAL A 144 0.903 18.079 -10.900 1.00 60.24 H new ATOM 0 HG21 VAL A 144 -1.614 16.949 -12.262 1.00 34.33 H new ATOM 0 HG22 VAL A 144 -0.561 15.989 -11.195 1.00 34.33 H new ATOM 0 HG23 VAL A 144 -2.302 16.118 -10.847 1.00 34.33 H new ATOM 2195 N ALA A 145 -2.099 18.986 -7.419 1.00 72.13 N ATOM 2196 CA ALA A 145 -2.283 20.138 -6.542 1.00 54.42 C ATOM 2197 C ALA A 145 -1.651 19.893 -5.173 1.00 14.40 C ATOM 2198 O ALA A 145 -1.468 20.823 -4.386 1.00 71.23 O ATOM 2199 CB ALA A 145 -3.764 20.451 -6.397 1.00 2.45 C ATOM 0 H ALA A 145 -2.927 18.399 -7.516 1.00 72.13 H new ATOM 0 HA ALA A 145 -1.783 20.995 -6.992 1.00 54.42 H new ATOM 0 HB1 ALA A 145 -3.891 21.312 -5.741 1.00 2.45 H new ATOM 0 HB2 ALA A 145 -4.186 20.676 -7.377 1.00 2.45 H new ATOM 0 HB3 ALA A 145 -4.278 19.590 -5.970 1.00 2.45 H new ATOM 2205 N PHE A 146 -1.325 18.630 -4.899 1.00 2.20 N ATOM 2206 CA PHE A 146 -0.698 18.242 -3.638 1.00 62.11 C ATOM 2207 C PHE A 146 0.751 18.730 -3.591 1.00 64.51 C ATOM 2208 O PHE A 146 1.282 19.036 -2.522 1.00 35.24 O ATOM 2209 CB PHE A 146 -0.764 16.716 -3.479 1.00 1.14 C ATOM 2210 CG PHE A 146 0.039 16.172 -2.328 1.00 4.25 C ATOM 2211 CD1 PHE A 146 1.116 15.331 -2.559 1.00 50.41 C ATOM 2212 CD2 PHE A 146 -0.284 16.497 -1.020 1.00 20.52 C ATOM 2213 CE1 PHE A 146 1.855 14.824 -1.508 1.00 22.33 C ATOM 2214 CE2 PHE A 146 0.453 15.993 0.035 1.00 10.24 C ATOM 2215 CZ PHE A 146 1.524 15.156 -0.209 1.00 73.52 C ATOM 0 H PHE A 146 -1.487 17.853 -5.540 1.00 2.20 H new ATOM 0 HA PHE A 146 -1.237 18.706 -2.812 1.00 62.11 H new ATOM 0 HB2 PHE A 146 -1.806 16.422 -3.350 1.00 1.14 H new ATOM 0 HB3 PHE A 146 -0.414 16.252 -4.401 1.00 1.14 H new ATOM 0 HD1 PHE A 146 1.381 15.069 -3.573 1.00 50.41 H new ATOM 0 HD2 PHE A 146 -1.121 17.151 -0.823 1.00 20.52 H new ATOM 0 HE1 PHE A 146 2.691 14.168 -1.702 1.00 22.33 H new ATOM 0 HE2 PHE A 146 0.191 16.254 1.050 1.00 10.24 H new ATOM 0 HZ PHE A 146 2.101 14.762 0.614 1.00 73.52 H new ATOM 2225 N PHE A 147 1.377 18.812 -4.763 1.00 11.32 N ATOM 2226 CA PHE A 147 2.760 19.266 -4.867 1.00 1.21 C ATOM 2227 C PHE A 147 2.836 20.792 -4.871 1.00 32.03 C ATOM 2228 O PHE A 147 3.865 21.369 -4.522 1.00 20.42 O ATOM 2229 CB PHE A 147 3.408 18.704 -6.135 1.00 1.02 C ATOM 2230 CG PHE A 147 3.437 17.202 -6.180 1.00 34.05 C ATOM 2231 CD1 PHE A 147 4.335 16.488 -5.402 1.00 44.02 C ATOM 2232 CD2 PHE A 147 2.565 16.504 -6.999 1.00 43.44 C ATOM 2233 CE1 PHE A 147 4.363 15.107 -5.440 1.00 2.22 C ATOM 2234 CE2 PHE A 147 2.588 15.122 -7.041 1.00 75.23 C ATOM 2235 CZ PHE A 147 3.488 14.423 -6.261 1.00 20.24 C ATOM 0 H PHE A 147 0.946 18.569 -5.655 1.00 11.32 H new ATOM 0 HA PHE A 147 3.304 18.899 -3.997 1.00 1.21 H new ATOM 0 HB2 PHE A 147 2.866 19.075 -7.005 1.00 1.02 H new ATOM 0 HB3 PHE A 147 4.428 19.081 -6.210 1.00 1.02 H new ATOM 0 HD1 PHE A 147 5.021 17.018 -4.758 1.00 44.02 H new ATOM 0 HD2 PHE A 147 1.859 17.045 -7.612 1.00 43.44 H new ATOM 0 HE1 PHE A 147 5.068 14.563 -4.829 1.00 2.22 H new ATOM 0 HE2 PHE A 147 1.902 14.590 -7.684 1.00 75.23 H new ATOM 0 HZ PHE A 147 3.508 13.344 -6.293 1.00 20.24 H new ATOM 2245 N SER A 148 1.739 21.440 -5.260 1.00 44.32 N ATOM 2246 CA SER A 148 1.682 22.899 -5.302 1.00 41.34 C ATOM 2247 C SER A 148 1.724 23.485 -3.892 1.00 63.02 C ATOM 2248 O SER A 148 2.271 24.566 -3.674 1.00 11.15 O ATOM 2249 CB SER A 148 0.414 23.358 -6.025 1.00 15.04 C ATOM 2250 OG SER A 148 0.422 24.760 -6.234 1.00 33.54 O ATOM 0 H SER A 148 0.878 20.977 -5.551 1.00 44.32 H new ATOM 0 HA SER A 148 2.553 23.259 -5.850 1.00 41.34 H new ATOM 0 HB2 SER A 148 0.333 22.845 -6.983 1.00 15.04 H new ATOM 0 HB3 SER A 148 -0.462 23.080 -5.440 1.00 15.04 H new ATOM 0 HG SER A 148 -0.313 25.006 -6.834 1.00 33.54 H new ATOM 2256 N PHE A 149 1.145 22.758 -2.938 1.00 60.53 N ATOM 2257 CA PHE A 149 1.121 23.191 -1.544 1.00 53.25 C ATOM 2258 C PHE A 149 2.387 22.738 -0.816 1.00 43.24 C ATOM 2259 O PHE A 149 2.889 23.433 0.068 1.00 32.13 O ATOM 2260 CB PHE A 149 -0.129 22.638 -0.847 1.00 71.21 C ATOM 2261 CG PHE A 149 -0.153 22.856 0.643 1.00 41.30 C ATOM 2262 CD1 PHE A 149 -0.104 24.136 1.174 1.00 34.43 C ATOM 2263 CD2 PHE A 149 -0.225 21.777 1.511 1.00 11.54 C ATOM 2264 CE1 PHE A 149 -0.126 24.334 2.542 1.00 1.15 C ATOM 2265 CE2 PHE A 149 -0.248 21.971 2.879 1.00 32.33 C ATOM 2266 CZ PHE A 149 -0.198 23.251 3.395 1.00 71.42 C ATOM 0 H PHE A 149 0.685 21.863 -3.107 1.00 60.53 H new ATOM 0 HA PHE A 149 1.087 24.280 -1.516 1.00 53.25 H new ATOM 0 HB2 PHE A 149 -1.012 23.104 -1.285 1.00 71.21 H new ATOM 0 HB3 PHE A 149 -0.200 21.569 -1.048 1.00 71.21 H new ATOM 0 HD1 PHE A 149 -0.048 24.987 0.512 1.00 34.43 H new ATOM 0 HD2 PHE A 149 -0.264 20.774 1.113 1.00 11.54 H new ATOM 0 HE1 PHE A 149 -0.087 25.336 2.943 1.00 1.15 H new ATOM 0 HE2 PHE A 149 -0.305 21.122 3.544 1.00 32.33 H new ATOM 0 HZ PHE A 149 -0.215 23.404 4.464 1.00 71.42 H new ATOM 2276 N GLY A 150 2.905 21.574 -1.206 1.00 53.35 N ATOM 2277 CA GLY A 150 4.108 21.047 -0.584 1.00 14.43 C ATOM 2278 C GLY A 150 5.382 21.562 -1.234 1.00 20.20 C ATOM 2279 O GLY A 150 6.460 21.004 -1.027 1.00 21.02 O ATOM 0 H GLY A 150 2.512 20.987 -1.942 1.00 53.35 H new ATOM 0 HA2 GLY A 150 4.112 21.314 0.473 1.00 14.43 H new ATOM 0 HA3 GLY A 150 4.092 19.958 -0.638 1.00 14.43 H new ATOM 2283 N GLY A 151 5.255 22.626 -2.020 1.00 22.22 N ATOM 2284 CA GLY A 151 6.405 23.206 -2.687 1.00 54.03 C ATOM 2285 C GLY A 151 6.343 24.720 -2.724 1.00 31.24 C ATOM 2286 O GLY A 151 7.183 25.367 -3.349 1.00 21.32 O ATOM 0 H GLY A 151 4.371 23.099 -2.207 1.00 22.22 H new ATOM 0 HA2 GLY A 151 7.315 22.894 -2.175 1.00 54.03 H new ATOM 0 HA3 GLY A 151 6.464 22.822 -3.705 1.00 54.03 H new ATOM 2290 N ALA A 152 5.343 25.283 -2.049 1.00 51.32 N ATOM 2291 CA ALA A 152 5.163 26.730 -1.999 1.00 32.42 C ATOM 2292 C ALA A 152 5.847 27.332 -0.774 1.00 3.21 C ATOM 2293 O ALA A 152 5.933 28.553 -0.635 1.00 11.44 O ATOM 2294 CB ALA A 152 3.682 27.072 -1.997 1.00 63.13 C ATOM 0 H ALA A 152 4.643 24.755 -1.527 1.00 51.32 H new ATOM 0 HA ALA A 152 5.628 27.160 -2.886 1.00 32.42 H new ATOM 0 HB1 ALA A 152 3.559 28.154 -1.959 1.00 63.13 H new ATOM 0 HB2 ALA A 152 3.218 26.685 -2.904 1.00 63.13 H new ATOM 0 HB3 ALA A 152 3.206 26.622 -1.126 1.00 63.13 H new ATOM 2300 N LEU A 153 6.333 26.465 0.112 1.00 32.11 N ATOM 2301 CA LEU A 153 7.011 26.905 1.328 1.00 31.34 C ATOM 2302 C LEU A 153 8.526 26.933 1.127 1.00 2.33 C ATOM 2303 O LEU A 153 9.286 27.005 2.092 1.00 22.33 O ATOM 2304 CB LEU A 153 6.661 25.982 2.505 1.00 45.23 C ATOM 2305 CG LEU A 153 5.309 26.241 3.189 1.00 11.41 C ATOM 2306 CD1 LEU A 153 5.145 27.715 3.527 1.00 2.13 C ATOM 2307 CD2 LEU A 153 4.157 25.760 2.319 1.00 42.32 C ATOM 0 H LEU A 153 6.269 25.452 0.010 1.00 32.11 H new ATOM 0 HA LEU A 153 6.669 27.915 1.554 1.00 31.34 H new ATOM 0 HB2 LEU A 153 6.673 24.952 2.149 1.00 45.23 H new ATOM 0 HB3 LEU A 153 7.447 26.069 3.255 1.00 45.23 H new ATOM 0 HG LEU A 153 5.292 25.674 4.120 1.00 11.41 H new ATOM 0 HD11 LEU A 153 4.181 27.872 4.010 1.00 2.13 H new ATOM 0 HD12 LEU A 153 5.943 28.025 4.201 1.00 2.13 H new ATOM 0 HD13 LEU A 153 5.193 28.306 2.612 1.00 2.13 H new ATOM 0 HD21 LEU A 153 3.212 25.955 2.826 1.00 42.32 H new ATOM 0 HD22 LEU A 153 4.174 26.290 1.367 1.00 42.32 H new ATOM 0 HD23 LEU A 153 4.259 24.690 2.140 1.00 42.32 H new ATOM 2319 N CYS A 154 8.956 26.885 -0.133 1.00 22.54 N ATOM 2320 CA CYS A 154 10.379 26.904 -0.466 1.00 61.42 C ATOM 2321 C CYS A 154 10.957 28.314 -0.347 1.00 64.22 C ATOM 2322 O CYS A 154 12.148 28.486 -0.086 1.00 65.43 O ATOM 2323 CB CYS A 154 10.597 26.366 -1.882 1.00 71.15 C ATOM 2324 SG CYS A 154 9.797 27.341 -3.179 1.00 10.33 S ATOM 0 H CYS A 154 8.337 26.833 -0.942 1.00 22.54 H new ATOM 0 HA CYS A 154 10.899 26.263 0.246 1.00 61.42 H new ATOM 0 HB2 CYS A 154 11.668 26.326 -2.082 1.00 71.15 H new ATOM 0 HB3 CYS A 154 10.225 25.343 -1.931 1.00 71.15 H new ATOM 0 HG CYS A 154 8.751 26.706 -3.617 1.00 10.33 H new ATOM 2330 N VAL A 155 10.103 29.317 -0.538 1.00 23.04 N ATOM 2331 CA VAL A 155 10.523 30.712 -0.452 1.00 44.04 C ATOM 2332 C VAL A 155 10.377 31.247 0.970 1.00 23.14 C ATOM 2333 O VAL A 155 10.985 32.256 1.327 1.00 14.41 O ATOM 2334 CB VAL A 155 9.715 31.609 -1.416 1.00 33.00 C ATOM 2335 CG1 VAL A 155 10.090 31.317 -2.860 1.00 31.42 C ATOM 2336 CG2 VAL A 155 8.217 31.425 -1.204 1.00 51.41 C ATOM 0 H VAL A 155 9.114 29.188 -0.754 1.00 23.04 H new ATOM 0 HA VAL A 155 11.574 30.741 -0.740 1.00 44.04 H new ATOM 0 HB VAL A 155 9.963 32.648 -1.199 1.00 33.00 H new ATOM 0 HG11 VAL A 155 9.510 31.959 -3.523 1.00 31.42 H new ATOM 0 HG12 VAL A 155 11.153 31.510 -3.006 1.00 31.42 H new ATOM 0 HG13 VAL A 155 9.876 30.273 -3.087 1.00 31.42 H new ATOM 0 HG21 VAL A 155 7.670 32.067 -1.894 1.00 51.41 H new ATOM 0 HG22 VAL A 155 7.949 30.384 -1.387 1.00 51.41 H new ATOM 0 HG23 VAL A 155 7.959 31.692 -0.179 1.00 51.41 H new ATOM 2346 N GLU A 156 9.570 30.559 1.777 1.00 62.51 N ATOM 2347 CA GLU A 156 9.334 30.959 3.161 1.00 15.51 C ATOM 2348 C GLU A 156 10.413 30.396 4.085 1.00 32.42 C ATOM 2349 O GLU A 156 10.700 30.965 5.139 1.00 14.41 O ATOM 2350 CB GLU A 156 7.948 30.479 3.611 1.00 12.22 C ATOM 2351 CG GLU A 156 7.522 30.996 4.979 1.00 20.13 C ATOM 2352 CD GLU A 156 7.291 32.494 4.995 1.00 71.11 C ATOM 2353 OE1 GLU A 156 6.149 32.922 4.721 1.00 11.52 O ATOM 2354 OE2 GLU A 156 8.249 33.240 5.284 1.00 0.55 O1- ATOM 0 H GLU A 156 9.067 29.718 1.493 1.00 62.51 H new ATOM 0 HA GLU A 156 9.375 32.047 3.218 1.00 15.51 H new ATOM 0 HB2 GLU A 156 7.210 30.790 2.871 1.00 12.22 H new ATOM 0 HB3 GLU A 156 7.941 29.389 3.629 1.00 12.22 H new ATOM 0 HG2 GLU A 156 6.607 30.489 5.285 1.00 20.13 H new ATOM 0 HG3 GLU A 156 8.288 30.743 5.712 1.00 20.13 H new ATOM 2361 N SER A 157 11.016 29.282 3.673 1.00 45.42 N ATOM 2362 CA SER A 157 12.058 28.630 4.461 1.00 1.41 C ATOM 2363 C SER A 157 13.332 29.470 4.525 1.00 64.54 C ATOM 2364 O SER A 157 13.857 29.731 5.604 1.00 24.21 O ATOM 2365 CB SER A 157 12.382 27.255 3.876 1.00 1.31 C ATOM 2366 OG SER A 157 11.296 26.362 4.033 1.00 12.43 O ATOM 0 H SER A 157 10.799 28.811 2.794 1.00 45.42 H new ATOM 0 HA SER A 157 11.675 28.518 5.475 1.00 1.41 H new ATOM 0 HB2 SER A 157 12.624 27.355 2.818 1.00 1.31 H new ATOM 0 HB3 SER A 157 13.265 26.847 4.367 1.00 1.31 H new ATOM 0 HG SER A 157 10.601 26.573 3.375 1.00 12.43 H new ATOM 2372 N VAL A 158 13.818 29.899 3.365 1.00 63.31 N ATOM 2373 CA VAL A 158 15.041 30.696 3.293 1.00 40.11 C ATOM 2374 C VAL A 158 14.791 32.157 3.687 1.00 3.02 C ATOM 2375 O VAL A 158 15.732 32.936 3.845 1.00 52.11 O ATOM 2376 CB VAL A 158 15.659 30.644 1.876 1.00 34.21 C ATOM 2377 CG1 VAL A 158 17.145 30.971 1.922 1.00 14.34 C ATOM 2378 CG2 VAL A 158 15.432 29.281 1.235 1.00 34.44 C ATOM 0 H VAL A 158 13.385 29.709 2.461 1.00 63.31 H new ATOM 0 HA VAL A 158 15.742 30.260 4.005 1.00 40.11 H new ATOM 0 HB VAL A 158 15.161 31.396 1.264 1.00 34.21 H new ATOM 0 HG11 VAL A 158 17.558 30.928 0.914 1.00 14.34 H new ATOM 0 HG12 VAL A 158 17.285 31.972 2.329 1.00 14.34 H new ATOM 0 HG13 VAL A 158 17.657 30.247 2.555 1.00 14.34 H new ATOM 0 HG21 VAL A 158 15.875 29.269 0.239 1.00 34.44 H new ATOM 0 HG22 VAL A 158 15.896 28.509 1.848 1.00 34.44 H new ATOM 0 HG23 VAL A 158 14.362 29.089 1.158 1.00 34.44 H new ATOM 2388 N ASP A 159 13.523 32.519 3.861 1.00 12.13 N ATOM 2389 CA ASP A 159 13.160 33.884 4.232 1.00 21.34 C ATOM 2390 C ASP A 159 13.287 34.107 5.740 1.00 45.21 C ATOM 2391 O ASP A 159 13.737 35.166 6.180 1.00 12.42 O ATOM 2392 CB ASP A 159 11.731 34.189 3.780 1.00 61.11 C ATOM 2393 CG ASP A 159 11.384 35.662 3.886 1.00 53.33 C ATOM 2394 OD1 ASP A 159 10.733 36.049 4.879 1.00 4.41 O ATOM 2395 OD2 ASP A 159 11.763 36.428 2.975 1.00 41.43 O1- ATOM 0 H ASP A 159 12.730 31.887 3.751 1.00 12.13 H new ATOM 0 HA ASP A 159 13.852 34.561 3.731 1.00 21.34 H new ATOM 0 HB2 ASP A 159 11.604 33.864 2.747 1.00 61.11 H new ATOM 0 HB3 ASP A 159 11.032 33.611 4.385 1.00 61.11 H new ATOM 2400 N LYS A 160 12.894 33.108 6.527 1.00 11.13 N ATOM 2401 CA LYS A 160 12.960 33.215 7.984 1.00 64.02 C ATOM 2402 C LYS A 160 14.208 32.529 8.543 1.00 30.45 C ATOM 2403 O LYS A 160 14.283 32.253 9.743 1.00 60.11 O ATOM 2404 CB LYS A 160 11.703 32.616 8.621 1.00 1.33 C ATOM 2405 CG LYS A 160 10.402 33.197 8.085 1.00 4.22 C ATOM 2406 CD LYS A 160 10.314 34.697 8.319 1.00 42.21 C ATOM 2407 CE LYS A 160 9.015 35.269 7.777 1.00 13.43 C ATOM 2408 NZ LYS A 160 8.998 36.757 7.830 1.00 74.41 N1+ ATOM 0 H LYS A 160 12.528 32.220 6.184 1.00 11.13 H new ATOM 0 HA LYS A 160 13.018 34.274 8.233 1.00 64.02 H new ATOM 0 HB2 LYS A 160 11.703 31.538 8.457 1.00 1.33 H new ATOM 0 HB3 LYS A 160 11.743 32.774 9.699 1.00 1.33 H new ATOM 0 HG2 LYS A 160 10.324 32.991 7.018 1.00 4.22 H new ATOM 0 HG3 LYS A 160 9.558 32.704 8.567 1.00 4.22 H new ATOM 0 HD2 LYS A 160 10.387 34.905 9.387 1.00 42.21 H new ATOM 0 HD3 LYS A 160 11.159 35.191 7.839 1.00 42.21 H new ATOM 0 HE2 LYS A 160 8.876 34.941 6.747 1.00 13.43 H new ATOM 0 HE3 LYS A 160 8.177 34.876 8.353 1.00 13.43 H new ATOM 0 HZ1 LYS A 160 8.018 37.096 7.748 1.00 74.41 H new ATOM 0 HZ2 LYS A 160 9.401 37.077 8.734 1.00 74.41 H new ATOM 0 HZ3 LYS A 160 9.563 37.139 7.045 1.00 74.41 H new ATOM 2422 N GLU A 161 15.176 32.257 7.660 1.00 71.31 N ATOM 2423 CA GLU A 161 16.443 31.616 8.035 1.00 20.23 C ATOM 2424 C GLU A 161 16.232 30.192 8.567 1.00 72.33 C ATOM 2425 O GLU A 161 17.049 29.674 9.330 1.00 44.00 O ATOM 2426 CB GLU A 161 17.189 32.470 9.068 1.00 1.23 C ATOM 2427 CG GLU A 161 18.698 32.281 9.046 1.00 54.31 C ATOM 2428 CD GLU A 161 19.402 33.095 10.113 1.00 52.11 C ATOM 2429 OE1 GLU A 161 19.567 32.581 11.239 1.00 22.53 O ATOM 2430 OE2 GLU A 161 19.788 34.246 9.823 1.00 51.41 O1- ATOM 0 H GLU A 161 15.104 32.475 6.666 1.00 71.31 H new ATOM 0 HA GLU A 161 17.049 31.539 7.133 1.00 20.23 H new ATOM 0 HB2 GLU A 161 16.961 33.521 8.889 1.00 1.23 H new ATOM 0 HB3 GLU A 161 16.816 32.228 10.063 1.00 1.23 H new ATOM 0 HG2 GLU A 161 18.930 31.225 9.187 1.00 54.31 H new ATOM 0 HG3 GLU A 161 19.082 32.564 8.066 1.00 54.31 H new ATOM 2437 N MET A 162 15.139 29.560 8.153 1.00 44.15 N ATOM 2438 CA MET A 162 14.836 28.197 8.575 1.00 73.01 C ATOM 2439 C MET A 162 14.955 27.236 7.391 1.00 60.45 C ATOM 2440 O MET A 162 13.959 26.844 6.780 1.00 1.01 O ATOM 2441 CB MET A 162 13.438 28.122 9.206 1.00 1.23 C ATOM 2442 CG MET A 162 12.350 28.790 8.379 1.00 15.50 C ATOM 2443 SD MET A 162 10.762 28.842 9.227 1.00 71.12 S ATOM 2444 CE MET A 162 9.712 29.489 7.928 1.00 73.54 C ATOM 0 H MET A 162 14.448 29.970 7.525 1.00 44.15 H new ATOM 0 HA MET A 162 15.561 27.898 9.332 1.00 73.01 H new ATOM 0 HB2 MET A 162 13.174 27.075 9.357 1.00 1.23 H new ATOM 0 HB3 MET A 162 13.469 28.588 10.191 1.00 1.23 H new ATOM 0 HG2 MET A 162 12.659 29.806 8.133 1.00 15.50 H new ATOM 0 HG3 MET A 162 12.236 28.255 7.436 1.00 15.50 H new ATOM 0 HE1 MET A 162 8.721 29.697 8.331 1.00 73.54 H new ATOM 0 HE2 MET A 162 10.145 30.409 7.535 1.00 73.54 H new ATOM 0 HE3 MET A 162 9.631 28.755 7.126 1.00 73.54 H new ATOM 2454 N GLN A 163 16.191 26.861 7.073 1.00 24.22 N ATOM 2455 CA GLN A 163 16.463 25.961 5.956 1.00 61.45 C ATOM 2456 C GLN A 163 16.195 24.502 6.328 1.00 64.20 C ATOM 2457 O GLN A 163 16.418 23.596 5.524 1.00 74.23 O ATOM 2458 CB GLN A 163 17.911 26.125 5.482 1.00 74.13 C ATOM 2459 CG GLN A 163 18.186 27.456 4.794 1.00 15.51 C ATOM 2460 CD GLN A 163 18.399 28.599 5.770 1.00 30.44 C ATOM 2461 OE1 GLN A 163 17.998 29.799 5.369 1.00 62.41 O flip ATOM 2462 NE2 GLN A 163 18.913 28.405 6.872 1.00 71.13 N flip ATOM 0 H GLN A 163 17.024 27.168 7.576 1.00 24.22 H new ATOM 0 HA GLN A 163 15.786 26.229 5.145 1.00 61.45 H new ATOM 0 HB2 GLN A 163 18.577 26.025 6.339 1.00 74.13 H new ATOM 0 HB3 GLN A 163 18.152 25.315 4.794 1.00 74.13 H new ATOM 0 HG2 GLN A 163 19.069 27.356 4.163 1.00 15.51 H new ATOM 0 HG3 GLN A 163 17.350 27.698 4.137 1.00 15.51 H new ATOM 0 HE21 GLN A 163 19.207 27.466 7.139 1.00 71.13 H new ATOM 0 HE22 GLN A 163 19.045 29.184 7.517 1.00 71.13 H new ATOM 2471 N VAL A 164 15.716 24.283 7.549 1.00 72.04 N ATOM 2472 CA VAL A 164 15.405 22.941 8.020 1.00 23.43 C ATOM 2473 C VAL A 164 13.965 22.566 7.657 1.00 40.03 C ATOM 2474 O VAL A 164 13.594 21.392 7.667 1.00 42.33 O ATOM 2475 CB VAL A 164 15.620 22.823 9.549 1.00 13.21 C ATOM 2476 CG1 VAL A 164 14.555 23.593 10.320 1.00 10.33 C ATOM 2477 CG2 VAL A 164 15.655 21.364 9.981 1.00 5.43 C ATOM 0 H VAL A 164 15.535 25.021 8.230 1.00 72.04 H new ATOM 0 HA VAL A 164 16.085 22.246 7.526 1.00 23.43 H new ATOM 0 HB VAL A 164 16.586 23.270 9.783 1.00 13.21 H new ATOM 0 HG11 VAL A 164 14.735 23.490 11.390 1.00 10.33 H new ATOM 0 HG12 VAL A 164 14.597 24.647 10.045 1.00 10.33 H new ATOM 0 HG13 VAL A 164 13.570 23.194 10.077 1.00 10.33 H new ATOM 0 HG21 VAL A 164 15.807 21.307 11.059 1.00 5.43 H new ATOM 0 HG22 VAL A 164 14.711 20.885 9.722 1.00 5.43 H new ATOM 0 HG23 VAL A 164 16.472 20.853 9.472 1.00 5.43 H new ATOM 2487 N LEU A 165 13.165 23.578 7.314 1.00 11.00 N ATOM 2488 CA LEU A 165 11.769 23.369 6.942 1.00 54.21 C ATOM 2489 C LEU A 165 11.652 22.878 5.501 1.00 41.30 C ATOM 2490 O LEU A 165 10.774 22.078 5.181 1.00 30.23 O ATOM 2491 CB LEU A 165 10.974 24.667 7.109 1.00 22.24 C ATOM 2492 CG LEU A 165 9.512 24.594 6.660 1.00 24.21 C ATOM 2493 CD1 LEU A 165 8.669 23.854 7.688 1.00 43.24 C ATOM 2494 CD2 LEU A 165 8.959 25.989 6.413 1.00 5.12 C ATOM 0 H LEU A 165 13.464 24.553 7.287 1.00 11.00 H new ATOM 0 HA LEU A 165 11.358 22.606 7.603 1.00 54.21 H new ATOM 0 HB2 LEU A 165 11.002 24.960 8.159 1.00 22.24 H new ATOM 0 HB3 LEU A 165 11.472 25.456 6.545 1.00 22.24 H new ATOM 0 HG LEU A 165 9.469 24.038 5.723 1.00 24.21 H new ATOM 0 HD11 LEU A 165 7.634 23.814 7.349 1.00 43.24 H new ATOM 0 HD12 LEU A 165 9.051 22.840 7.810 1.00 43.24 H new ATOM 0 HD13 LEU A 165 8.718 24.377 8.643 1.00 43.24 H new ATOM 0 HD21 LEU A 165 7.919 25.917 6.095 1.00 5.12 H new ATOM 0 HD22 LEU A 165 9.018 26.572 7.332 1.00 5.12 H new ATOM 0 HD23 LEU A 165 9.544 26.480 5.635 1.00 5.12 H new ATOM 2506 N VAL A 166 12.544 23.361 4.637 1.00 1.44 N ATOM 2507 CA VAL A 166 12.536 22.977 3.228 1.00 34.13 C ATOM 2508 C VAL A 166 13.122 21.573 3.028 1.00 22.41 C ATOM 2509 O VAL A 166 13.019 20.991 1.947 1.00 71.24 O ATOM 2510 CB VAL A 166 13.307 24.006 2.366 1.00 61.42 C ATOM 2511 CG1 VAL A 166 14.813 23.848 2.526 1.00 52.35 C ATOM 2512 CG2 VAL A 166 12.903 23.901 0.902 1.00 62.24 C ATOM 0 H VAL A 166 13.281 24.019 4.889 1.00 1.44 H new ATOM 0 HA VAL A 166 11.496 22.962 2.902 1.00 34.13 H new ATOM 0 HB VAL A 166 13.039 25.001 2.722 1.00 61.42 H new ATOM 0 HG11 VAL A 166 15.324 24.586 1.907 1.00 52.35 H new ATOM 0 HG12 VAL A 166 15.086 23.999 3.570 1.00 52.35 H new ATOM 0 HG13 VAL A 166 15.109 22.846 2.215 1.00 52.35 H new ATOM 0 HG21 VAL A 166 13.459 24.634 0.318 1.00 62.24 H new ATOM 0 HG22 VAL A 166 13.126 22.900 0.534 1.00 62.24 H new ATOM 0 HG23 VAL A 166 11.835 24.094 0.805 1.00 62.24 H new ATOM 2522 N SER A 167 13.723 21.031 4.084 1.00 65.41 N ATOM 2523 CA SER A 167 14.316 19.701 4.026 1.00 54.41 C ATOM 2524 C SER A 167 13.353 18.649 4.572 1.00 30.23 C ATOM 2525 O SER A 167 13.332 17.511 4.100 1.00 51.44 O ATOM 2526 CB SER A 167 15.623 19.671 4.818 1.00 60.24 C ATOM 2527 OG SER A 167 16.232 18.394 4.748 1.00 60.50 O ATOM 0 H SER A 167 13.811 21.493 4.989 1.00 65.41 H new ATOM 0 HA SER A 167 14.524 19.468 2.982 1.00 54.41 H new ATOM 0 HB2 SER A 167 16.306 20.425 4.427 1.00 60.24 H new ATOM 0 HB3 SER A 167 15.427 19.927 5.859 1.00 60.24 H new ATOM 0 HG SER A 167 17.174 18.466 5.007 1.00 60.50 H new ATOM 2533 N ARG A 168 12.552 19.036 5.564 1.00 53.43 N ATOM 2534 CA ARG A 168 11.592 18.120 6.174 1.00 2.12 C ATOM 2535 C ARG A 168 10.269 18.101 5.408 1.00 54.24 C ATOM 2536 O ARG A 168 9.468 17.181 5.570 1.00 40.52 O ATOM 2537 CB ARG A 168 11.346 18.492 7.640 1.00 74.33 C ATOM 2538 CG ARG A 168 10.746 19.876 7.834 1.00 13.34 C ATOM 2539 CD ARG A 168 10.495 20.176 9.305 1.00 12.20 C ATOM 2540 NE ARG A 168 11.739 20.288 10.065 1.00 40.14 N ATOM 2541 CZ ARG A 168 11.820 20.117 11.383 1.00 63.01 C ATOM 2542 NH1 ARG A 168 10.735 19.826 12.089 1.00 32.13 N1+ ATOM 2543 NH2 ARG A 168 12.988 20.243 11.998 1.00 4.11 N ATOM 0 H ARG A 168 12.549 19.976 5.961 1.00 53.43 H new ATOM 0 HA ARG A 168 12.022 17.119 6.130 1.00 2.12 H new ATOM 0 HB2 ARG A 168 10.680 17.753 8.085 1.00 74.33 H new ATOM 0 HB3 ARG A 168 12.290 18.437 8.182 1.00 74.33 H new ATOM 0 HG2 ARG A 168 11.419 20.626 7.419 1.00 13.34 H new ATOM 0 HG3 ARG A 168 9.809 19.948 7.282 1.00 13.34 H new ATOM 0 HD2 ARG A 168 9.932 21.105 9.394 1.00 12.20 H new ATOM 0 HD3 ARG A 168 9.878 19.387 9.735 1.00 12.20 H new ATOM 0 HE ARG A 168 12.595 20.510 9.556 1.00 40.14 H new ATOM 0 HH11 ARG A 168 9.833 19.732 11.622 1.00 32.13 H new ATOM 0 HH12 ARG A 168 10.803 19.696 13.098 1.00 32.13 H new ATOM 0 HH21 ARG A 168 13.825 20.471 11.461 1.00 4.11 H new ATOM 0 HH22 ARG A 168 13.049 20.112 13.008 1.00 4.11 H new ATOM 2557 N ILE A 169 10.045 19.115 4.571 1.00 23.34 N ATOM 2558 CA ILE A 169 8.818 19.199 3.782 1.00 34.51 C ATOM 2559 C ILE A 169 8.849 18.200 2.624 1.00 22.24 C ATOM 2560 O ILE A 169 7.808 17.789 2.115 1.00 44.21 O ATOM 2561 CB ILE A 169 8.582 20.632 3.243 1.00 35.12 C ATOM 2562 CG1 ILE A 169 7.151 20.775 2.713 1.00 13.21 C ATOM 2563 CG2 ILE A 169 9.592 20.981 2.156 1.00 24.50 C ATOM 2564 CD1 ILE A 169 6.767 22.200 2.373 1.00 21.34 C ATOM 0 H ILE A 169 10.696 19.887 4.423 1.00 23.34 H new ATOM 0 HA ILE A 169 7.989 18.948 4.444 1.00 34.51 H new ATOM 0 HB ILE A 169 8.720 21.331 4.068 1.00 35.12 H new ATOM 0 HG12 ILE A 169 7.039 20.156 1.823 1.00 13.21 H new ATOM 0 HG13 ILE A 169 6.456 20.389 3.459 1.00 13.21 H new ATOM 0 HG21 ILE A 169 9.404 21.992 1.795 1.00 24.50 H new ATOM 0 HG22 ILE A 169 10.601 20.924 2.565 1.00 24.50 H new ATOM 0 HG23 ILE A 169 9.495 20.277 1.330 1.00 24.50 H new ATOM 0 HD11 ILE A 169 5.741 22.222 2.005 1.00 21.34 H new ATOM 0 HD12 ILE A 169 6.846 22.821 3.265 1.00 21.34 H new ATOM 0 HD13 ILE A 169 7.437 22.584 1.604 1.00 21.34 H new ATOM 2576 N ALA A 170 10.055 17.801 2.228 1.00 32.15 N ATOM 2577 CA ALA A 170 10.229 16.846 1.143 1.00 73.20 C ATOM 2578 C ALA A 170 10.422 15.433 1.691 1.00 4.01 C ATOM 2579 O ALA A 170 10.857 14.531 0.973 1.00 62.31 O ATOM 2580 CB ALA A 170 11.414 17.247 0.277 1.00 14.01 C ATOM 0 H ALA A 170 10.927 18.127 2.645 1.00 32.15 H new ATOM 0 HA ALA A 170 9.328 16.852 0.530 1.00 73.20 H new ATOM 0 HB1 ALA A 170 11.535 16.526 -0.531 1.00 14.01 H new ATOM 0 HB2 ALA A 170 11.239 18.237 -0.144 1.00 14.01 H new ATOM 0 HB3 ALA A 170 12.319 17.266 0.885 1.00 14.01 H new ATOM 2586 N ALA A 171 10.086 15.247 2.966 1.00 0.42 N ATOM 2587 CA ALA A 171 10.230 13.951 3.616 1.00 51.34 C ATOM 2588 C ALA A 171 8.893 13.414 4.120 1.00 22.10 C ATOM 2589 O ALA A 171 8.654 12.207 4.088 1.00 62.35 O ATOM 2590 CB ALA A 171 11.222 14.053 4.765 1.00 4.32 C ATOM 0 H ALA A 171 9.712 15.980 3.568 1.00 0.42 H new ATOM 0 HA ALA A 171 10.605 13.248 2.873 1.00 51.34 H new ATOM 0 HB1 ALA A 171 11.324 13.080 5.245 1.00 4.32 H new ATOM 0 HB2 ALA A 171 12.191 14.371 4.382 1.00 4.32 H new ATOM 0 HB3 ALA A 171 10.863 14.781 5.492 1.00 4.32 H new ATOM 2596 N TRP A 172 8.019 14.310 4.583 1.00 33.33 N ATOM 2597 CA TRP A 172 6.716 13.895 5.099 1.00 74.00 C ATOM 2598 C TRP A 172 5.658 13.818 3.997 1.00 12.01 C ATOM 2599 O TRP A 172 4.542 13.352 4.233 1.00 42.00 O ATOM 2600 CB TRP A 172 6.248 14.822 6.235 1.00 34.11 C ATOM 2601 CG TRP A 172 6.118 16.279 5.871 1.00 62.31 C ATOM 2602 CD1 TRP A 172 5.643 16.809 4.704 1.00 71.03 C ATOM 2603 CD2 TRP A 172 6.448 17.395 6.707 1.00 55.35 C ATOM 2604 NE1 TRP A 172 5.671 18.181 4.760 1.00 0.01 N ATOM 2605 CE2 TRP A 172 6.159 18.565 5.980 1.00 53.41 C ATOM 2606 CE3 TRP A 172 6.964 17.517 8.000 1.00 72.15 C ATOM 2607 CZ2 TRP A 172 6.368 19.839 6.503 1.00 74.34 C ATOM 2608 CZ3 TRP A 172 7.170 18.780 8.518 1.00 52.31 C ATOM 2609 CH2 TRP A 172 6.872 19.927 7.771 1.00 5.14 C ATOM 0 H TRP A 172 8.188 15.316 4.611 1.00 33.33 H new ATOM 0 HA TRP A 172 6.841 12.890 5.502 1.00 74.00 H new ATOM 0 HB2 TRP A 172 5.282 14.468 6.595 1.00 34.11 H new ATOM 0 HB3 TRP A 172 6.949 14.734 7.065 1.00 34.11 H new ATOM 0 HD1 TRP A 172 5.296 16.232 3.860 1.00 71.03 H new ATOM 0 HE1 TRP A 172 5.376 18.811 4.014 1.00 0.01 H new ATOM 0 HE3 TRP A 172 7.197 16.639 8.584 1.00 72.15 H new ATOM 0 HZ2 TRP A 172 6.140 20.725 5.928 1.00 74.34 H new ATOM 0 HZ3 TRP A 172 7.568 18.886 9.516 1.00 52.31 H new ATOM 0 HH2 TRP A 172 7.044 20.901 8.206 1.00 5.14 H new ATOM 2620 N MET A 173 6.010 14.277 2.796 1.00 11.14 N ATOM 2621 CA MET A 173 5.085 14.245 1.667 1.00 24.41 C ATOM 2622 C MET A 173 5.022 12.848 1.061 1.00 12.32 C ATOM 2623 O MET A 173 4.042 12.489 0.411 1.00 15.53 O ATOM 2624 CB MET A 173 5.496 15.264 0.603 1.00 55.20 C ATOM 2625 CG MET A 173 5.046 16.682 0.914 1.00 44.41 C ATOM 2626 SD MET A 173 5.548 17.867 -0.349 1.00 75.35 S ATOM 2627 CE MET A 173 4.583 17.311 -1.752 1.00 63.34 C ATOM 0 H MET A 173 6.925 14.673 2.582 1.00 11.14 H new ATOM 0 HA MET A 173 4.093 14.508 2.035 1.00 24.41 H new ATOM 0 HB2 MET A 173 6.581 15.250 0.499 1.00 55.20 H new ATOM 0 HB3 MET A 173 5.079 14.962 -0.358 1.00 55.20 H new ATOM 0 HG2 MET A 173 3.961 16.701 1.012 1.00 44.41 H new ATOM 0 HG3 MET A 173 5.458 16.987 1.876 1.00 44.41 H new ATOM 0 HE1 MET A 173 4.635 18.055 -2.547 1.00 63.34 H new ATOM 0 HE2 MET A 173 4.981 16.364 -2.115 1.00 63.34 H new ATOM 0 HE3 MET A 173 3.545 17.176 -1.449 1.00 63.34 H new ATOM 2637 N ALA A 174 6.076 12.066 1.281 1.00 44.34 N ATOM 2638 CA ALA A 174 6.140 10.701 0.775 1.00 53.00 C ATOM 2639 C ALA A 174 5.547 9.727 1.788 1.00 24.42 C ATOM 2640 O ALA A 174 5.114 8.631 1.432 1.00 44.33 O ATOM 2641 CB ALA A 174 7.577 10.322 0.454 1.00 53.31 C ATOM 0 H ALA A 174 6.899 12.357 1.808 1.00 44.34 H new ATOM 0 HA ALA A 174 5.553 10.645 -0.142 1.00 53.00 H new ATOM 0 HB1 ALA A 174 7.608 9.300 0.077 1.00 53.31 H new ATOM 0 HB2 ALA A 174 7.972 11.000 -0.303 1.00 53.31 H new ATOM 0 HB3 ALA A 174 8.183 10.394 1.357 1.00 53.31 H new ATOM 2647 N THR A 175 5.534 10.143 3.054 1.00 55.35 N ATOM 2648 CA THR A 175 4.988 9.328 4.133 1.00 0.41 C ATOM 2649 C THR A 175 3.462 9.378 4.124 1.00 52.20 C ATOM 2650 O THR A 175 2.794 8.370 4.359 1.00 40.55 O ATOM 2651 CB THR A 175 5.505 9.803 5.507 1.00 63.53 C ATOM 2652 OG1 THR A 175 6.928 9.965 5.464 1.00 0.43 O ATOM 2653 CG2 THR A 175 5.141 8.813 6.605 1.00 41.12 C ATOM 0 H THR A 175 5.899 11.046 3.356 1.00 55.35 H new ATOM 0 HA THR A 175 5.319 8.303 3.968 1.00 0.41 H new ATOM 0 HB THR A 175 5.031 10.758 5.732 1.00 63.53 H new ATOM 0 HG1 THR A 175 7.150 10.778 4.964 1.00 0.43 H new ATOM 0 HG21 THR A 175 5.519 9.175 7.561 1.00 41.12 H new ATOM 0 HG22 THR A 175 4.057 8.711 6.658 1.00 41.12 H new ATOM 0 HG23 THR A 175 5.586 7.843 6.383 1.00 41.12 H new ATOM 2661 N TYR A 176 2.921 10.562 3.840 1.00 35.14 N ATOM 2662 CA TYR A 176 1.477 10.755 3.787 1.00 72.13 C ATOM 2663 C TYR A 176 0.919 10.249 2.457 1.00 73.55 C ATOM 2664 O TYR A 176 -0.270 9.943 2.343 1.00 41.31 O ATOM 2665 CB TYR A 176 1.136 12.235 3.979 1.00 14.44 C ATOM 2666 CG TYR A 176 -0.308 12.486 4.357 1.00 65.24 C ATOM 2667 CD1 TYR A 176 -0.859 11.906 5.493 1.00 23.40 C ATOM 2668 CD2 TYR A 176 -1.119 13.303 3.579 1.00 52.23 C ATOM 2669 CE1 TYR A 176 -2.176 12.132 5.843 1.00 75.44 C ATOM 2670 CE2 TYR A 176 -2.437 13.534 3.923 1.00 31.02 C ATOM 2671 CZ TYR A 176 -2.960 12.947 5.056 1.00 13.10 C ATOM 2672 OH TYR A 176 -4.272 13.176 5.401 1.00 40.41 O ATOM 0 H TYR A 176 3.465 11.402 3.643 1.00 35.14 H new ATOM 0 HA TYR A 176 1.019 10.182 4.593 1.00 72.13 H new ATOM 0 HB2 TYR A 176 1.782 12.649 4.753 1.00 14.44 H new ATOM 0 HB3 TYR A 176 1.359 12.772 3.057 1.00 14.44 H new ATOM 0 HD1 TYR A 176 -0.247 11.268 6.113 1.00 23.40 H new ATOM 0 HD2 TYR A 176 -0.713 13.765 2.691 1.00 52.23 H new ATOM 0 HE1 TYR A 176 -2.589 11.672 6.729 1.00 75.44 H new ATOM 0 HE2 TYR A 176 -3.055 14.171 3.308 1.00 31.02 H new ATOM 0 HH TYR A 176 -4.325 13.962 5.984 1.00 40.41 H new ATOM 2682 N LEU A 177 1.793 10.161 1.455 1.00 5.13 N ATOM 2683 CA LEU A 177 1.407 9.682 0.132 1.00 35.34 C ATOM 2684 C LEU A 177 1.352 8.157 0.113 1.00 63.42 C ATOM 2685 O LEU A 177 0.637 7.562 -0.687 1.00 33.43 O ATOM 2686 CB LEU A 177 2.401 10.180 -0.921 1.00 70.13 C ATOM 2687 CG LEU A 177 1.939 10.052 -2.375 1.00 13.23 C ATOM 2688 CD1 LEU A 177 0.850 11.068 -2.683 1.00 2.41 C ATOM 2689 CD2 LEU A 177 3.115 10.229 -3.321 1.00 41.03 C ATOM 0 H LEU A 177 2.777 10.417 1.537 1.00 5.13 H new ATOM 0 HA LEU A 177 0.416 10.072 -0.101 1.00 35.34 H new ATOM 0 HB2 LEU A 177 2.623 11.228 -0.719 1.00 70.13 H new ATOM 0 HB3 LEU A 177 3.334 9.629 -0.804 1.00 70.13 H new ATOM 0 HG LEU A 177 1.525 9.054 -2.518 1.00 13.23 H new ATOM 0 HD11 LEU A 177 0.535 10.961 -3.721 1.00 2.41 H new ATOM 0 HD12 LEU A 177 -0.003 10.898 -2.026 1.00 2.41 H new ATOM 0 HD13 LEU A 177 1.236 12.075 -2.523 1.00 2.41 H new ATOM 0 HD21 LEU A 177 2.771 10.135 -4.351 1.00 41.03 H new ATOM 0 HD22 LEU A 177 3.555 11.215 -3.174 1.00 41.03 H new ATOM 0 HD23 LEU A 177 3.864 9.464 -3.118 1.00 41.03 H new ATOM 2701 N ASN A 178 2.113 7.531 1.008 1.00 13.43 N ATOM 2702 CA ASN A 178 2.153 6.075 1.103 1.00 60.41 C ATOM 2703 C ASN A 178 1.220 5.586 2.215 1.00 24.14 C ATOM 2704 O ASN A 178 1.286 4.432 2.639 1.00 73.02 O ATOM 2705 CB ASN A 178 3.592 5.611 1.362 1.00 2.51 C ATOM 2706 CG ASN A 178 3.851 4.189 0.896 1.00 24.32 C ATOM 2707 OD1 ASN A 178 4.109 3.946 -0.282 1.00 42.42 O ATOM 2708 ND2 ASN A 178 3.801 3.241 1.825 1.00 0.14 N ATOM 0 H ASN A 178 2.712 8.012 1.679 1.00 13.43 H new ATOM 0 HA ASN A 178 1.810 5.648 0.160 1.00 60.41 H new ATOM 0 HB2 ASN A 178 4.282 6.285 0.854 1.00 2.51 H new ATOM 0 HB3 ASN A 178 3.804 5.682 2.429 1.00 2.51 H new ATOM 0 HD21 ASN A 178 3.980 2.269 1.572 1.00 0.14 H new ATOM 0 HD22 ASN A 178 3.583 3.485 2.791 1.00 0.14 H new ATOM 2715 N ASP A 179 0.339 6.473 2.673 1.00 25.03 N ATOM 2716 CA ASP A 179 -0.600 6.139 3.737 1.00 73.14 C ATOM 2717 C ASP A 179 -1.952 5.709 3.170 1.00 61.13 C ATOM 2718 O ASP A 179 -2.392 4.579 3.387 1.00 73.23 O ATOM 2719 CB ASP A 179 -0.777 7.337 4.676 1.00 71.40 C ATOM 2720 CG ASP A 179 -1.614 7.003 5.896 1.00 53.21 C ATOM 2721 OD1 ASP A 179 -2.818 7.337 5.901 1.00 52.15 O ATOM 2722 OD2 ASP A 179 -1.065 6.407 6.846 1.00 32.10 O1- ATOM 0 H ASP A 179 0.257 7.428 2.323 1.00 25.03 H new ATOM 0 HA ASP A 179 -0.190 5.300 4.299 1.00 73.14 H new ATOM 0 HB2 ASP A 179 0.203 7.690 4.998 1.00 71.40 H new ATOM 0 HB3 ASP A 179 -1.247 8.155 4.130 1.00 71.40 H new ATOM 2727 N HIS A 180 -2.607 6.610 2.440 1.00 63.24 N ATOM 2728 CA HIS A 180 -3.915 6.316 1.857 1.00 62.21 C ATOM 2729 C HIS A 180 -3.955 6.649 0.366 1.00 61.34 C ATOM 2730 O HIS A 180 -4.774 6.106 -0.376 1.00 34.15 O ATOM 2731 CB HIS A 180 -5.016 7.087 2.601 1.00 1.12 C ATOM 2732 CG HIS A 180 -4.838 8.579 2.591 1.00 33.40 C ATOM 2733 ND1 HIS A 180 -5.441 9.403 1.665 1.00 4.30 N ATOM 2734 CD2 HIS A 180 -4.118 9.391 3.401 1.00 52.43 C ATOM 2735 CE1 HIS A 180 -5.099 10.657 1.905 1.00 11.21 C ATOM 2736 NE2 HIS A 180 -4.298 10.676 2.953 1.00 50.12 N ATOM 0 H HIS A 180 -2.255 7.546 2.239 1.00 63.24 H new ATOM 0 HA HIS A 180 -4.092 5.246 1.965 1.00 62.21 H new ATOM 0 HB2 HIS A 180 -5.980 6.844 2.153 1.00 1.12 H new ATOM 0 HB3 HIS A 180 -5.049 6.743 3.635 1.00 1.12 H new ATOM 0 HD2 HIS A 180 -3.515 9.085 4.243 1.00 52.43 H new ATOM 0 HE1 HIS A 180 -5.421 11.519 1.340 1.00 11.21 H new ATOM 0 HE2 HIS A 180 -3.880 11.511 3.364 1.00 50.12 H new ATOM 2745 N LEU A 181 -3.069 7.542 -0.065 1.00 53.34 N ATOM 2746 CA LEU A 181 -3.007 7.949 -1.466 1.00 23.13 C ATOM 2747 C LEU A 181 -1.951 7.140 -2.219 1.00 50.43 C ATOM 2748 O LEU A 181 -1.125 7.696 -2.945 1.00 72.33 O ATOM 2749 CB LEU A 181 -2.692 9.446 -1.559 1.00 73.23 C ATOM 2750 CG LEU A 181 -3.630 10.260 -2.455 1.00 43.11 C ATOM 2751 CD1 LEU A 181 -5.049 10.247 -1.905 1.00 20.25 C ATOM 2752 CD2 LEU A 181 -3.124 11.689 -2.591 1.00 55.23 C ATOM 0 H LEU A 181 -2.383 7.998 0.536 1.00 53.34 H new ATOM 0 HA LEU A 181 -3.976 7.757 -1.927 1.00 23.13 H new ATOM 0 HB2 LEU A 181 -2.719 9.869 -0.555 1.00 73.23 H new ATOM 0 HB3 LEU A 181 -1.673 9.563 -1.927 1.00 73.23 H new ATOM 0 HG LEU A 181 -3.644 9.800 -3.443 1.00 43.11 H new ATOM 0 HD11 LEU A 181 -5.698 10.831 -2.558 1.00 20.25 H new ATOM 0 HD12 LEU A 181 -5.412 9.220 -1.858 1.00 20.25 H new ATOM 0 HD13 LEU A 181 -5.056 10.680 -0.905 1.00 20.25 H new ATOM 0 HD21 LEU A 181 -3.801 12.255 -3.231 1.00 55.23 H new ATOM 0 HD22 LEU A 181 -3.080 12.155 -1.606 1.00 55.23 H new ATOM 0 HD23 LEU A 181 -2.128 11.682 -3.033 1.00 55.23 H new ATOM 2764 N GLU A 182 -1.999 5.820 -2.055 1.00 1.44 N ATOM 2765 CA GLU A 182 -1.033 4.933 -2.699 1.00 24.31 C ATOM 2766 C GLU A 182 -1.680 3.725 -3.407 1.00 4.44 C ATOM 2767 O GLU A 182 -1.374 3.479 -4.572 1.00 11.01 O ATOM 2768 CB GLU A 182 -0.001 4.451 -1.676 1.00 71.32 C ATOM 2769 CG GLU A 182 1.352 4.120 -2.284 1.00 74.35 C ATOM 2770 CD GLU A 182 2.033 5.330 -2.893 1.00 10.35 C ATOM 2771 OE1 GLU A 182 2.833 5.978 -2.186 1.00 32.40 O ATOM 2772 OE2 GLU A 182 1.768 5.627 -4.076 1.00 75.54 O1- ATOM 0 H GLU A 182 -2.695 5.342 -1.483 1.00 1.44 H new ATOM 0 HA GLU A 182 -0.546 5.521 -3.477 1.00 24.31 H new ATOM 0 HB2 GLU A 182 0.131 5.221 -0.915 1.00 71.32 H new ATOM 0 HB3 GLU A 182 -0.389 3.566 -1.171 1.00 71.32 H new ATOM 0 HG2 GLU A 182 1.997 3.694 -1.515 1.00 74.35 H new ATOM 0 HG3 GLU A 182 1.224 3.356 -3.051 1.00 74.35 H new ATOM 2779 N PRO A 183 -2.570 2.937 -2.740 1.00 53.10 N ATOM 2780 CA PRO A 183 -3.192 1.757 -3.375 1.00 20.14 C ATOM 2781 C PRO A 183 -4.157 2.087 -4.520 1.00 34.23 C ATOM 2782 O PRO A 183 -4.647 1.181 -5.193 1.00 5.13 O ATOM 2783 CB PRO A 183 -3.945 1.082 -2.226 1.00 72.12 C ATOM 2784 CG PRO A 183 -4.183 2.153 -1.226 1.00 61.43 C ATOM 2785 CD PRO A 183 -3.022 3.098 -1.338 1.00 53.45 C ATOM 0 HA PRO A 183 -2.431 1.135 -3.846 1.00 20.14 H new ATOM 0 HB2 PRO A 183 -4.885 0.652 -2.572 1.00 72.12 H new ATOM 0 HB3 PRO A 183 -3.360 0.268 -1.798 1.00 72.12 H new ATOM 0 HG2 PRO A 183 -5.124 2.667 -1.423 1.00 61.43 H new ATOM 0 HG3 PRO A 183 -4.251 1.738 -0.220 1.00 61.43 H new ATOM 0 HD2 PRO A 183 -3.321 4.125 -1.129 1.00 53.45 H new ATOM 0 HD3 PRO A 183 -2.231 2.846 -0.631 1.00 53.45 H new ATOM 2793 N TRP A 184 -4.430 3.372 -4.744 1.00 1.53 N ATOM 2794 CA TRP A 184 -5.334 3.774 -5.820 1.00 33.41 C ATOM 2795 C TRP A 184 -4.581 3.899 -7.146 1.00 11.53 C ATOM 2796 O TRP A 184 -5.126 3.601 -8.209 1.00 40.15 O ATOM 2797 CB TRP A 184 -6.041 5.095 -5.479 1.00 72.21 C ATOM 2798 CG TRP A 184 -5.151 6.301 -5.538 1.00 2.40 C ATOM 2799 CD1 TRP A 184 -4.375 6.794 -4.532 1.00 43.23 C ATOM 2800 CD2 TRP A 184 -4.949 7.169 -6.662 1.00 32.22 C ATOM 2801 NE1 TRP A 184 -3.697 7.909 -4.962 1.00 51.34 N ATOM 2802 CE2 TRP A 184 -4.033 8.160 -6.264 1.00 11.02 C ATOM 2803 CE3 TRP A 184 -5.450 7.201 -7.967 1.00 24.34 C ATOM 2804 CZ2 TRP A 184 -3.609 9.169 -7.122 1.00 5.52 C ATOM 2805 CZ3 TRP A 184 -5.028 8.205 -8.816 1.00 1.45 C ATOM 2806 CH2 TRP A 184 -4.116 9.177 -8.391 1.00 64.43 C ATOM 0 H TRP A 184 -4.043 4.144 -4.202 1.00 1.53 H new ATOM 0 HA TRP A 184 -6.092 2.998 -5.926 1.00 33.41 H new ATOM 0 HB2 TRP A 184 -6.873 5.237 -6.168 1.00 72.21 H new ATOM 0 HB3 TRP A 184 -6.466 5.019 -4.478 1.00 72.21 H new ATOM 0 HD1 TRP A 184 -4.303 6.370 -3.541 1.00 43.23 H new ATOM 0 HE1 TRP A 184 -3.048 8.461 -4.401 1.00 51.34 H new ATOM 0 HE3 TRP A 184 -6.154 6.455 -8.305 1.00 24.34 H new ATOM 0 HZ2 TRP A 184 -2.904 9.920 -6.797 1.00 5.52 H new ATOM 0 HZ3 TRP A 184 -5.409 8.240 -9.826 1.00 1.45 H new ATOM 0 HH2 TRP A 184 -3.806 9.949 -9.080 1.00 64.43 H new ATOM 2817 N ILE A 185 -3.324 4.339 -7.073 1.00 2.34 N ATOM 2818 CA ILE A 185 -2.499 4.502 -8.264 1.00 1.34 C ATOM 2819 C ILE A 185 -1.820 3.182 -8.629 1.00 24.15 C ATOM 2820 O ILE A 185 -1.504 2.934 -9.793 1.00 41.21 O ATOM 2821 CB ILE A 185 -1.442 5.623 -8.069 1.00 10.52 C ATOM 2822 CG1 ILE A 185 -0.706 5.919 -9.380 1.00 70.51 C ATOM 2823 CG2 ILE A 185 -0.449 5.257 -6.976 1.00 44.33 C ATOM 2824 CD1 ILE A 185 -1.570 6.594 -10.423 1.00 3.13 C ATOM 0 H ILE A 185 -2.858 4.588 -6.201 1.00 2.34 H new ATOM 0 HA ILE A 185 -3.151 4.798 -9.085 1.00 1.34 H new ATOM 0 HB ILE A 185 -1.972 6.524 -7.761 1.00 10.52 H new ATOM 0 HG12 ILE A 185 0.155 6.553 -9.168 1.00 70.51 H new ATOM 0 HG13 ILE A 185 -0.321 4.985 -9.789 1.00 70.51 H new ATOM 0 HG21 ILE A 185 0.279 6.060 -6.862 1.00 44.33 H new ATOM 0 HG22 ILE A 185 -0.980 5.112 -6.035 1.00 44.33 H new ATOM 0 HG23 ILE A 185 0.067 4.336 -7.247 1.00 44.33 H new ATOM 0 HD11 ILE A 185 -0.982 6.772 -11.323 1.00 3.13 H new ATOM 0 HD12 ILE A 185 -2.417 5.952 -10.664 1.00 3.13 H new ATOM 0 HD13 ILE A 185 -1.934 7.545 -10.034 1.00 3.13 H new ATOM 2836 N GLN A 186 -1.623 2.328 -7.624 1.00 53.43 N ATOM 2837 CA GLN A 186 -0.998 1.026 -7.831 1.00 34.11 C ATOM 2838 C GLN A 186 -1.998 0.035 -8.416 1.00 73.11 C ATOM 2839 O GLN A 186 -1.615 -0.968 -9.018 1.00 14.34 O ATOM 2840 CB GLN A 186 -0.445 0.484 -6.513 1.00 1.23 C ATOM 2841 CG GLN A 186 0.709 1.299 -5.951 1.00 30.32 C ATOM 2842 CD GLN A 186 1.269 0.713 -4.667 1.00 25.25 C ATOM 2843 OE1 GLN A 186 1.751 1.440 -3.801 1.00 13.33 O ATOM 2844 NE2 GLN A 186 1.215 -0.608 -4.540 1.00 63.31 N ATOM 0 H GLN A 186 -1.889 2.517 -6.658 1.00 53.43 H new ATOM 0 HA GLN A 186 -0.177 1.154 -8.536 1.00 34.11 H new ATOM 0 HB2 GLN A 186 -1.249 0.454 -5.777 1.00 1.23 H new ATOM 0 HB3 GLN A 186 -0.113 -0.543 -6.664 1.00 1.23 H new ATOM 0 HG2 GLN A 186 1.503 1.358 -6.695 1.00 30.32 H new ATOM 0 HG3 GLN A 186 0.371 2.318 -5.763 1.00 30.32 H new ATOM 0 HE21 GLN A 186 0.807 -1.175 -5.283 1.00 63.31 H new ATOM 0 HE22 GLN A 186 1.582 -1.055 -3.700 1.00 63.31 H new ATOM 2853 N GLU A 187 -3.283 0.329 -8.230 1.00 43.33 N ATOM 2854 CA GLU A 187 -4.352 -0.521 -8.740 1.00 30.12 C ATOM 2855 C GLU A 187 -4.501 -0.346 -10.250 1.00 61.14 C ATOM 2856 O GLU A 187 -4.889 -1.275 -10.959 1.00 33.41 O ATOM 2857 CB GLU A 187 -5.670 -0.182 -8.038 1.00 71.25 C ATOM 2858 CG GLU A 187 -6.797 -1.155 -8.345 1.00 62.51 C ATOM 2859 CD GLU A 187 -8.110 -0.744 -7.709 1.00 70.11 C ATOM 2860 OE1 GLU A 187 -8.370 -1.158 -6.560 1.00 35.40 O ATOM 2861 OE2 GLU A 187 -8.880 -0.007 -8.362 1.00 42.34 O1- ATOM 0 H GLU A 187 -3.608 1.154 -7.727 1.00 43.33 H new ATOM 0 HA GLU A 187 -4.097 -1.561 -8.536 1.00 30.12 H new ATOM 0 HB2 GLU A 187 -5.503 -0.163 -6.961 1.00 71.25 H new ATOM 0 HB3 GLU A 187 -5.979 0.821 -8.331 1.00 71.25 H new ATOM 0 HG2 GLU A 187 -6.927 -1.226 -9.425 1.00 62.51 H new ATOM 0 HG3 GLU A 187 -6.521 -2.148 -7.991 1.00 62.51 H new ATOM 2868 N ASN A 188 -4.180 0.853 -10.732 1.00 64.33 N ATOM 2869 CA ASN A 188 -4.271 1.159 -12.155 1.00 0.22 C ATOM 2870 C ASN A 188 -3.085 0.565 -12.915 1.00 20.40 C ATOM 2871 O ASN A 188 -3.213 0.171 -14.075 1.00 51.34 O ATOM 2872 CB ASN A 188 -4.327 2.674 -12.365 1.00 45.15 C ATOM 2873 CG ASN A 188 -4.820 3.053 -13.748 1.00 2.31 C ATOM 2874 OD1 ASN A 188 -4.029 3.248 -14.671 1.00 43.24 O ATOM 2875 ND2 ASN A 188 -6.135 3.156 -13.899 1.00 12.32 N ATOM 0 H ASN A 188 -3.854 1.629 -10.155 1.00 64.33 H new ATOM 0 HA ASN A 188 -5.186 0.712 -12.545 1.00 0.22 H new ATOM 0 HB2 ASN A 188 -4.983 3.117 -11.615 1.00 45.15 H new ATOM 0 HB3 ASN A 188 -3.334 3.096 -12.209 1.00 45.15 H new ATOM 0 HD21 ASN A 188 -6.526 3.405 -14.807 1.00 12.32 H new ATOM 0 HD22 ASN A 188 -6.754 2.986 -13.107 1.00 12.32 H new ATOM 2882 N GLY A 189 -1.933 0.500 -12.250 1.00 64.31 N ATOM 2883 CA GLY A 189 -0.741 -0.050 -12.873 1.00 21.13 C ATOM 2884 C GLY A 189 0.533 0.586 -12.353 1.00 55.40 C ATOM 2885 O GLY A 189 1.484 0.791 -13.110 1.00 3.12 O ATOM 0 H GLY A 189 -1.805 0.819 -11.290 1.00 64.31 H new ATOM 0 HA2 GLY A 189 -0.705 -1.125 -12.695 1.00 21.13 H new ATOM 0 HA3 GLY A 189 -0.800 0.093 -13.952 1.00 21.13 H new ATOM 2889 N GLY A 190 0.553 0.895 -11.058 1.00 71.53 N ATOM 2890 CA GLY A 190 1.723 1.512 -10.455 1.00 43.35 C ATOM 2891 C GLY A 190 1.883 2.962 -10.867 1.00 55.20 C ATOM 2892 O GLY A 190 0.903 3.636 -11.181 1.00 70.51 O ATOM 0 H GLY A 190 -0.221 0.729 -10.415 1.00 71.53 H new ATOM 0 HA2 GLY A 190 1.645 1.451 -9.370 1.00 43.35 H new ATOM 0 HA3 GLY A 190 2.614 0.954 -10.742 1.00 43.35 H new ATOM 2896 N TRP A 191 3.119 3.445 -10.868 1.00 31.40 N ATOM 2897 CA TRP A 191 3.393 4.822 -11.257 1.00 3.01 C ATOM 2898 C TRP A 191 3.917 4.890 -12.688 1.00 65.13 C ATOM 2899 O TRP A 191 4.265 5.962 -13.181 1.00 43.01 O ATOM 2900 CB TRP A 191 4.389 5.466 -10.293 1.00 35.44 C ATOM 2901 CG TRP A 191 3.750 5.962 -9.033 1.00 11.12 C ATOM 2902 CD1 TRP A 191 3.566 5.262 -7.876 1.00 63.50 C ATOM 2903 CD2 TRP A 191 3.204 7.267 -8.806 1.00 32.32 C ATOM 2904 NE1 TRP A 191 2.940 6.052 -6.943 1.00 10.42 N ATOM 2905 CE2 TRP A 191 2.708 7.288 -7.489 1.00 53.30 C ATOM 2906 CE3 TRP A 191 3.088 8.419 -9.588 1.00 23.32 C ATOM 2907 CZ2 TRP A 191 2.106 8.417 -6.938 1.00 22.20 C ATOM 2908 CZ3 TRP A 191 2.491 9.539 -9.040 1.00 32.41 C ATOM 2909 CH2 TRP A 191 2.007 9.531 -7.726 1.00 4.25 C ATOM 0 H TRP A 191 3.944 2.906 -10.605 1.00 31.40 H new ATOM 0 HA TRP A 191 2.457 5.378 -11.210 1.00 3.01 H new ATOM 0 HB2 TRP A 191 5.162 4.740 -10.040 1.00 35.44 H new ATOM 0 HB3 TRP A 191 4.884 6.298 -10.794 1.00 35.44 H new ATOM 0 HD1 TRP A 191 3.868 4.237 -7.717 1.00 63.50 H new ATOM 0 HE1 TRP A 191 2.688 5.765 -5.997 1.00 10.42 H new ATOM 0 HE3 TRP A 191 3.458 8.434 -10.602 1.00 23.32 H new ATOM 0 HZ2 TRP A 191 1.731 8.413 -5.925 1.00 22.20 H new ATOM 0 HZ3 TRP A 191 2.396 10.435 -9.635 1.00 32.41 H new ATOM 0 HH2 TRP A 191 1.546 10.422 -7.327 1.00 4.25 H new ATOM 2920 N ASP A 192 3.961 3.734 -13.350 1.00 41.32 N ATOM 2921 CA ASP A 192 4.428 3.652 -14.730 1.00 2.15 C ATOM 2922 C ASP A 192 3.323 4.093 -15.687 1.00 61.14 C ATOM 2923 O ASP A 192 3.593 4.608 -16.773 1.00 53.44 O ATOM 2924 CB ASP A 192 4.872 2.223 -15.056 1.00 51.33 C ATOM 2925 CG ASP A 192 5.647 2.137 -16.357 1.00 31.41 C ATOM 2926 OD1 ASP A 192 6.863 2.421 -16.342 1.00 40.54 O ATOM 2927 OD2 ASP A 192 5.039 1.784 -17.389 1.00 63.14 O1- ATOM 0 H ASP A 192 3.677 2.840 -12.950 1.00 41.32 H new ATOM 0 HA ASP A 192 5.282 4.318 -14.850 1.00 2.15 H new ATOM 0 HB2 ASP A 192 5.491 1.844 -14.243 1.00 51.33 H new ATOM 0 HB3 ASP A 192 3.995 1.579 -15.116 1.00 51.33 H new ATOM 2932 N THR A 193 2.075 3.889 -15.266 1.00 42.11 N ATOM 2933 CA THR A 193 0.917 4.275 -16.065 1.00 71.11 C ATOM 2934 C THR A 193 0.686 5.785 -15.983 1.00 34.14 C ATOM 2935 O THR A 193 0.009 6.369 -16.830 1.00 21.35 O ATOM 2936 CB THR A 193 -0.356 3.527 -15.609 1.00 72.23 C ATOM 2937 OG1 THR A 193 -1.472 3.907 -16.424 1.00 64.13 O ATOM 2938 CG2 THR A 193 -0.670 3.813 -14.147 1.00 41.42 C ATOM 0 H THR A 193 1.842 3.457 -14.372 1.00 42.11 H new ATOM 0 HA THR A 193 1.126 4.000 -17.099 1.00 71.11 H new ATOM 0 HB THR A 193 -0.172 2.458 -15.719 1.00 72.23 H new ATOM 0 HG1 THR A 193 -2.306 3.728 -15.941 1.00 64.13 H new ATOM 0 HG21 THR A 193 -1.571 3.273 -13.856 1.00 41.42 H new ATOM 0 HG22 THR A 193 0.165 3.489 -13.525 1.00 41.42 H new ATOM 0 HG23 THR A 193 -0.829 4.883 -14.012 1.00 41.42 H new ATOM 2946 N PHE A 194 1.264 6.408 -14.955 1.00 63.35 N ATOM 2947 CA PHE A 194 1.149 7.848 -14.755 1.00 21.42 C ATOM 2948 C PHE A 194 2.089 8.583 -15.709 1.00 74.44 C ATOM 2949 O PHE A 194 1.863 9.743 -16.058 1.00 44.25 O ATOM 2950 CB PHE A 194 1.478 8.204 -13.301 1.00 54.02 C ATOM 2951 CG PHE A 194 1.036 9.583 -12.895 1.00 70.10 C ATOM 2952 CD1 PHE A 194 -0.288 9.832 -12.575 1.00 43.25 C ATOM 2953 CD2 PHE A 194 1.946 10.626 -12.829 1.00 14.52 C ATOM 2954 CE1 PHE A 194 -0.699 11.097 -12.198 1.00 65.11 C ATOM 2955 CE2 PHE A 194 1.541 11.893 -12.453 1.00 41.11 C ATOM 2956 CZ PHE A 194 0.218 12.129 -12.137 1.00 53.34 C ATOM 0 H PHE A 194 1.820 5.931 -14.245 1.00 63.35 H new ATOM 0 HA PHE A 194 0.125 8.157 -14.966 1.00 21.42 H new ATOM 0 HB2 PHE A 194 1.007 7.474 -12.643 1.00 54.02 H new ATOM 0 HB3 PHE A 194 2.554 8.120 -13.151 1.00 54.02 H new ATOM 0 HD1 PHE A 194 -1.008 9.028 -12.620 1.00 43.25 H new ATOM 0 HD2 PHE A 194 2.983 10.447 -13.074 1.00 14.52 H new ATOM 0 HE1 PHE A 194 -1.735 11.278 -11.952 1.00 65.11 H new ATOM 0 HE2 PHE A 194 2.259 12.698 -12.406 1.00 41.11 H new ATOM 0 HZ PHE A 194 -0.100 13.118 -11.843 1.00 53.34 H new ATOM 2966 N VAL A 195 3.144 7.884 -16.129 1.00 52.33 N ATOM 2967 CA VAL A 195 4.127 8.438 -17.053 1.00 53.41 C ATOM 2968 C VAL A 195 3.564 8.477 -18.472 1.00 43.43 C ATOM 2969 O VAL A 195 3.943 9.323 -19.280 1.00 30.33 O ATOM 2970 CB VAL A 195 5.429 7.606 -17.050 1.00 21.41 C ATOM 2971 CG1 VAL A 195 6.523 8.299 -17.846 1.00 2.30 C ATOM 2972 CG2 VAL A 195 5.893 7.339 -15.627 1.00 34.35 C ATOM 0 H VAL A 195 3.338 6.925 -15.839 1.00 52.33 H new ATOM 0 HA VAL A 195 4.354 9.451 -16.720 1.00 53.41 H new ATOM 0 HB VAL A 195 5.216 6.650 -17.529 1.00 21.41 H new ATOM 0 HG11 VAL A 195 7.428 7.691 -17.827 1.00 2.30 H new ATOM 0 HG12 VAL A 195 6.195 8.430 -18.877 1.00 2.30 H new ATOM 0 HG13 VAL A 195 6.732 9.274 -17.405 1.00 2.30 H new ATOM 0 HG21 VAL A 195 6.811 6.752 -15.648 1.00 34.35 H new ATOM 0 HG22 VAL A 195 6.080 8.286 -15.121 1.00 34.35 H new ATOM 0 HG23 VAL A 195 5.121 6.787 -15.090 1.00 34.35 H new ATOM 2982 N GLU A 196 2.649 7.555 -18.760 1.00 14.11 N ATOM 2983 CA GLU A 196 2.023 7.474 -20.075 1.00 4.20 C ATOM 2984 C GLU A 196 0.791 8.374 -20.148 1.00 15.34 C ATOM 2985 O GLU A 196 0.324 8.716 -21.235 1.00 61.15 O ATOM 2986 CB GLU A 196 1.630 6.026 -20.382 1.00 31.43 C ATOM 2987 CG GLU A 196 2.794 5.050 -20.297 1.00 74.41 C ATOM 2988 CD GLU A 196 2.363 3.610 -20.491 1.00 3.32 C ATOM 2989 OE1 GLU A 196 2.049 2.944 -19.481 1.00 41.21 O ATOM 2990 OE2 GLU A 196 2.338 3.148 -21.651 1.00 23.14 O1- ATOM 0 H GLU A 196 2.324 6.851 -18.097 1.00 14.11 H new ATOM 0 HA GLU A 196 2.744 7.816 -20.818 1.00 4.20 H new ATOM 0 HB2 GLU A 196 0.852 5.713 -19.685 1.00 31.43 H new ATOM 0 HB3 GLU A 196 1.199 5.979 -21.382 1.00 31.43 H new ATOM 0 HG2 GLU A 196 3.536 5.308 -21.053 1.00 74.41 H new ATOM 0 HG3 GLU A 196 3.279 5.153 -19.326 1.00 74.41 H new ATOM 2997 N LEU A 197 0.273 8.752 -18.980 1.00 55.40 N ATOM 2998 CA LEU A 197 -0.902 9.613 -18.895 1.00 12.03 C ATOM 2999 C LEU A 197 -0.558 11.048 -19.288 1.00 31.24 C ATOM 3000 O LEU A 197 -1.078 11.574 -20.274 1.00 54.02 O ATOM 3001 CB LEU A 197 -1.473 9.583 -17.475 1.00 14.21 C ATOM 3002 CG LEU A 197 -2.697 10.472 -17.244 1.00 25.45 C ATOM 3003 CD1 LEU A 197 -3.909 9.919 -17.978 1.00 53.33 C ATOM 3004 CD2 LEU A 197 -2.984 10.601 -15.757 1.00 52.21 C ATOM 0 H LEU A 197 0.653 8.473 -18.075 1.00 55.40 H new ATOM 0 HA LEU A 197 -1.651 9.237 -19.592 1.00 12.03 H new ATOM 0 HB2 LEU A 197 -1.740 8.555 -17.230 1.00 14.21 H new ATOM 0 HB3 LEU A 197 -0.689 9.884 -16.779 1.00 14.21 H new ATOM 0 HG LEU A 197 -2.483 11.464 -17.642 1.00 25.45 H new ATOM 0 HD11 LEU A 197 -4.768 10.566 -17.801 1.00 53.33 H new ATOM 0 HD12 LEU A 197 -3.700 9.879 -19.047 1.00 53.33 H new ATOM 0 HD13 LEU A 197 -4.129 8.916 -17.613 1.00 53.33 H new ATOM 0 HD21 LEU A 197 -3.857 11.236 -15.609 1.00 52.21 H new ATOM 0 HD22 LEU A 197 -3.178 9.614 -15.337 1.00 52.21 H new ATOM 0 HD23 LEU A 197 -2.123 11.045 -15.257 1.00 52.21 H new ATOM 3016 N TYR A 198 0.322 11.675 -18.510 1.00 22.15 N ATOM 3017 CA TYR A 198 0.741 13.047 -18.775 1.00 72.53 C ATOM 3018 C TYR A 198 1.822 13.089 -19.850 1.00 33.44 C ATOM 3019 O TYR A 198 1.969 14.087 -20.557 1.00 45.13 O ATOM 3020 CB TYR A 198 1.251 13.707 -17.493 1.00 14.44 C ATOM 3021 CG TYR A 198 0.179 14.451 -16.728 1.00 73.14 C ATOM 3022 CD1 TYR A 198 -0.198 15.734 -17.103 1.00 23.14 C ATOM 3023 CD2 TYR A 198 -0.456 13.873 -15.635 1.00 61.30 C ATOM 3024 CE1 TYR A 198 -1.176 16.422 -16.411 1.00 24.53 C ATOM 3025 CE2 TYR A 198 -1.436 14.555 -14.938 1.00 60.02 C ATOM 3026 CZ TYR A 198 -1.792 15.828 -15.330 1.00 12.25 C ATOM 3027 OH TYR A 198 -2.767 16.509 -14.639 1.00 15.10 O ATOM 0 H TYR A 198 0.758 11.253 -17.690 1.00 22.15 H new ATOM 0 HA TYR A 198 -0.126 13.600 -19.137 1.00 72.53 H new ATOM 0 HB2 TYR A 198 1.682 12.942 -16.847 1.00 14.44 H new ATOM 0 HB3 TYR A 198 2.053 14.400 -17.745 1.00 14.44 H new ATOM 0 HD1 TYR A 198 0.282 16.202 -17.950 1.00 23.14 H new ATOM 0 HD2 TYR A 198 -0.180 12.876 -15.325 1.00 61.30 H new ATOM 0 HE1 TYR A 198 -1.456 17.420 -16.715 1.00 24.53 H new ATOM 0 HE2 TYR A 198 -1.920 14.093 -14.091 1.00 60.02 H new ATOM 0 HH TYR A 198 -3.263 15.883 -14.071 1.00 15.10 H new ATOM 3037 N GLY A 199 2.573 11.998 -19.967 1.00 13.15 N ATOM 3038 CA GLY A 199 3.628 11.922 -20.959 1.00 63.12 C ATOM 3039 C GLY A 199 3.231 11.091 -22.161 1.00 2.40 C ATOM 3040 O GLY A 199 3.862 10.076 -22.457 1.00 44.54 O ATOM 0 H GLY A 199 2.468 11.163 -19.390 1.00 13.15 H new ATOM 0 HA2 GLY A 199 3.888 12.929 -21.286 1.00 63.12 H new ATOM 0 HA3 GLY A 199 4.521 11.494 -20.504 1.00 63.12 H new ATOM 3044 N ASN A 200 2.178 11.524 -22.851 1.00 12.22 N ATOM 3045 CA ASN A 200 1.693 10.821 -24.034 1.00 31.11 C ATOM 3046 C ASN A 200 2.565 11.139 -25.246 1.00 31.33 C ATOM 3047 O ASN A 200 2.594 10.384 -26.217 1.00 41.40 O ATOM 3048 CB ASN A 200 0.229 11.184 -24.312 1.00 4.43 C ATOM 3049 CG ASN A 200 0.007 12.678 -24.465 1.00 42.43 C ATOM 3050 OD1 ASN A 200 -0.155 13.399 -23.479 1.00 1.41 O ATOM 3051 ND2 ASN A 200 -0.015 13.149 -25.707 1.00 21.30 N ATOM 0 H ASN A 200 1.645 12.359 -22.610 1.00 12.22 H new ATOM 0 HA ASN A 200 1.752 9.749 -23.844 1.00 31.11 H new ATOM 0 HB2 ASN A 200 -0.099 10.679 -25.221 1.00 4.43 H new ATOM 0 HB3 ASN A 200 -0.393 10.811 -23.498 1.00 4.43 H new ATOM 0 HD21 ASN A 200 -0.171 14.143 -25.873 1.00 21.30 H new ATOM 0 HD22 ASN A 200 0.124 12.516 -26.495 1.00 21.30 H new ATOM 3058 N ASN A 201 3.277 12.264 -25.176 1.00 60.41 N ATOM 3059 CA ASN A 201 4.166 12.683 -26.253 1.00 21.42 C ATOM 3060 C ASN A 201 5.544 12.054 -26.078 1.00 33.55 C ATOM 3061 O ASN A 201 6.306 11.921 -27.037 1.00 43.22 O ATOM 3062 CB ASN A 201 4.291 14.209 -26.282 1.00 50.22 C ATOM 3063 CG ASN A 201 2.957 14.899 -26.486 1.00 13.05 C ATOM 3064 OD1 ASN A 201 2.293 15.287 -25.525 1.00 53.41 O ATOM 3065 ND2 ASN A 201 2.555 15.054 -27.743 1.00 4.34 N ATOM 0 H ASN A 201 3.253 12.902 -24.380 1.00 60.41 H new ATOM 0 HA ASN A 201 3.740 12.347 -27.199 1.00 21.42 H new ATOM 0 HB2 ASN A 201 4.734 14.551 -25.347 1.00 50.22 H new ATOM 0 HB3 ASN A 201 4.972 14.499 -27.082 1.00 50.22 H new ATOM 0 HD21 ASN A 201 1.664 15.510 -27.941 1.00 4.34 H new ATOM 0 HD22 ASN A 201 3.137 14.717 -28.510 1.00 4.34 H new ATOM 3072 N ALA A 202 5.853 11.668 -24.841 1.00 2.13 N ATOM 3073 CA ALA A 202 7.131 11.044 -24.520 1.00 20.24 C ATOM 3074 C ALA A 202 7.120 9.564 -24.887 1.00 63.21 C ATOM 3075 O ALA A 202 8.160 8.983 -25.197 1.00 33.22 O ATOM 3076 CB ALA A 202 7.445 11.221 -23.041 1.00 72.15 C ATOM 0 H ALA A 202 5.230 11.778 -24.041 1.00 2.13 H new ATOM 0 HA ALA A 202 7.909 11.533 -25.106 1.00 20.24 H new ATOM 0 HB1 ALA A 202 8.402 10.751 -22.813 1.00 72.15 H new ATOM 0 HB2 ALA A 202 7.498 12.284 -22.805 1.00 72.15 H new ATOM 0 HB3 ALA A 202 6.661 10.755 -22.444 1.00 72.15 H new ATOM 3082 N ALA A 203 5.933 8.962 -24.853 1.00 51.11 N ATOM 3083 CA ALA A 203 5.772 7.551 -25.184 1.00 63.14 C ATOM 3084 C ALA A 203 5.290 7.374 -26.623 1.00 5.14 C ATOM 3085 O ALA A 203 4.967 6.263 -27.048 1.00 43.34 O ATOM 3086 CB ALA A 203 4.803 6.892 -24.213 1.00 2.14 C ATOM 0 H ALA A 203 5.065 9.434 -24.598 1.00 51.11 H new ATOM 0 HA ALA A 203 6.745 7.067 -25.095 1.00 63.14 H new ATOM 0 HB1 ALA A 203 4.691 5.839 -24.470 1.00 2.14 H new ATOM 0 HB2 ALA A 203 5.190 6.979 -23.198 1.00 2.14 H new ATOM 0 HB3 ALA A 203 3.833 7.386 -24.275 1.00 2.14 H new