USER MOD reduce.3.24.130724 H: found=0, std=0, add=1113, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 936 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 85 GLN : amide:sc= -2.89 X(o=-3.5,f=-3.8!) USER MOD Set 1.2: A 145 ASN : amide:sc= -0.391 K(o=-3.5,f=-4.1) USER MOD Set 1.3: A 148 THR OG1 : rot 63:sc= -0.215 USER MOD Set 2.1: A 94 HIS : no HD1:sc= -2.62 X(o=-2.6,f=-2.8!) USER MOD Set 2.2: A 104 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 21 SER OG : rot 130:sc= -0.875 USER MOD Set 3.2: A 52 GLN : amide:sc= 0.185 K(o=-0.4,f=-1.3) USER MOD Set 3.3: A 53 SER OG : rot 64:sc= 0.295 USER MOD Set 4.1: A 42 ASN : amide:sc= -2.34 K(o=-7.3,f=-8.6) USER MOD Set 4.2: A 47 ASN : amide:sc= -4.95 X(o=-7.3,f=-7.2!) USER MOD Set 5.1: A 16 GLN : amide:sc= -4.3! C(o=-7.2!,f=-14!) USER MOD Set 5.2: A 36 HIS : no HE2:sc= -2.93 K(o=-7.2,f=-9.1) USER MOD Single : A 1 CYS N :NH3+ -123:sc= 0.102 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.118 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -0.323 X(o=-0.32,f=-0.29) USER MOD Single : A 10 ASN :FLIP amide:sc= -0.0213 F(o=-1.5,f=-0.021) USER MOD Single : A 11 THR OG1 : rot -0:sc= 0.528 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -178:sc= -0.555 (180deg=-0.602) USER MOD Single : A 18 SER OG : rot 13:sc= 0.743 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -85:sc= 1.77 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.372 K(o=-0.37,f=-2) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 111:sc= -0.205 USER MOD Single : A 54 ASN :FLIP amide:sc= -2.6 F(o=-3.2,f=-2.6) USER MOD Single : A 55 SER OG : rot 180:sc= 0.0144 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 0.351 X(o=0.35,f=-0.03) USER MOD Single : A 66 THR OG1 : rot -32:sc= 0.551 USER MOD Single : A 67 GLN : amide:sc= -0.197 K(o=-0.2,f=-1.3!) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.0083) USER MOD Single : A 71 THR OG1 : rot -100:sc= -1.48 USER MOD Single : A 75 THR OG1 : rot 10:sc= 0.0938 USER MOD Single : A 76 GLN : amide:sc= -0.69 K(o=-0.69,f=-1.9!) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 TYR OH : rot 180:sc= -0.284 USER MOD Single : A 89 SER OG : rot 180:sc= -0.0883 USER MOD Single : A 90 TYR OH : rot 165:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 153:sc= -1.67! (180deg=-2.55!) USER MOD Single : A 95 SER OG : rot 26:sc= 1.26 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0238) USER MOD Single : A 114 GLN :FLIP amide:sc= -0.0379 F(o=-2.7!,f=-0.038) USER MOD Single : A 116 ASN :FLIP amide:sc= -0.168 F(o=-0.69,f=-0.17) USER MOD Single : A 119 ASN : amide:sc= -6.35! C(o=-6.3!,f=-11!) USER MOD Single : A 120 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 HIS : no HD1:sc= -2.35 K(o=-2.4,f=-3.2!) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 LYS NZ :NH3+ -118:sc= -2.52! (180deg=-6.65!) USER MOD Single : A 125 ASN : amide:sc= 0.0843 X(o=0.084,f=0) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 MET CE :methyl -157:sc= -0.519 (180deg=-0.672) USER MOD Single : A 135 TYR OH : rot 30:sc= -0.909 USER MOD Single : A 142 SER OG : rot 180:sc= -0.692 USER MOD Single : A 144 HIS : no HD1:sc= -0.0169 X(o=-0.017,f=-0.0069) USER MOD ----------------------------------------------------------------- ATOM 74 N CYS A 1 4.826 15.321 -14.849 1.00 14.20 N ATOM 75 CA CYS A 1 4.403 14.736 -13.582 1.00 20.25 C ATOM 76 C CYS A 1 4.515 13.214 -13.622 1.00 14.03 C ATOM 77 O CYS A 1 4.987 12.642 -14.604 1.00 23.32 O ATOM 78 CB CYS A 1 2.964 15.144 -13.263 1.00 34.50 C ATOM 79 SG CYS A 1 2.824 16.703 -12.328 1.00 25.53 S ATOM 0 H1 CYS A 1 5.597 15.998 -14.679 1.00 14.20 H new ATOM 0 H2 CYS A 1 5.160 14.568 -15.485 1.00 14.20 H new ATOM 0 H3 CYS A 1 4.023 15.815 -15.289 1.00 14.20 H new ATOM 0 HA CYS A 1 5.062 15.111 -12.799 1.00 20.25 H new ATOM 0 HB2 CYS A 1 2.410 15.241 -14.196 1.00 34.50 H new ATOM 0 HB3 CYS A 1 2.489 14.346 -12.692 1.00 34.50 H new ATOM 83 N SER A 2 4.076 12.567 -12.547 1.00 25.13 N ATOM 84 CA SER A 2 4.130 11.112 -12.457 1.00 60.13 C ATOM 85 C SER A 2 5.574 10.621 -12.441 1.00 12.21 C ATOM 86 O SER A 2 6.039 9.999 -13.396 1.00 43.01 O ATOM 87 CB SER A 2 3.377 10.479 -13.629 1.00 51.11 C ATOM 88 OG SER A 2 2.310 11.307 -14.057 1.00 53.40 O ATOM 0 H SER A 2 3.679 13.026 -11.727 1.00 25.13 H new ATOM 0 HA SER A 2 3.653 10.813 -11.524 1.00 60.13 H new ATOM 0 HB2 SER A 2 4.064 10.309 -14.458 1.00 51.11 H new ATOM 0 HB3 SER A 2 2.989 9.505 -13.332 1.00 51.11 H new ATOM 0 HG SER A 2 1.846 10.881 -14.808 1.00 53.40 H new ATOM 93 N GLU A 3 6.278 10.906 -11.350 1.00 55.03 N ATOM 94 CA GLU A 3 7.669 10.495 -11.210 1.00 15.34 C ATOM 95 C GLU A 3 7.784 9.253 -10.331 1.00 35.12 C ATOM 96 O GLU A 3 7.009 9.050 -9.396 1.00 51.24 O ATOM 97 CB GLU A 3 8.504 11.633 -10.617 1.00 41.02 C ATOM 98 CG GLU A 3 8.629 12.838 -11.534 1.00 5.32 C ATOM 99 CD GLU A 3 9.409 12.530 -12.799 1.00 20.31 C ATOM 100 OE1 GLU A 3 10.543 12.020 -12.688 1.00 73.12 O ATOM 101 OE2 GLU A 3 8.883 12.798 -13.900 1.00 32.40 O ATOM 0 H GLU A 3 5.907 11.420 -10.551 1.00 55.03 H new ATOM 0 HA GLU A 3 8.051 10.253 -12.202 1.00 15.34 H new ATOM 0 HB2 GLU A 3 8.055 11.949 -9.675 1.00 41.02 H new ATOM 0 HB3 GLU A 3 9.501 11.258 -10.385 1.00 41.02 H new ATOM 0 HG2 GLU A 3 7.633 13.191 -11.802 1.00 5.32 H new ATOM 0 HG3 GLU A 3 9.120 13.649 -10.997 1.00 5.32 H new ATOM 106 N PRO A 4 8.775 8.402 -10.635 1.00 73.14 N ATOM 107 CA PRO A 4 9.016 7.166 -9.885 1.00 60.35 C ATOM 108 C PRO A 4 9.545 7.434 -8.480 1.00 54.54 C ATOM 109 O PRO A 4 8.774 7.560 -7.528 1.00 52.40 O ATOM 110 CB PRO A 4 10.070 6.441 -10.724 1.00 63.23 C ATOM 111 CG PRO A 4 10.772 7.523 -11.468 1.00 52.13 C ATOM 112 CD PRO A 4 9.738 8.582 -11.735 1.00 21.51 C ATOM 0 HA PRO A 4 8.100 6.593 -9.739 1.00 60.35 H new ATOM 0 HB2 PRO A 4 10.761 5.881 -10.094 1.00 63.23 H new ATOM 0 HB3 PRO A 4 9.610 5.726 -11.406 1.00 63.23 H new ATOM 0 HG2 PRO A 4 11.600 7.925 -10.883 1.00 52.13 H new ATOM 0 HG3 PRO A 4 11.193 7.146 -12.400 1.00 52.13 H new ATOM 0 HD2 PRO A 4 10.174 9.581 -11.728 1.00 21.51 H new ATOM 0 HD3 PRO A 4 9.266 8.447 -12.708 1.00 21.51 H new ATOM 117 N LEU A 5 10.865 7.521 -8.357 1.00 50.01 N ATOM 118 CA LEU A 5 11.499 7.775 -7.068 1.00 53.24 C ATOM 119 C LEU A 5 13.009 7.918 -7.223 1.00 15.22 C ATOM 120 O LEU A 5 13.611 8.857 -6.703 1.00 74.21 O ATOM 121 CB LEU A 5 11.180 6.644 -6.089 1.00 50.21 C ATOM 122 CG LEU A 5 11.352 5.223 -6.626 1.00 14.41 C ATOM 123 CD1 LEU A 5 12.655 4.618 -6.128 1.00 33.52 C ATOM 124 CD2 LEU A 5 10.170 4.354 -6.224 1.00 62.52 C ATOM 0 H LEU A 5 11.517 7.419 -9.135 1.00 50.01 H new ATOM 0 HA LEU A 5 11.103 8.711 -6.674 1.00 53.24 H new ATOM 0 HB2 LEU A 5 11.817 6.759 -5.212 1.00 50.21 H new ATOM 0 HB3 LEU A 5 10.150 6.762 -5.752 1.00 50.21 H new ATOM 0 HG LEU A 5 11.390 5.269 -7.714 1.00 14.41 H new ATOM 0 HD11 LEU A 5 12.760 3.607 -6.521 1.00 33.52 H new ATOM 0 HD12 LEU A 5 13.492 5.228 -6.467 1.00 33.52 H new ATOM 0 HD13 LEU A 5 12.648 4.585 -5.039 1.00 33.52 H new ATOM 0 HD21 LEU A 5 10.310 3.346 -6.615 1.00 62.52 H new ATOM 0 HD22 LEU A 5 10.100 4.315 -5.137 1.00 62.52 H new ATOM 0 HD23 LEU A 5 9.252 4.777 -6.632 1.00 62.52 H new ATOM 135 N GLY A 6 13.617 6.981 -7.943 1.00 4.41 N ATOM 136 CA GLY A 6 15.052 7.022 -8.156 1.00 40.20 C ATOM 137 C GLY A 6 15.446 6.572 -9.548 1.00 44.11 C ATOM 138 O GLY A 6 16.544 6.054 -9.755 1.00 34.15 O ATOM 0 H GLY A 6 13.141 6.193 -8.383 1.00 4.41 H new ATOM 0 HA2 GLY A 6 15.411 8.038 -7.991 1.00 40.20 H new ATOM 0 HA3 GLY A 6 15.543 6.386 -7.420 1.00 40.20 H new ATOM 142 N LEU A 7 14.547 6.767 -10.508 1.00 11.11 N ATOM 143 CA LEU A 7 14.806 6.376 -11.889 1.00 52.03 C ATOM 144 C LEU A 7 14.966 7.603 -12.781 1.00 62.14 C ATOM 145 O LEU A 7 15.006 7.492 -14.006 1.00 44.31 O ATOM 146 CB LEU A 7 13.669 5.497 -12.411 1.00 64.13 C ATOM 147 CG LEU A 7 13.118 4.459 -11.432 1.00 51.25 C ATOM 148 CD1 LEU A 7 11.886 3.779 -12.010 1.00 53.43 C ATOM 149 CD2 LEU A 7 14.185 3.431 -11.088 1.00 30.00 C ATOM 0 H LEU A 7 13.633 7.193 -10.355 1.00 11.11 H new ATOM 0 HA LEU A 7 15.736 5.809 -11.913 1.00 52.03 H new ATOM 0 HB2 LEU A 7 12.849 6.145 -12.722 1.00 64.13 H new ATOM 0 HB3 LEU A 7 14.019 4.976 -13.302 1.00 64.13 H new ATOM 0 HG LEU A 7 12.827 4.972 -10.515 1.00 51.25 H new ATOM 0 HD11 LEU A 7 11.509 3.044 -11.299 1.00 53.43 H new ATOM 0 HD12 LEU A 7 11.116 4.525 -12.204 1.00 53.43 H new ATOM 0 HD13 LEU A 7 12.150 3.280 -12.942 1.00 53.43 H new ATOM 0 HD21 LEU A 7 13.775 2.701 -10.390 1.00 30.00 H new ATOM 0 HD22 LEU A 7 14.508 2.923 -11.997 1.00 30.00 H new ATOM 0 HD23 LEU A 7 15.038 3.931 -10.630 1.00 30.00 H new ATOM 160 N LYS A 8 15.060 8.773 -12.159 1.00 74.41 N ATOM 161 CA LYS A 8 15.220 10.021 -12.894 1.00 42.44 C ATOM 162 C LYS A 8 16.576 10.654 -12.605 1.00 13.43 C ATOM 163 O LYS A 8 17.227 11.189 -13.501 1.00 42.43 O ATOM 164 CB LYS A 8 14.100 11.000 -12.530 1.00 21.45 C ATOM 165 CG LYS A 8 13.706 11.924 -13.669 1.00 75.44 C ATOM 166 CD LYS A 8 14.369 13.285 -13.537 1.00 72.11 C ATOM 167 CE LYS A 8 13.586 14.361 -14.274 1.00 4.23 C ATOM 168 NZ LYS A 8 14.329 14.875 -15.458 1.00 22.23 N ATOM 0 H LYS A 8 15.028 8.883 -11.145 1.00 74.41 H new ATOM 0 HA LYS A 8 15.165 9.795 -13.959 1.00 42.44 H new ATOM 0 HB2 LYS A 8 13.224 10.435 -12.212 1.00 21.45 H new ATOM 0 HB3 LYS A 8 14.417 11.602 -11.678 1.00 21.45 H new ATOM 0 HG2 LYS A 8 13.988 11.472 -14.620 1.00 75.44 H new ATOM 0 HG3 LYS A 8 12.623 12.046 -13.682 1.00 75.44 H new ATOM 0 HD2 LYS A 8 14.450 13.550 -12.483 1.00 72.11 H new ATOM 0 HD3 LYS A 8 15.383 13.236 -13.933 1.00 72.11 H new ATOM 0 HE2 LYS A 8 12.626 13.956 -14.595 1.00 4.23 H new ATOM 0 HE3 LYS A 8 13.372 15.185 -13.593 1.00 4.23 H new ATOM 0 HZ1 LYS A 8 13.762 15.606 -15.933 1.00 22.23 H new ATOM 0 HZ2 LYS A 8 15.234 15.285 -15.149 1.00 22.23 H new ATOM 0 HZ3 LYS A 8 14.511 14.094 -16.120 1.00 22.23 H new ATOM 178 N ASN A 9 16.999 10.587 -11.346 1.00 42.24 N ATOM 179 CA ASN A 9 18.280 11.153 -10.939 1.00 64.12 C ATOM 180 C ASN A 9 18.558 10.865 -9.466 1.00 41.13 C ATOM 181 O ASN A 9 19.708 10.698 -9.063 1.00 31.31 O ATOM 182 CB ASN A 9 18.297 12.662 -11.187 1.00 22.21 C ATOM 183 CG ASN A 9 19.201 13.047 -12.342 1.00 50.42 C ATOM 184 OD1 ASN A 9 20.401 12.773 -12.324 1.00 52.34 O ATOM 185 ND2 ASN A 9 18.627 13.687 -13.355 1.00 34.04 N ATOM 0 H ASN A 9 16.473 10.147 -10.591 1.00 42.24 H new ATOM 0 HA ASN A 9 19.062 10.685 -11.537 1.00 64.12 H new ATOM 0 HB2 ASN A 9 17.283 13.005 -11.392 1.00 22.21 H new ATOM 0 HB3 ASN A 9 18.629 13.172 -10.283 1.00 22.21 H new ATOM 0 HD21 ASN A 9 19.185 13.972 -14.160 1.00 34.04 H new ATOM 0 HD22 ASN A 9 17.628 13.894 -13.328 1.00 34.04 H new ATOM 191 N ASN A 10 17.496 10.808 -8.670 1.00 72.24 N ATOM 192 CA ASN A 10 17.625 10.541 -7.242 1.00 71.11 C ATOM 193 C ASN A 10 18.433 9.271 -6.996 1.00 45.32 C ATOM 194 O ASN A 10 19.245 9.206 -6.073 1.00 3.22 O ATOM 195 CB ASN A 10 16.242 10.411 -6.599 1.00 24.03 C ATOM 196 CG ASN A 10 15.607 11.758 -6.316 1.00 71.14 C ATOM 197 OD1 ASN A 10 15.737 12.684 -7.260 1.00 62.31 O flip ATOM 198 ND2 ASN A 10 15.007 11.965 -5.261 1.00 31.31 N flip ATOM 0 H ASN A 10 16.537 10.943 -8.989 1.00 72.24 H new ATOM 0 HA ASN A 10 18.153 11.380 -6.788 1.00 71.11 H new ATOM 0 HB2 ASN A 10 15.591 9.837 -7.258 1.00 24.03 H new ATOM 0 HB3 ASN A 10 16.328 9.850 -5.668 1.00 24.03 H new ATOM 0 HD21 ASN A 10 14.931 11.225 -4.563 1.00 31.31 H new ATOM 0 HD22 ASN A 10 14.585 12.877 -5.085 1.00 31.31 H new ATOM 204 N THR A 11 18.206 8.261 -7.831 1.00 2.10 N ATOM 205 CA THR A 11 18.912 6.992 -7.706 1.00 52.02 C ATOM 206 C THR A 11 18.875 6.482 -6.270 1.00 53.12 C ATOM 207 O THR A 11 19.907 6.117 -5.704 1.00 43.44 O ATOM 208 CB THR A 11 20.380 7.120 -8.157 1.00 64.53 C ATOM 209 OG1 THR A 11 21.129 7.854 -7.182 1.00 23.14 O ATOM 210 CG2 THR A 11 20.473 7.815 -9.506 1.00 32.22 C ATOM 0 H THR A 11 17.538 8.298 -8.601 1.00 2.10 H new ATOM 0 HA THR A 11 18.401 6.280 -8.354 1.00 52.02 H new ATOM 0 HB THR A 11 20.796 6.117 -8.255 1.00 64.53 H new ATOM 0 HG1 THR A 11 20.538 8.118 -6.446 1.00 23.14 H new ATOM 0 HG21 THR A 11 21.519 7.894 -9.803 1.00 32.22 H new ATOM 0 HG22 THR A 11 19.926 7.237 -10.251 1.00 32.22 H new ATOM 0 HG23 THR A 11 20.041 8.813 -9.432 1.00 32.22 H new ATOM 218 N ILE A 12 17.682 6.458 -5.686 1.00 53.12 N ATOM 219 CA ILE A 12 17.513 5.990 -4.316 1.00 62.43 C ATOM 220 C ILE A 12 18.202 4.647 -4.105 1.00 64.45 C ATOM 221 O ILE A 12 18.064 3.718 -4.902 1.00 0.33 O ATOM 222 CB ILE A 12 16.023 5.854 -3.949 1.00 73.42 C ATOM 223 CG1 ILE A 12 15.278 7.155 -4.257 1.00 34.11 C ATOM 224 CG2 ILE A 12 15.871 5.485 -2.481 1.00 34.11 C ATOM 225 CD1 ILE A 12 15.890 8.372 -3.598 1.00 4.23 C ATOM 0 H ILE A 12 16.819 6.757 -6.140 1.00 53.12 H new ATOM 0 HA ILE A 12 17.972 6.736 -3.668 1.00 62.43 H new ATOM 0 HB ILE A 12 15.587 5.057 -4.551 1.00 73.42 H new ATOM 0 HG12 ILE A 12 15.259 7.307 -5.336 1.00 34.11 H new ATOM 0 HG13 ILE A 12 14.243 7.057 -3.931 1.00 34.11 H new ATOM 0 HG21 ILE A 12 14.813 5.393 -2.237 1.00 34.11 H new ATOM 0 HG22 ILE A 12 16.372 4.536 -2.291 1.00 34.11 H new ATOM 0 HG23 ILE A 12 16.320 6.262 -1.862 1.00 34.11 H new ATOM 0 HD11 ILE A 12 15.311 9.257 -3.860 1.00 4.23 H new ATOM 0 HD12 ILE A 12 15.884 8.241 -2.516 1.00 4.23 H new ATOM 0 HD13 ILE A 12 16.917 8.495 -3.943 1.00 4.23 H new ATOM 236 N PRO A 13 18.959 4.537 -3.003 1.00 42.04 N ATOM 237 CA PRO A 13 19.683 3.309 -2.660 1.00 31.30 C ATOM 238 C PRO A 13 18.745 2.181 -2.246 1.00 20.34 C ATOM 239 O PRO A 13 19.174 1.192 -1.648 1.00 74.03 O ATOM 240 CB PRO A 13 20.562 3.734 -1.481 1.00 75.32 C ATOM 241 CG PRO A 13 19.846 4.891 -0.872 1.00 23.50 C ATOM 242 CD PRO A 13 19.168 5.603 -2.009 1.00 63.44 C ATOM 0 HA PRO A 13 20.244 2.915 -3.508 1.00 31.30 H new ATOM 0 HB2 PRO A 13 20.683 2.922 -0.764 1.00 75.32 H new ATOM 0 HB3 PRO A 13 21.561 4.017 -1.814 1.00 75.32 H new ATOM 0 HG2 PRO A 13 19.119 4.555 -0.133 1.00 23.50 H new ATOM 0 HG3 PRO A 13 20.542 5.553 -0.356 1.00 23.50 H new ATOM 0 HD2 PRO A 13 18.225 6.052 -1.697 1.00 63.44 H new ATOM 0 HD3 PRO A 13 19.788 6.407 -2.406 1.00 63.44 H new ATOM 247 N ASP A 14 17.465 2.333 -2.567 1.00 21.01 N ATOM 248 CA ASP A 14 16.468 1.325 -2.229 1.00 64.44 C ATOM 249 C ASP A 14 16.142 1.360 -0.739 1.00 63.24 C ATOM 250 O ASP A 14 15.329 0.574 -0.253 1.00 70.34 O ATOM 251 CB ASP A 14 16.963 -0.068 -2.623 1.00 15.13 C ATOM 252 CG ASP A 14 17.123 -0.985 -1.426 1.00 23.31 C ATOM 253 OD1 ASP A 14 18.211 -0.978 -0.815 1.00 23.52 O ATOM 254 OD2 ASP A 14 16.158 -1.710 -1.102 1.00 34.33 O ATOM 0 H ASP A 14 17.094 3.145 -3.061 1.00 21.01 H new ATOM 0 HA ASP A 14 15.559 1.549 -2.787 1.00 64.44 H new ATOM 0 HB2 ASP A 14 16.261 -0.514 -3.328 1.00 15.13 H new ATOM 0 HB3 ASP A 14 17.919 0.022 -3.139 1.00 15.13 H new ATOM 258 N SER A 15 16.781 2.276 -0.021 1.00 32.15 N ATOM 259 CA SER A 15 16.564 2.411 1.416 1.00 44.44 C ATOM 260 C SER A 15 15.315 3.241 1.700 1.00 25.55 C ATOM 261 O SER A 15 15.372 4.240 2.415 1.00 2.12 O ATOM 262 CB SER A 15 17.782 3.056 2.079 1.00 74.14 C ATOM 263 OG SER A 15 17.901 2.650 3.431 1.00 63.41 O ATOM 0 H SER A 15 17.454 2.937 -0.410 1.00 32.15 H new ATOM 0 HA SER A 15 16.419 1.414 1.833 1.00 44.44 H new ATOM 0 HB2 SER A 15 18.685 2.782 1.533 1.00 74.14 H new ATOM 0 HB3 SER A 15 17.696 4.141 2.028 1.00 74.14 H new ATOM 0 HG SER A 15 18.688 3.075 3.832 1.00 63.41 H new ATOM 268 N GLN A 16 14.190 2.817 1.134 1.00 23.02 N ATOM 269 CA GLN A 16 12.927 3.520 1.327 1.00 51.54 C ATOM 270 C GLN A 16 11.858 2.581 1.873 1.00 62.00 C ATOM 271 O GLN A 16 11.109 2.939 2.782 1.00 41.21 O ATOM 272 CB GLN A 16 12.456 4.136 0.007 1.00 31.01 C ATOM 273 CG GLN A 16 12.319 3.126 -1.120 1.00 10.22 C ATOM 274 CD GLN A 16 12.231 3.782 -2.484 1.00 52.21 C ATOM 275 OE1 GLN A 16 13.181 3.744 -3.267 1.00 20.53 O ATOM 276 NE2 GLN A 16 11.088 4.390 -2.777 1.00 44.02 N ATOM 0 H GLN A 16 14.127 1.991 0.539 1.00 23.02 H new ATOM 0 HA GLN A 16 13.090 4.315 2.054 1.00 51.54 H new ATOM 0 HB2 GLN A 16 11.494 4.624 0.166 1.00 31.01 H new ATOM 0 HB3 GLN A 16 13.160 4.911 -0.294 1.00 31.01 H new ATOM 0 HG2 GLN A 16 13.173 2.448 -1.101 1.00 10.22 H new ATOM 0 HG3 GLN A 16 11.428 2.521 -0.954 1.00 10.22 H new ATOM 0 HE21 GLN A 16 10.326 4.398 -2.099 1.00 44.02 H new ATOM 0 HE22 GLN A 16 10.972 4.849 -3.680 1.00 44.02 H new ATOM 283 N MET A 17 11.793 1.378 1.313 1.00 64.34 N ATOM 284 CA MET A 17 10.814 0.386 1.745 1.00 75.31 C ATOM 285 C MET A 17 11.377 -0.477 2.870 1.00 22.21 C ATOM 286 O MET A 17 12.579 -0.734 2.927 1.00 12.40 O ATOM 287 CB MET A 17 10.396 -0.497 0.569 1.00 4.23 C ATOM 288 CG MET A 17 9.171 0.015 -0.170 1.00 50.34 C ATOM 289 SD MET A 17 9.222 -0.350 -1.936 1.00 70.41 S ATOM 290 CE MET A 17 7.728 -1.319 -2.124 1.00 61.33 C ATOM 0 H MET A 17 12.406 1.066 0.560 1.00 64.34 H new ATOM 0 HA MET A 17 9.938 0.916 2.120 1.00 75.31 H new ATOM 0 HB2 MET A 17 11.228 -0.572 -0.132 1.00 4.23 H new ATOM 0 HB3 MET A 17 10.195 -1.504 0.935 1.00 4.23 H new ATOM 0 HG2 MET A 17 8.277 -0.432 0.264 1.00 50.34 H new ATOM 0 HG3 MET A 17 9.090 1.093 -0.028 1.00 50.34 H new ATOM 0 HE1 MET A 17 7.637 -1.651 -3.158 1.00 61.33 H new ATOM 0 HE2 MET A 17 7.773 -2.188 -1.467 1.00 61.33 H new ATOM 0 HE3 MET A 17 6.863 -0.709 -1.861 1.00 61.33 H new ATOM 298 N SER A 18 10.499 -0.923 3.764 1.00 12.10 N ATOM 299 CA SER A 18 10.910 -1.754 4.889 1.00 32.22 C ATOM 300 C SER A 18 9.731 -2.560 5.428 1.00 53.33 C ATOM 301 O SER A 18 8.779 -1.999 5.970 1.00 21.45 O ATOM 302 CB SER A 18 11.501 -0.888 6.002 1.00 53.14 C ATOM 303 OG SER A 18 10.733 0.287 6.196 1.00 74.55 O ATOM 0 H SER A 18 9.499 -0.723 3.730 1.00 12.10 H new ATOM 0 HA SER A 18 11.672 -2.449 4.536 1.00 32.22 H new ATOM 0 HB2 SER A 18 11.539 -1.459 6.930 1.00 53.14 H new ATOM 0 HB3 SER A 18 12.527 -0.618 5.751 1.00 53.14 H new ATOM 0 HG SER A 18 9.875 0.198 5.731 1.00 74.55 H new ATOM 308 N ALA A 19 9.803 -3.878 5.273 1.00 14.35 N ATOM 309 CA ALA A 19 8.745 -4.761 5.745 1.00 61.42 C ATOM 310 C ALA A 19 9.250 -5.683 6.850 1.00 5.50 C ATOM 311 O ALA A 19 10.442 -5.701 7.159 1.00 23.30 O ATOM 312 CB ALA A 19 8.183 -5.577 4.590 1.00 3.31 C ATOM 0 H ALA A 19 10.583 -4.357 4.824 1.00 14.35 H new ATOM 0 HA ALA A 19 7.949 -4.143 6.160 1.00 61.42 H new ATOM 0 HB1 ALA A 19 7.393 -6.232 4.958 1.00 3.31 H new ATOM 0 HB2 ALA A 19 7.775 -4.905 3.835 1.00 3.31 H new ATOM 0 HB3 ALA A 19 8.978 -6.179 4.149 1.00 3.31 H new ATOM 318 N SER A 20 8.338 -6.447 7.442 1.00 43.14 N ATOM 319 CA SER A 20 8.690 -7.368 8.515 1.00 3.14 C ATOM 320 C SER A 20 9.862 -8.256 8.106 1.00 61.02 C ATOM 321 O SER A 20 10.844 -8.384 8.837 1.00 70.30 O ATOM 322 CB SER A 20 7.486 -8.234 8.889 1.00 31.22 C ATOM 323 OG SER A 20 7.883 -9.565 9.172 1.00 12.32 O ATOM 0 H SER A 20 7.348 -6.446 7.196 1.00 43.14 H new ATOM 0 HA SER A 20 8.988 -6.779 9.382 1.00 3.14 H new ATOM 0 HB2 SER A 20 6.984 -7.808 9.758 1.00 31.22 H new ATOM 0 HB3 SER A 20 6.765 -8.232 8.072 1.00 31.22 H new ATOM 0 HG SER A 20 7.096 -10.098 9.410 1.00 12.32 H new ATOM 328 N SER A 21 9.751 -8.866 6.930 1.00 20.31 N ATOM 329 CA SER A 21 10.798 -9.745 6.423 1.00 22.23 C ATOM 330 C SER A 21 10.469 -10.228 5.014 1.00 73.02 C ATOM 331 O SER A 21 9.345 -10.064 4.537 1.00 15.13 O ATOM 332 CB SER A 21 10.981 -10.945 7.355 1.00 63.11 C ATOM 333 OG SER A 21 12.050 -11.769 6.922 1.00 11.30 O ATOM 0 H SER A 21 8.947 -8.767 6.311 1.00 20.31 H new ATOM 0 HA SER A 21 11.727 -9.177 6.385 1.00 22.23 H new ATOM 0 HB2 SER A 21 11.175 -10.596 8.369 1.00 63.11 H new ATOM 0 HB3 SER A 21 10.060 -11.527 7.389 1.00 63.11 H new ATOM 0 HG SER A 21 12.651 -11.948 7.675 1.00 11.30 H new ATOM 338 N SER A 22 11.455 -10.823 4.353 1.00 12.53 N ATOM 339 CA SER A 22 11.274 -11.325 2.996 1.00 43.03 C ATOM 340 C SER A 22 11.556 -12.823 2.929 1.00 35.12 C ATOM 341 O SER A 22 12.132 -13.399 3.851 1.00 35.22 O ATOM 342 CB SER A 22 12.190 -10.578 2.025 1.00 61.24 C ATOM 343 OG SER A 22 11.995 -9.178 2.115 1.00 52.13 O ATOM 0 H SER A 22 12.389 -10.970 4.735 1.00 12.53 H new ATOM 0 HA SER A 22 10.237 -11.155 2.708 1.00 43.03 H new ATOM 0 HB2 SER A 22 13.230 -10.818 2.244 1.00 61.24 H new ATOM 0 HB3 SER A 22 11.994 -10.911 1.006 1.00 61.24 H new ATOM 0 HG SER A 22 11.246 -8.914 1.540 1.00 52.13 H new ATOM 348 N TYR A 23 11.146 -13.448 1.830 1.00 55.23 N ATOM 349 CA TYR A 23 11.352 -14.879 1.642 1.00 74.02 C ATOM 350 C TYR A 23 12.807 -15.257 1.901 1.00 45.02 C ATOM 351 O TYR A 23 13.102 -16.363 2.355 1.00 24.41 O ATOM 352 CB TYR A 23 10.949 -15.291 0.226 1.00 65.44 C ATOM 353 CG TYR A 23 11.903 -14.805 -0.842 1.00 31.23 C ATOM 354 CD1 TYR A 23 11.938 -13.466 -1.211 1.00 42.23 C ATOM 355 CD2 TYR A 23 12.767 -15.684 -1.480 1.00 12.25 C ATOM 356 CE1 TYR A 23 12.808 -13.017 -2.186 1.00 43.41 C ATOM 357 CE2 TYR A 23 13.642 -15.244 -2.456 1.00 32.32 C ATOM 358 CZ TYR A 23 13.658 -13.909 -2.804 1.00 44.23 C ATOM 359 OH TYR A 23 14.526 -13.467 -3.776 1.00 2.44 O ATOM 0 H TYR A 23 10.669 -12.986 1.056 1.00 55.23 H new ATOM 0 HA TYR A 23 10.725 -15.409 2.359 1.00 74.02 H new ATOM 0 HB2 TYR A 23 10.886 -16.378 0.177 1.00 65.44 H new ATOM 0 HB3 TYR A 23 9.952 -14.904 0.014 1.00 65.44 H new ATOM 0 HD1 TYR A 23 11.274 -12.764 -0.728 1.00 42.23 H new ATOM 0 HD2 TYR A 23 12.756 -16.730 -1.210 1.00 12.25 H new ATOM 0 HE1 TYR A 23 12.822 -11.973 -2.462 1.00 43.41 H new ATOM 0 HE2 TYR A 23 14.308 -15.941 -2.943 1.00 32.32 H new ATOM 0 HH TYR A 23 15.055 -14.221 -4.109 1.00 2.44 H new ATOM 534 N TYR A 34 16.312 -5.634 1.680 1.00 42.45 N ATOM 535 CA TYR A 34 15.414 -6.739 1.366 1.00 43.21 C ATOM 536 C TYR A 34 14.344 -6.305 0.369 1.00 23.12 C ATOM 537 O TYR A 34 14.231 -6.844 -0.733 1.00 11.53 O ATOM 538 CB TYR A 34 14.755 -7.265 2.642 1.00 61.24 C ATOM 539 CG TYR A 34 15.427 -8.495 3.208 1.00 5.35 C ATOM 540 CD1 TYR A 34 15.641 -9.619 2.420 1.00 42.11 C ATOM 541 CD2 TYR A 34 15.850 -8.533 4.532 1.00 44.34 C ATOM 542 CE1 TYR A 34 16.254 -10.746 2.934 1.00 2.13 C ATOM 543 CE2 TYR A 34 16.466 -9.654 5.053 1.00 4.21 C ATOM 544 CZ TYR A 34 16.664 -10.759 4.250 1.00 14.34 C ATOM 545 OH TYR A 34 17.278 -11.878 4.765 1.00 74.23 O ATOM 0 HA TYR A 34 16.004 -7.536 0.914 1.00 43.21 H new ATOM 0 HB2 TYR A 34 14.763 -6.478 3.396 1.00 61.24 H new ATOM 0 HB3 TYR A 34 13.710 -7.496 2.433 1.00 61.24 H new ATOM 0 HD1 TYR A 34 15.323 -9.612 1.388 1.00 42.11 H new ATOM 0 HD2 TYR A 34 15.694 -7.671 5.164 1.00 44.34 H new ATOM 0 HE1 TYR A 34 16.411 -11.612 2.308 1.00 2.13 H new ATOM 0 HE2 TYR A 34 16.791 -9.666 6.083 1.00 4.21 H new ATOM 0 HH TYR A 34 17.505 -11.723 5.706 1.00 74.23 H new ATOM 554 N PRO A 35 13.539 -5.307 0.762 1.00 25.33 N ATOM 555 CA PRO A 35 12.463 -4.778 -0.082 1.00 22.35 C ATOM 556 C PRO A 35 12.998 -4.004 -1.282 1.00 64.02 C ATOM 557 O PRO A 35 14.192 -4.041 -1.576 1.00 5.14 O ATOM 558 CB PRO A 35 11.701 -3.844 0.861 1.00 52.21 C ATOM 559 CG PRO A 35 12.704 -3.438 1.885 1.00 70.33 C ATOM 560 CD PRO A 35 13.616 -4.619 2.062 1.00 23.24 C ATOM 0 HA PRO A 35 11.848 -5.572 -0.506 1.00 22.35 H new ATOM 0 HB2 PRO A 35 11.307 -2.979 0.328 1.00 52.21 H new ATOM 0 HB3 PRO A 35 10.851 -4.351 1.318 1.00 52.21 H new ATOM 0 HG2 PRO A 35 13.261 -2.560 1.559 1.00 70.33 H new ATOM 0 HG3 PRO A 35 12.218 -3.176 2.825 1.00 70.33 H new ATOM 0 HD2 PRO A 35 14.635 -4.309 2.293 1.00 23.24 H new ATOM 0 HD3 PRO A 35 13.286 -5.263 2.878 1.00 23.24 H new ATOM 565 N HIS A 36 12.104 -3.304 -1.974 1.00 31.43 N ATOM 566 CA HIS A 36 12.486 -2.520 -3.143 1.00 21.42 C ATOM 567 C HIS A 36 13.002 -3.425 -4.258 1.00 43.55 C ATOM 568 O HIS A 36 14.157 -3.321 -4.671 1.00 3.51 O ATOM 569 CB HIS A 36 13.555 -1.493 -2.768 1.00 61.43 C ATOM 570 CG HIS A 36 13.706 -0.393 -3.772 1.00 32.01 C ATOM 571 ND1 HIS A 36 14.393 -0.545 -4.958 1.00 54.11 N ATOM 572 CD2 HIS A 36 13.254 0.883 -3.762 1.00 4.21 C ATOM 573 CE1 HIS A 36 14.357 0.590 -5.634 1.00 0.24 C ATOM 574 NE2 HIS A 36 13.672 1.472 -4.930 1.00 41.15 N ATOM 0 H HIS A 36 11.111 -3.264 -1.745 1.00 31.43 H new ATOM 0 HA HIS A 36 11.601 -1.996 -3.504 1.00 21.42 H new ATOM 0 HB2 HIS A 36 13.306 -1.059 -1.800 1.00 61.43 H new ATOM 0 HB3 HIS A 36 14.512 -2.002 -2.652 1.00 61.43 H new ATOM 0 HD1 HIS A 36 14.857 -1.400 -5.265 1.00 54.11 H new ATOM 0 HD2 HIS A 36 12.673 1.351 -2.981 1.00 4.21 H new ATOM 0 HE1 HIS A 36 14.811 0.766 -6.598 1.00 0.24 H new ATOM 581 N LEU A 37 12.139 -4.311 -4.742 1.00 64.21 N ATOM 582 CA LEU A 37 12.507 -5.235 -5.809 1.00 52.23 C ATOM 583 C LEU A 37 11.910 -4.792 -7.141 1.00 65.13 C ATOM 584 O LEU A 37 12.502 -5.004 -8.199 1.00 42.10 O ATOM 585 CB LEU A 37 12.036 -6.650 -5.471 1.00 53.32 C ATOM 586 CG LEU A 37 12.798 -7.361 -4.351 1.00 62.12 C ATOM 587 CD1 LEU A 37 14.294 -7.322 -4.616 1.00 4.32 C ATOM 588 CD2 LEU A 37 12.476 -6.731 -3.003 1.00 45.50 C ATOM 0 H LEU A 37 11.179 -4.409 -4.412 1.00 64.21 H new ATOM 0 HA LEU A 37 13.593 -5.233 -5.900 1.00 52.23 H new ATOM 0 HB2 LEU A 37 10.983 -6.605 -5.195 1.00 53.32 H new ATOM 0 HB3 LEU A 37 12.103 -7.259 -6.373 1.00 53.32 H new ATOM 0 HG LEU A 37 12.481 -8.404 -4.327 1.00 62.12 H new ATOM 0 HD11 LEU A 37 14.820 -7.832 -3.809 1.00 4.32 H new ATOM 0 HD12 LEU A 37 14.509 -7.820 -5.561 1.00 4.32 H new ATOM 0 HD13 LEU A 37 14.627 -6.286 -4.668 1.00 4.32 H new ATOM 0 HD21 LEU A 37 13.027 -7.249 -2.218 1.00 45.50 H new ATOM 0 HD22 LEU A 37 12.764 -5.680 -3.015 1.00 45.50 H new ATOM 0 HD23 LEU A 37 11.406 -6.812 -2.810 1.00 45.50 H new ATOM 599 N GLY A 38 10.733 -4.175 -7.082 1.00 4.14 N ATOM 600 CA GLY A 38 10.077 -3.712 -8.290 1.00 71.25 C ATOM 601 C GLY A 38 10.901 -2.683 -9.039 1.00 75.35 C ATOM 602 O GLY A 38 11.084 -2.788 -10.252 1.00 5.03 O ATOM 0 H GLY A 38 10.223 -3.988 -6.219 1.00 4.14 H new ATOM 0 HA2 GLY A 38 9.883 -4.563 -8.943 1.00 71.25 H new ATOM 0 HA3 GLY A 38 9.110 -3.281 -8.032 1.00 71.25 H new ATOM 606 N ARG A 39 11.398 -1.684 -8.316 1.00 64.42 N ATOM 607 CA ARG A 39 12.204 -0.631 -8.921 1.00 20.24 C ATOM 608 C ARG A 39 11.737 -0.338 -10.343 1.00 14.31 C ATOM 609 O ARG A 39 10.767 0.392 -10.553 1.00 34.14 O ATOM 610 CB ARG A 39 13.680 -1.031 -8.929 1.00 33.01 C ATOM 611 CG ARG A 39 13.905 -2.530 -9.041 1.00 44.33 C ATOM 612 CD ARG A 39 15.362 -2.854 -9.334 1.00 32.13 C ATOM 613 NE ARG A 39 15.701 -4.227 -8.965 1.00 41.23 N ATOM 614 CZ ARG A 39 15.997 -4.604 -7.727 1.00 51.21 C ATOM 615 NH1 ARG A 39 15.996 -3.716 -6.742 1.00 42.24 N ATOM 616 NH2 ARG A 39 16.296 -5.870 -7.472 1.00 24.45 N ATOM 0 H ARG A 39 11.256 -1.582 -7.311 1.00 64.42 H new ATOM 0 HA ARG A 39 12.083 0.273 -8.324 1.00 20.24 H new ATOM 0 HB2 ARG A 39 14.178 -0.534 -9.762 1.00 33.01 H new ATOM 0 HB3 ARG A 39 14.151 -0.669 -8.015 1.00 33.01 H new ATOM 0 HG2 ARG A 39 13.603 -3.015 -8.113 1.00 44.33 H new ATOM 0 HG3 ARG A 39 13.275 -2.936 -9.832 1.00 44.33 H new ATOM 0 HD2 ARG A 39 15.561 -2.704 -10.395 1.00 32.13 H new ATOM 0 HD3 ARG A 39 16.004 -2.163 -8.789 1.00 32.13 H new ATOM 0 HE ARG A 39 15.711 -4.935 -9.699 1.00 41.23 H new ATOM 0 HH11 ARG A 39 15.767 -2.741 -6.935 1.00 42.24 H new ATOM 0 HH12 ARG A 39 16.224 -4.008 -5.792 1.00 42.24 H new ATOM 0 HH21 ARG A 39 16.299 -6.555 -8.227 1.00 24.45 H new ATOM 0 HH22 ARG A 39 16.523 -6.159 -6.520 1.00 24.45 H new ATOM 627 N LEU A 40 12.434 -0.911 -11.318 1.00 13.51 N ATOM 628 CA LEU A 40 12.092 -0.711 -12.723 1.00 33.42 C ATOM 629 C LEU A 40 13.047 -1.479 -13.630 1.00 4.40 C ATOM 630 O LEU A 40 14.239 -1.176 -13.692 1.00 55.43 O ATOM 631 CB LEU A 40 12.127 0.779 -13.069 1.00 20.12 C ATOM 632 CG LEU A 40 12.124 1.121 -14.560 1.00 24.25 C ATOM 633 CD1 LEU A 40 10.966 2.047 -14.892 1.00 51.42 C ATOM 634 CD2 LEU A 40 13.448 1.753 -14.963 1.00 4.23 C ATOM 0 H LEU A 40 13.239 -1.518 -11.162 1.00 13.51 H new ATOM 0 HA LEU A 40 11.083 -1.091 -12.884 1.00 33.42 H new ATOM 0 HB2 LEU A 40 11.266 1.260 -12.604 1.00 20.12 H new ATOM 0 HB3 LEU A 40 13.018 1.216 -12.618 1.00 20.12 H new ATOM 0 HG LEU A 40 11.997 0.198 -15.126 1.00 24.25 H new ATOM 0 HD11 LEU A 40 10.980 2.280 -15.957 1.00 51.42 H new ATOM 0 HD12 LEU A 40 10.025 1.558 -14.640 1.00 51.42 H new ATOM 0 HD13 LEU A 40 11.061 2.969 -14.318 1.00 51.42 H new ATOM 0 HD21 LEU A 40 13.429 1.990 -16.027 1.00 4.23 H new ATOM 0 HD22 LEU A 40 13.604 2.667 -14.390 1.00 4.23 H new ATOM 0 HD23 LEU A 40 14.261 1.055 -14.761 1.00 4.23 H new ATOM 645 N ASP A 41 12.516 -2.473 -14.334 1.00 41.52 N ATOM 646 CA ASP A 41 13.321 -3.282 -15.242 1.00 52.24 C ATOM 647 C ASP A 41 14.393 -4.053 -14.477 1.00 60.11 C ATOM 648 O ASP A 41 15.586 -3.792 -14.629 1.00 73.20 O ATOM 649 CB ASP A 41 13.973 -2.397 -16.306 1.00 21.43 C ATOM 650 CG ASP A 41 14.494 -3.197 -17.483 1.00 65.22 C ATOM 651 OD1 ASP A 41 15.596 -3.772 -17.369 1.00 12.25 O ATOM 652 OD2 ASP A 41 13.799 -3.250 -18.521 1.00 52.12 O ATOM 0 H ASP A 41 11.532 -2.738 -14.293 1.00 41.52 H new ATOM 0 HA ASP A 41 12.662 -3.999 -15.731 1.00 52.24 H new ATOM 0 HB2 ASP A 41 13.247 -1.665 -16.660 1.00 21.43 H new ATOM 0 HB3 ASP A 41 14.795 -1.839 -15.857 1.00 21.43 H new ATOM 656 N ASN A 42 13.959 -5.002 -13.655 1.00 61.22 N ATOM 657 CA ASN A 42 14.881 -5.810 -12.866 1.00 31.12 C ATOM 658 C ASN A 42 15.965 -6.419 -13.750 1.00 71.51 C ATOM 659 O ASN A 42 15.891 -6.347 -14.976 1.00 14.34 O ATOM 660 CB ASN A 42 14.122 -6.918 -12.133 1.00 63.10 C ATOM 661 CG ASN A 42 13.713 -8.048 -13.059 1.00 73.30 C ATOM 662 OD1 ASN A 42 14.286 -9.137 -13.018 1.00 20.30 O ATOM 663 ND2 ASN A 42 12.718 -7.793 -13.900 1.00 53.10 N ATOM 0 H ASN A 42 12.974 -5.231 -13.518 1.00 61.22 H new ATOM 0 HA ASN A 42 15.358 -5.160 -12.133 1.00 31.12 H new ATOM 0 HB2 ASN A 42 14.747 -7.315 -11.333 1.00 63.10 H new ATOM 0 HB3 ASN A 42 13.233 -6.497 -11.663 1.00 63.10 H new ATOM 0 HD21 ASN A 42 12.400 -8.514 -14.547 1.00 53.10 H new ATOM 0 HD22 ASN A 42 12.272 -6.876 -13.899 1.00 53.10 H new ATOM 669 N GLN A 43 16.969 -7.018 -13.117 1.00 42.23 N ATOM 670 CA GLN A 43 18.068 -7.640 -13.847 1.00 42.51 C ATOM 671 C GLN A 43 18.130 -9.137 -13.566 1.00 52.00 C ATOM 672 O GLN A 43 18.768 -9.890 -14.301 1.00 22.22 O ATOM 673 CB GLN A 43 19.396 -6.982 -13.468 1.00 70.33 C ATOM 674 CG GLN A 43 19.505 -6.640 -11.991 1.00 71.31 C ATOM 675 CD GLN A 43 19.025 -5.236 -11.680 1.00 20.44 C ATOM 676 OE1 GLN A 43 18.384 -4.589 -12.508 1.00 53.14 O ATOM 677 NE2 GLN A 43 19.334 -4.757 -10.480 1.00 44.12 N ATOM 0 H GLN A 43 17.044 -7.086 -12.102 1.00 42.23 H new ATOM 0 HA GLN A 43 17.890 -7.497 -14.913 1.00 42.51 H new ATOM 0 HB2 GLN A 43 20.213 -7.650 -13.739 1.00 70.33 H new ATOM 0 HB3 GLN A 43 19.521 -6.071 -14.054 1.00 70.33 H new ATOM 0 HG2 GLN A 43 18.921 -7.356 -11.412 1.00 71.31 H new ATOM 0 HG3 GLN A 43 20.543 -6.744 -11.674 1.00 71.31 H new ATOM 0 HE21 GLN A 43 19.867 -5.328 -9.825 1.00 44.12 H new ATOM 0 HE22 GLN A 43 19.038 -3.818 -10.214 1.00 44.12 H new ATOM 684 N GLY A 44 17.463 -9.562 -12.498 1.00 1.11 N ATOM 685 CA GLY A 44 17.455 -10.969 -12.138 1.00 51.30 C ATOM 686 C GLY A 44 16.175 -11.666 -12.553 1.00 50.23 C ATOM 687 O GLY A 44 16.147 -12.389 -13.549 1.00 1.00 O ATOM 0 H GLY A 44 16.928 -8.958 -11.875 1.00 1.11 H new ATOM 0 HA2 GLY A 44 18.304 -11.466 -12.607 1.00 51.30 H new ATOM 0 HA3 GLY A 44 17.585 -11.066 -11.060 1.00 51.30 H new ATOM 691 N LYS A 45 15.111 -11.452 -11.786 1.00 12.44 N ATOM 692 CA LYS A 45 13.821 -12.066 -12.077 1.00 52.34 C ATOM 693 C LYS A 45 12.808 -11.749 -10.982 1.00 53.11 C ATOM 694 O LYS A 45 11.599 -11.799 -11.209 1.00 13.34 O ATOM 695 CB LYS A 45 13.975 -13.581 -12.222 1.00 42.12 C ATOM 696 CG LYS A 45 14.865 -14.206 -11.162 1.00 3.40 C ATOM 697 CD LYS A 45 14.173 -14.253 -9.810 1.00 12.33 C ATOM 698 CE LYS A 45 14.263 -15.636 -9.185 1.00 0.22 C ATOM 699 NZ LYS A 45 14.661 -15.573 -7.752 1.00 11.22 N ATOM 0 H LYS A 45 15.117 -10.857 -10.957 1.00 12.44 H new ATOM 0 HA LYS A 45 13.454 -11.653 -13.017 1.00 52.34 H new ATOM 0 HB2 LYS A 45 12.989 -14.044 -12.176 1.00 42.12 H new ATOM 0 HB3 LYS A 45 14.386 -13.803 -13.207 1.00 42.12 H new ATOM 0 HG2 LYS A 45 15.140 -15.216 -11.466 1.00 3.40 H new ATOM 0 HG3 LYS A 45 15.790 -13.635 -11.079 1.00 3.40 H new ATOM 0 HD2 LYS A 45 14.627 -13.521 -9.142 1.00 12.33 H new ATOM 0 HD3 LYS A 45 13.126 -13.973 -9.926 1.00 12.33 H new ATOM 0 HE2 LYS A 45 13.299 -16.137 -9.272 1.00 0.22 H new ATOM 0 HE3 LYS A 45 14.986 -16.237 -9.736 1.00 0.22 H new ATOM 0 HZ1 LYS A 45 14.711 -16.536 -7.363 1.00 11.22 H new ATOM 0 HZ2 LYS A 45 15.592 -15.118 -7.670 1.00 11.22 H new ATOM 0 HZ3 LYS A 45 13.958 -15.021 -7.220 1.00 11.22 H new ATOM 709 N ILE A 46 13.310 -11.422 -9.796 1.00 22.40 N ATOM 710 CA ILE A 46 12.448 -11.095 -8.666 1.00 3.25 C ATOM 711 C ILE A 46 11.452 -10.001 -9.034 1.00 41.21 C ATOM 712 O ILE A 46 10.252 -10.249 -9.135 1.00 60.24 O ATOM 713 CB ILE A 46 13.269 -10.638 -7.446 1.00 23.52 C ATOM 714 CG1 ILE A 46 14.310 -11.697 -7.079 1.00 12.03 C ATOM 715 CG2 ILE A 46 12.351 -10.360 -6.266 1.00 75.53 C ATOM 716 CD1 ILE A 46 15.704 -11.368 -7.567 1.00 71.15 C ATOM 0 H ILE A 46 14.308 -11.376 -9.592 1.00 22.40 H new ATOM 0 HA ILE A 46 11.906 -12.005 -8.408 1.00 3.25 H new ATOM 0 HB ILE A 46 13.791 -9.716 -7.702 1.00 23.52 H new ATOM 0 HG12 ILE A 46 14.331 -11.814 -5.996 1.00 12.03 H new ATOM 0 HG13 ILE A 46 14.004 -12.656 -7.497 1.00 12.03 H new ATOM 0 HG21 ILE A 46 12.945 -10.038 -5.411 1.00 75.53 H new ATOM 0 HG22 ILE A 46 11.643 -9.575 -6.533 1.00 75.53 H new ATOM 0 HG23 ILE A 46 11.806 -11.268 -6.008 1.00 75.53 H new ATOM 0 HD11 ILE A 46 16.390 -12.162 -7.271 1.00 71.15 H new ATOM 0 HD12 ILE A 46 15.698 -11.280 -8.653 1.00 71.15 H new ATOM 0 HD13 ILE A 46 16.030 -10.425 -7.128 1.00 71.15 H new ATOM 727 N ASN A 47 11.960 -8.789 -9.234 1.00 41.03 N ATOM 728 CA ASN A 47 11.114 -7.656 -9.592 1.00 15.42 C ATOM 729 C ASN A 47 9.835 -7.648 -8.762 1.00 63.21 C ATOM 730 O ASN A 47 8.774 -7.245 -9.240 1.00 11.24 O ATOM 731 CB ASN A 47 10.770 -7.700 -11.082 1.00 71.11 C ATOM 732 CG ASN A 47 9.921 -8.904 -11.443 1.00 50.40 C ATOM 733 OD1 ASN A 47 8.838 -9.101 -10.893 1.00 62.31 O ATOM 734 ND2 ASN A 47 10.413 -9.717 -12.371 1.00 53.31 N ATOM 0 H ASN A 47 12.952 -8.566 -9.154 1.00 41.03 H new ATOM 0 HA ASN A 47 11.667 -6.741 -9.381 1.00 15.42 H new ATOM 0 HB2 ASN A 47 10.239 -6.789 -11.357 1.00 71.11 H new ATOM 0 HB3 ASN A 47 11.691 -7.720 -11.665 1.00 71.11 H new ATOM 0 HD21 ASN A 47 9.888 -10.544 -12.654 1.00 53.31 H new ATOM 0 HD22 ASN A 47 11.316 -9.514 -12.800 1.00 53.31 H new ATOM 740 N ALA A 48 9.941 -8.097 -7.516 1.00 73.22 N ATOM 741 CA ALA A 48 8.793 -8.139 -6.618 1.00 21.15 C ATOM 742 C ALA A 48 9.189 -8.668 -5.244 1.00 10.35 C ATOM 743 O ALA A 48 9.795 -9.734 -5.130 1.00 61.03 O ATOM 744 CB ALA A 48 7.687 -8.996 -7.217 1.00 62.41 C ATOM 0 H ALA A 48 10.810 -8.437 -7.105 1.00 73.22 H new ATOM 0 HA ALA A 48 8.423 -7.121 -6.493 1.00 21.15 H new ATOM 0 HB1 ALA A 48 6.836 -9.019 -6.537 1.00 62.41 H new ATOM 0 HB2 ALA A 48 7.376 -8.573 -8.173 1.00 62.41 H new ATOM 0 HB3 ALA A 48 8.056 -10.010 -7.371 1.00 62.41 H new ATOM 750 N TRP A 49 8.847 -7.917 -4.204 1.00 64.25 N ATOM 751 CA TRP A 49 9.168 -8.310 -2.837 1.00 64.34 C ATOM 752 C TRP A 49 8.254 -9.437 -2.366 1.00 53.05 C ATOM 753 O TRP A 49 7.039 -9.389 -2.565 1.00 72.10 O ATOM 754 CB TRP A 49 9.047 -7.110 -1.897 1.00 64.14 C ATOM 755 CG TRP A 49 8.982 -7.493 -0.450 1.00 64.44 C ATOM 756 CD1 TRP A 49 10.023 -7.546 0.432 1.00 45.35 C ATOM 757 CD2 TRP A 49 7.813 -7.881 0.282 1.00 35.21 C ATOM 758 NE1 TRP A 49 9.573 -7.942 1.668 1.00 0.00 N ATOM 759 CE2 TRP A 49 8.221 -8.152 1.604 1.00 3.41 C ATOM 760 CE3 TRP A 49 6.463 -8.022 -0.047 1.00 52.31 C ATOM 761 CZ2 TRP A 49 7.326 -8.557 2.590 1.00 5.34 C ATOM 762 CZ3 TRP A 49 5.576 -8.424 0.932 1.00 33.12 C ATOM 763 CH2 TRP A 49 6.010 -8.687 2.238 1.00 72.21 C ATOM 0 H TRP A 49 8.347 -7.031 -4.281 1.00 64.25 H new ATOM 0 HA TRP A 49 10.196 -8.671 -2.821 1.00 64.34 H new ATOM 0 HB2 TRP A 49 9.899 -6.449 -2.052 1.00 64.14 H new ATOM 0 HB3 TRP A 49 8.153 -6.543 -2.156 1.00 64.14 H new ATOM 0 HD1 TRP A 49 11.050 -7.311 0.193 1.00 45.35 H new ATOM 0 HE1 TRP A 49 10.152 -8.061 2.499 1.00 0.00 H new ATOM 0 HE3 TRP A 49 6.119 -7.820 -1.050 1.00 52.31 H new ATOM 0 HZ2 TRP A 49 7.658 -8.761 3.597 1.00 5.34 H new ATOM 0 HZ3 TRP A 49 4.530 -8.538 0.687 1.00 33.12 H new ATOM 0 HH2 TRP A 49 5.292 -8.999 2.982 1.00 72.21 H new ATOM 773 N THR A 50 8.844 -10.449 -1.739 1.00 73.32 N ATOM 774 CA THR A 50 8.083 -11.587 -1.240 1.00 53.23 C ATOM 775 C THR A 50 8.071 -11.615 0.285 1.00 41.50 C ATOM 776 O THR A 50 8.851 -10.919 0.934 1.00 51.44 O ATOM 777 CB THR A 50 8.654 -12.918 -1.763 1.00 33.55 C ATOM 778 OG1 THR A 50 9.345 -12.703 -2.997 1.00 1.45 O ATOM 779 CG2 THR A 50 7.546 -13.940 -1.966 1.00 22.31 C ATOM 0 H THR A 50 9.847 -10.504 -1.565 1.00 73.32 H new ATOM 0 HA THR A 50 7.063 -11.470 -1.606 1.00 53.23 H new ATOM 0 HB THR A 50 9.351 -13.306 -1.020 1.00 33.55 H new ATOM 0 HG1 THR A 50 10.306 -12.838 -2.862 1.00 1.45 H new ATOM 0 HG21 THR A 50 7.974 -14.872 -2.336 1.00 22.31 H new ATOM 0 HG22 THR A 50 7.042 -14.123 -1.017 1.00 22.31 H new ATOM 0 HG23 THR A 50 6.827 -13.558 -2.691 1.00 22.31 H new ATOM 787 N ALA A 51 7.182 -12.425 0.850 1.00 13.45 N ATOM 788 CA ALA A 51 7.072 -12.546 2.299 1.00 51.42 C ATOM 789 C ALA A 51 8.066 -13.566 2.842 1.00 64.11 C ATOM 790 O ALA A 51 8.550 -14.426 2.106 1.00 0.03 O ATOM 791 CB ALA A 51 5.652 -12.929 2.689 1.00 34.33 C ATOM 0 H ALA A 51 6.528 -13.007 0.327 1.00 13.45 H new ATOM 0 HA ALA A 51 7.310 -11.578 2.739 1.00 51.42 H new ATOM 0 HB1 ALA A 51 5.583 -13.016 3.773 1.00 34.33 H new ATOM 0 HB2 ALA A 51 4.960 -12.162 2.342 1.00 34.33 H new ATOM 0 HB3 ALA A 51 5.394 -13.884 2.231 1.00 34.33 H new ATOM 797 N GLN A 52 8.365 -13.465 4.133 1.00 60.41 N ATOM 798 CA GLN A 52 9.303 -14.380 4.773 1.00 33.20 C ATOM 799 C GLN A 52 8.599 -15.657 5.220 1.00 42.22 C ATOM 800 O GLN A 52 8.963 -16.756 4.801 1.00 25.11 O ATOM 801 CB GLN A 52 9.968 -13.704 5.974 1.00 42.01 C ATOM 802 CG GLN A 52 10.982 -14.587 6.684 1.00 61.45 C ATOM 803 CD GLN A 52 10.946 -14.420 8.191 1.00 52.23 C ATOM 804 OE1 GLN A 52 9.875 -14.396 8.799 1.00 53.01 O ATOM 805 NE2 GLN A 52 12.119 -14.303 8.801 1.00 31.34 N ATOM 0 H GLN A 52 7.972 -12.759 4.756 1.00 60.41 H new ATOM 0 HA GLN A 52 10.068 -14.645 4.043 1.00 33.20 H new ATOM 0 HB2 GLN A 52 10.463 -12.793 5.639 1.00 42.01 H new ATOM 0 HB3 GLN A 52 9.198 -13.405 6.685 1.00 42.01 H new ATOM 0 HG2 GLN A 52 10.789 -15.630 6.433 1.00 61.45 H new ATOM 0 HG3 GLN A 52 11.982 -14.351 6.320 1.00 61.45 H new ATOM 0 HE21 GLN A 52 12.981 -14.328 8.257 1.00 31.34 H new ATOM 0 HE22 GLN A 52 12.158 -14.188 9.814 1.00 31.34 H new ATOM 812 N SER A 53 7.590 -15.504 6.071 1.00 24.24 N ATOM 813 CA SER A 53 6.838 -16.647 6.578 1.00 55.42 C ATOM 814 C SER A 53 5.576 -16.875 5.752 1.00 74.34 C ATOM 815 O SER A 53 4.718 -17.678 6.117 1.00 30.24 O ATOM 816 CB SER A 53 6.468 -16.431 8.046 1.00 15.54 C ATOM 817 OG SER A 53 7.626 -16.405 8.864 1.00 34.01 O ATOM 0 H SER A 53 7.274 -14.601 6.424 1.00 24.24 H new ATOM 0 HA SER A 53 7.470 -17.531 6.497 1.00 55.42 H new ATOM 0 HB2 SER A 53 5.922 -15.494 8.153 1.00 15.54 H new ATOM 0 HB3 SER A 53 5.802 -17.228 8.378 1.00 15.54 H new ATOM 0 HG SER A 53 8.183 -15.637 8.618 1.00 34.01 H new ATOM 822 N ASN A 54 5.469 -16.160 4.636 1.00 70.32 N ATOM 823 CA ASN A 54 4.310 -16.282 3.759 1.00 10.22 C ATOM 824 C ASN A 54 3.023 -16.397 4.568 1.00 74.41 C ATOM 825 O ASN A 54 2.238 -17.327 4.380 1.00 15.24 O ATOM 826 CB ASN A 54 4.463 -17.502 2.847 1.00 41.24 C ATOM 827 CG ASN A 54 4.640 -18.790 3.629 1.00 53.53 C ATOM 828 OD1 ASN A 54 5.889 -19.146 3.904 1.00 61.21 O flip ATOM 829 ND2 ASN A 54 3.666 -19.455 3.979 1.00 13.15 N flip ATOM 0 H ASN A 54 6.170 -15.491 4.318 1.00 70.32 H new ATOM 0 HA ASN A 54 4.253 -15.382 3.147 1.00 10.22 H new ATOM 0 HB2 ASN A 54 3.585 -17.586 2.207 1.00 41.24 H new ATOM 0 HB3 ASN A 54 5.322 -17.357 2.192 1.00 41.24 H new ATOM 0 HD21 ASN A 54 2.724 -19.142 3.745 1.00 13.15 H new ATOM 0 HD22 ASN A 54 3.801 -20.319 4.503 1.00 13.15 H new ATOM 835 N SER A 55 2.811 -15.444 5.472 1.00 3.42 N ATOM 836 CA SER A 55 1.621 -15.439 6.313 1.00 30.40 C ATOM 837 C SER A 55 0.930 -14.080 6.271 1.00 1.41 C ATOM 838 O SER A 55 1.264 -13.228 5.446 1.00 34.40 O ATOM 839 CB SER A 55 1.989 -15.792 7.756 1.00 54.30 C ATOM 840 OG SER A 55 0.926 -16.468 8.404 1.00 61.14 O ATOM 0 H SER A 55 3.449 -14.666 5.640 1.00 3.42 H new ATOM 0 HA SER A 55 0.931 -16.189 5.927 1.00 30.40 H new ATOM 0 HB2 SER A 55 2.881 -16.419 7.764 1.00 54.30 H new ATOM 0 HB3 SER A 55 2.234 -14.883 8.305 1.00 54.30 H new ATOM 0 HG SER A 55 1.188 -16.684 9.324 1.00 61.14 H new ATOM 845 N ALA A 56 -0.034 -13.884 7.163 1.00 34.22 N ATOM 846 CA ALA A 56 -0.771 -12.628 7.229 1.00 20.31 C ATOM 847 C ALA A 56 -0.170 -11.694 8.273 1.00 12.11 C ATOM 848 O ALA A 56 -0.646 -10.575 8.468 1.00 55.30 O ATOM 849 CB ALA A 56 -2.238 -12.892 7.536 1.00 32.34 C ATOM 0 H ALA A 56 -0.324 -14.579 7.851 1.00 34.22 H new ATOM 0 HA ALA A 56 -0.697 -12.140 6.257 1.00 20.31 H new ATOM 0 HB1 ALA A 56 -2.776 -11.945 7.582 1.00 32.34 H new ATOM 0 HB2 ALA A 56 -2.667 -13.515 6.752 1.00 32.34 H new ATOM 0 HB3 ALA A 56 -2.323 -13.405 8.494 1.00 32.34 H new ATOM 855 N LYS A 57 0.879 -12.159 8.944 1.00 43.13 N ATOM 856 CA LYS A 57 1.546 -11.364 9.968 1.00 24.13 C ATOM 857 C LYS A 57 2.607 -10.461 9.350 1.00 14.21 C ATOM 858 O LYS A 57 3.352 -9.788 10.062 1.00 52.31 O ATOM 859 CB LYS A 57 2.187 -12.280 11.014 1.00 75.13 C ATOM 860 CG LYS A 57 1.205 -13.238 11.668 1.00 15.34 C ATOM 861 CD LYS A 57 1.863 -14.566 12.004 1.00 11.41 C ATOM 862 CE LYS A 57 1.205 -15.224 13.206 1.00 30.24 C ATOM 863 NZ LYS A 57 2.110 -15.249 14.389 1.00 12.44 N ATOM 0 H LYS A 57 1.285 -13.083 8.797 1.00 43.13 H new ATOM 0 HA LYS A 57 0.797 -10.736 10.452 1.00 24.13 H new ATOM 0 HB2 LYS A 57 2.983 -12.855 10.542 1.00 75.13 H new ATOM 0 HB3 LYS A 57 2.652 -11.667 11.786 1.00 75.13 H new ATOM 0 HG2 LYS A 57 0.806 -12.788 12.577 1.00 15.34 H new ATOM 0 HG3 LYS A 57 0.361 -13.408 11.000 1.00 15.34 H new ATOM 0 HD2 LYS A 57 1.801 -15.232 11.144 1.00 11.41 H new ATOM 0 HD3 LYS A 57 2.922 -14.407 12.209 1.00 11.41 H new ATOM 0 HE2 LYS A 57 0.291 -14.687 13.459 1.00 30.24 H new ATOM 0 HE3 LYS A 57 0.915 -16.243 12.949 1.00 30.24 H new ATOM 0 HZ1 LYS A 57 1.625 -15.705 15.188 1.00 12.44 H new ATOM 0 HZ2 LYS A 57 2.971 -15.783 14.156 1.00 12.44 H new ATOM 0 HZ3 LYS A 57 2.367 -14.276 14.650 1.00 12.44 H new ATOM 873 N GLU A 58 2.669 -10.449 8.023 1.00 43.14 N ATOM 874 CA GLU A 58 3.639 -9.625 7.310 1.00 23.03 C ATOM 875 C GLU A 58 3.091 -8.222 7.073 1.00 41.23 C ATOM 876 O GLU A 58 1.878 -8.008 7.077 1.00 33.10 O ATOM 877 CB GLU A 58 4.008 -10.274 5.974 1.00 51.14 C ATOM 878 CG GLU A 58 4.588 -11.671 6.114 1.00 73.20 C ATOM 879 CD GLU A 58 6.100 -11.666 6.221 1.00 33.03 C ATOM 880 OE1 GLU A 58 6.741 -10.854 5.521 1.00 22.22 O ATOM 881 OE2 GLU A 58 6.643 -12.472 7.004 1.00 22.13 O ATOM 0 H GLU A 58 2.059 -11.000 7.419 1.00 43.14 H new ATOM 0 HA GLU A 58 4.534 -9.546 7.927 1.00 23.03 H new ATOM 0 HB2 GLU A 58 3.119 -10.320 5.345 1.00 51.14 H new ATOM 0 HB3 GLU A 58 4.730 -9.640 5.459 1.00 51.14 H new ATOM 0 HG2 GLU A 58 4.166 -12.149 6.998 1.00 73.20 H new ATOM 0 HG3 GLU A 58 4.290 -12.272 5.255 1.00 73.20 H new ATOM 886 N TRP A 59 3.992 -7.269 6.866 1.00 14.21 N ATOM 887 CA TRP A 59 3.600 -5.884 6.628 1.00 32.20 C ATOM 888 C TRP A 59 4.742 -5.096 5.995 1.00 22.20 C ATOM 889 O TRP A 59 5.907 -5.280 6.349 1.00 1.12 O ATOM 890 CB TRP A 59 3.171 -5.222 7.937 1.00 75.32 C ATOM 891 CG TRP A 59 4.117 -5.477 9.071 1.00 1.31 C ATOM 892 CD1 TRP A 59 5.397 -5.014 9.190 1.00 1.01 C ATOM 893 CD2 TRP A 59 3.860 -6.256 10.244 1.00 73.33 C ATOM 894 NE1 TRP A 59 5.951 -5.460 10.366 1.00 60.55 N ATOM 895 CE2 TRP A 59 5.027 -6.222 11.032 1.00 43.21 C ATOM 896 CE3 TRP A 59 2.756 -6.977 10.707 1.00 4.05 C ATOM 897 CZ2 TRP A 59 5.120 -6.884 12.253 1.00 33.11 C ATOM 898 CZ3 TRP A 59 2.850 -7.633 11.919 1.00 74.52 C ATOM 899 CH2 TRP A 59 4.024 -7.582 12.682 1.00 23.04 C ATOM 0 H TRP A 59 4.999 -7.429 6.858 1.00 14.21 H new ATOM 0 HA TRP A 59 2.757 -5.885 5.937 1.00 32.20 H new ATOM 0 HB2 TRP A 59 3.085 -4.147 7.780 1.00 75.32 H new ATOM 0 HB3 TRP A 59 2.180 -5.585 8.211 1.00 75.32 H new ATOM 0 HD1 TRP A 59 5.900 -4.389 8.466 1.00 1.01 H new ATOM 0 HE1 TRP A 59 6.896 -5.257 10.690 1.00 60.55 H new ATOM 0 HE3 TRP A 59 1.846 -7.021 10.128 1.00 4.05 H new ATOM 0 HZ2 TRP A 59 6.025 -6.848 12.841 1.00 33.11 H new ATOM 0 HZ3 TRP A 59 2.004 -8.195 12.285 1.00 74.52 H new ATOM 0 HH2 TRP A 59 4.065 -8.104 13.627 1.00 23.04 H new ATOM 909 N LEU A 60 4.400 -4.218 5.059 1.00 51.41 N ATOM 910 CA LEU A 60 5.398 -3.400 4.377 1.00 3.31 C ATOM 911 C LEU A 60 5.195 -1.921 4.688 1.00 51.01 C ATOM 912 O LEU A 60 4.107 -1.380 4.489 1.00 14.45 O ATOM 913 CB LEU A 60 5.328 -3.630 2.866 1.00 4.13 C ATOM 914 CG LEU A 60 6.405 -2.936 2.031 1.00 64.33 C ATOM 915 CD1 LEU A 60 7.337 -3.962 1.404 1.00 55.53 C ATOM 916 CD2 LEU A 60 5.767 -2.065 0.958 1.00 14.52 C ATOM 0 H LEU A 60 3.440 -4.054 4.755 1.00 51.41 H new ATOM 0 HA LEU A 60 6.383 -3.696 4.738 1.00 3.31 H new ATOM 0 HB2 LEU A 60 5.386 -4.702 2.679 1.00 4.13 H new ATOM 0 HB3 LEU A 60 4.352 -3.297 2.513 1.00 4.13 H new ATOM 0 HG LEU A 60 6.993 -2.296 2.689 1.00 64.33 H new ATOM 0 HD11 LEU A 60 8.097 -3.450 0.813 1.00 55.53 H new ATOM 0 HD12 LEU A 60 7.819 -4.544 2.190 1.00 55.53 H new ATOM 0 HD13 LEU A 60 6.764 -4.628 0.759 1.00 55.53 H new ATOM 0 HD21 LEU A 60 6.547 -1.578 0.373 1.00 14.52 H new ATOM 0 HD22 LEU A 60 5.155 -2.685 0.303 1.00 14.52 H new ATOM 0 HD23 LEU A 60 5.141 -1.307 1.429 1.00 14.52 H new ATOM 927 N GLN A 61 6.249 -1.274 5.173 1.00 33.14 N ATOM 928 CA GLN A 61 6.186 0.144 5.510 1.00 31.03 C ATOM 929 C GLN A 61 7.220 0.938 4.719 1.00 40.34 C ATOM 930 O GLN A 61 8.391 0.564 4.655 1.00 23.54 O ATOM 931 CB GLN A 61 6.411 0.345 7.010 1.00 24.24 C ATOM 932 CG GLN A 61 5.548 -0.555 7.880 1.00 20.11 C ATOM 933 CD GLN A 61 6.367 -1.446 8.793 1.00 42.50 C ATOM 934 OE1 GLN A 61 6.256 -1.372 10.016 1.00 54.35 O ATOM 935 NE2 GLN A 61 7.196 -2.298 8.199 1.00 41.40 N ATOM 0 H GLN A 61 7.157 -1.708 5.342 1.00 33.14 H new ATOM 0 HA GLN A 61 5.194 0.510 5.246 1.00 31.03 H new ATOM 0 HB2 GLN A 61 7.460 0.161 7.240 1.00 24.24 H new ATOM 0 HB3 GLN A 61 6.207 1.385 7.263 1.00 24.24 H new ATOM 0 HG2 GLN A 61 4.881 0.061 8.483 1.00 20.11 H new ATOM 0 HG3 GLN A 61 4.919 -1.176 7.242 1.00 20.11 H new ATOM 0 HE21 GLN A 61 7.256 -2.325 7.181 1.00 41.40 H new ATOM 0 HE22 GLN A 61 7.772 -2.924 8.761 1.00 41.40 H new ATOM 942 N VAL A 62 6.778 2.037 4.115 1.00 10.33 N ATOM 943 CA VAL A 62 7.666 2.885 3.327 1.00 64.31 C ATOM 944 C VAL A 62 7.874 4.236 4.000 1.00 15.44 C ATOM 945 O VAL A 62 6.915 4.954 4.286 1.00 1.22 O ATOM 946 CB VAL A 62 7.111 3.110 1.907 1.00 11.54 C ATOM 947 CG1 VAL A 62 8.160 3.769 1.023 1.00 34.02 C ATOM 948 CG2 VAL A 62 6.644 1.795 1.303 1.00 24.52 C ATOM 0 H VAL A 62 5.812 2.361 4.156 1.00 10.33 H new ATOM 0 HA VAL A 62 8.622 2.366 3.258 1.00 64.31 H new ATOM 0 HB VAL A 62 6.252 3.778 1.973 1.00 11.54 H new ATOM 0 HG11 VAL A 62 7.751 3.920 0.024 1.00 34.02 H new ATOM 0 HG12 VAL A 62 8.442 4.732 1.449 1.00 34.02 H new ATOM 0 HG13 VAL A 62 9.039 3.128 0.962 1.00 34.02 H new ATOM 0 HG21 VAL A 62 6.255 1.973 0.300 1.00 24.52 H new ATOM 0 HG22 VAL A 62 7.483 1.101 1.249 1.00 24.52 H new ATOM 0 HG23 VAL A 62 5.859 1.367 1.926 1.00 24.52 H new ATOM 958 N ASP A 63 9.134 4.578 4.250 1.00 51.42 N ATOM 959 CA ASP A 63 9.469 5.845 4.888 1.00 53.01 C ATOM 960 C ASP A 63 10.159 6.785 3.903 1.00 24.21 C ATOM 961 O ASP A 63 11.173 6.432 3.298 1.00 33.31 O ATOM 962 CB ASP A 63 10.371 5.607 6.100 1.00 20.11 C ATOM 963 CG ASP A 63 10.823 6.901 6.748 1.00 34.13 C ATOM 964 OD1 ASP A 63 10.022 7.502 7.494 1.00 50.52 O ATOM 965 OD2 ASP A 63 11.979 7.312 6.511 1.00 61.13 O ATOM 0 H ASP A 63 9.939 3.995 4.020 1.00 51.42 H new ATOM 0 HA ASP A 63 8.542 6.312 5.220 1.00 53.01 H new ATOM 0 HB2 ASP A 63 9.837 5.004 6.834 1.00 20.11 H new ATOM 0 HB3 ASP A 63 11.245 5.034 5.792 1.00 20.11 H new ATOM 969 N LEU A 64 9.601 7.980 3.744 1.00 21.33 N ATOM 970 CA LEU A 64 10.161 8.970 2.832 1.00 44.41 C ATOM 971 C LEU A 64 10.861 10.087 3.601 1.00 64.23 C ATOM 972 O LEU A 64 12.054 10.325 3.420 1.00 60.50 O ATOM 973 CB LEU A 64 9.060 9.558 1.947 1.00 5.14 C ATOM 974 CG LEU A 64 8.696 8.748 0.702 1.00 43.50 C ATOM 975 CD1 LEU A 64 8.253 7.345 1.087 1.00 41.52 C ATOM 976 CD2 LEU A 64 7.608 9.454 -0.094 1.00 10.00 C ATOM 0 H LEU A 64 8.761 8.286 4.235 1.00 21.33 H new ATOM 0 HA LEU A 64 10.898 8.471 2.203 1.00 44.41 H new ATOM 0 HB2 LEU A 64 8.162 9.680 2.552 1.00 5.14 H new ATOM 0 HB3 LEU A 64 9.369 10.554 1.630 1.00 5.14 H new ATOM 0 HG LEU A 64 9.583 8.666 0.074 1.00 43.50 H new ATOM 0 HD11 LEU A 64 7.998 6.784 0.188 1.00 41.52 H new ATOM 0 HD12 LEU A 64 9.063 6.839 1.613 1.00 41.52 H new ATOM 0 HD13 LEU A 64 7.380 7.405 1.737 1.00 41.52 H new ATOM 0 HD21 LEU A 64 7.362 8.863 -0.976 1.00 10.00 H new ATOM 0 HD22 LEU A 64 6.719 9.568 0.526 1.00 10.00 H new ATOM 0 HD23 LEU A 64 7.963 10.437 -0.403 1.00 10.00 H new ATOM 987 N GLY A 65 10.109 10.767 4.461 1.00 71.41 N ATOM 988 CA GLY A 65 10.674 11.848 5.247 1.00 14.45 C ATOM 989 C GLY A 65 11.005 13.065 4.405 1.00 25.33 C ATOM 990 O GLY A 65 11.603 14.024 4.894 1.00 62.00 O ATOM 0 H GLY A 65 9.119 10.588 4.627 1.00 71.41 H new ATOM 0 HA2 GLY A 65 9.969 12.132 6.029 1.00 14.45 H new ATOM 0 HA3 GLY A 65 11.578 11.497 5.745 1.00 14.45 H new ATOM 994 N THR A 66 10.615 13.027 3.134 1.00 31.35 N ATOM 995 CA THR A 66 10.876 14.133 2.222 1.00 55.13 C ATOM 996 C THR A 66 9.597 14.902 1.911 1.00 51.42 C ATOM 997 O THR A 66 9.632 15.938 1.248 1.00 55.13 O ATOM 998 CB THR A 66 11.498 13.639 0.902 1.00 22.15 C ATOM 999 OG1 THR A 66 11.715 14.743 0.019 1.00 11.40 O ATOM 1000 CG2 THR A 66 10.598 12.613 0.231 1.00 43.42 C ATOM 0 H THR A 66 10.117 12.242 2.714 1.00 31.35 H new ATOM 0 HA THR A 66 11.583 14.795 2.722 1.00 55.13 H new ATOM 0 HB THR A 66 12.453 13.166 1.130 1.00 22.15 H new ATOM 0 HG1 THR A 66 11.019 15.418 0.162 1.00 11.40 H new ATOM 0 HG21 THR A 66 11.058 12.279 -0.699 1.00 43.42 H new ATOM 0 HG22 THR A 66 10.461 11.760 0.895 1.00 43.42 H new ATOM 0 HG23 THR A 66 9.630 13.064 0.015 1.00 43.42 H new ATOM 1008 N GLN A 67 8.471 14.388 2.394 1.00 45.10 N ATOM 1009 CA GLN A 67 7.181 15.028 2.166 1.00 64.03 C ATOM 1010 C GLN A 67 6.973 15.323 0.683 1.00 35.11 C ATOM 1011 O GLN A 67 7.191 16.446 0.229 1.00 71.15 O ATOM 1012 CB GLN A 67 7.080 16.322 2.975 1.00 60.02 C ATOM 1013 CG GLN A 67 5.660 16.666 3.397 1.00 14.23 C ATOM 1014 CD GLN A 67 5.598 17.297 4.774 1.00 51.41 C ATOM 1015 OE1 GLN A 67 6.397 16.975 5.654 1.00 31.52 O ATOM 1016 NE2 GLN A 67 4.645 18.203 4.968 1.00 2.04 N ATOM 0 H GLN A 67 8.426 13.531 2.945 1.00 45.10 H new ATOM 0 HA GLN A 67 6.400 14.341 2.493 1.00 64.03 H new ATOM 0 HB2 GLN A 67 7.703 16.234 3.865 1.00 60.02 H new ATOM 0 HB3 GLN A 67 7.483 17.143 2.383 1.00 60.02 H new ATOM 0 HG2 GLN A 67 5.224 17.349 2.668 1.00 14.23 H new ATOM 0 HG3 GLN A 67 5.053 15.761 3.388 1.00 14.23 H new ATOM 0 HE21 GLN A 67 4.004 18.439 4.210 1.00 2.04 H new ATOM 0 HE22 GLN A 67 4.554 18.662 5.874 1.00 2.04 H new ATOM 1023 N ARG A 68 6.554 14.308 -0.064 1.00 72.43 N ATOM 1024 CA ARG A 68 6.318 14.459 -1.495 1.00 21.14 C ATOM 1025 C ARG A 68 4.846 14.241 -1.830 1.00 63.53 C ATOM 1026 O ARG A 68 4.163 13.450 -1.181 1.00 71.25 O ATOM 1027 CB ARG A 68 7.183 13.473 -2.282 1.00 33.22 C ATOM 1028 CG ARG A 68 8.640 13.892 -2.390 1.00 31.45 C ATOM 1029 CD ARG A 68 8.832 14.979 -3.435 1.00 60.00 C ATOM 1030 NE ARG A 68 10.219 15.429 -3.510 1.00 41.04 N ATOM 1031 CZ ARG A 68 11.204 14.692 -4.012 1.00 13.33 C ATOM 1032 NH1 ARG A 68 10.956 13.477 -4.481 1.00 73.34 N ATOM 1033 NH2 ARG A 68 12.442 15.171 -4.046 1.00 61.51 N ATOM 0 H ARG A 68 6.371 13.372 0.297 1.00 72.43 H new ATOM 0 HA ARG A 68 6.589 15.476 -1.777 1.00 21.14 H new ATOM 0 HB2 ARG A 68 7.130 12.495 -1.804 1.00 33.22 H new ATOM 0 HB3 ARG A 68 6.771 13.361 -3.285 1.00 33.22 H new ATOM 0 HG2 ARG A 68 8.989 14.251 -1.422 1.00 31.45 H new ATOM 0 HG3 ARG A 68 9.250 13.026 -2.648 1.00 31.45 H new ATOM 0 HD2 ARG A 68 8.520 14.604 -4.410 1.00 60.00 H new ATOM 0 HD3 ARG A 68 8.189 15.826 -3.199 1.00 60.00 H new ATOM 0 HE ARG A 68 10.444 16.360 -3.158 1.00 41.04 H new ATOM 0 HH11 ARG A 68 10.006 13.105 -4.457 1.00 73.34 H new ATOM 0 HH12 ARG A 68 11.715 12.914 -4.866 1.00 73.34 H new ATOM 0 HH21 ARG A 68 12.637 16.105 -3.687 1.00 61.51 H new ATOM 0 HH22 ARG A 68 13.198 14.605 -4.432 1.00 61.51 H new ATOM 1044 N GLN A 69 4.365 14.948 -2.848 1.00 34.22 N ATOM 1045 CA GLN A 69 2.974 14.832 -3.267 1.00 63.10 C ATOM 1046 C GLN A 69 2.805 13.711 -4.287 1.00 43.14 C ATOM 1047 O GLN A 69 3.372 13.759 -5.378 1.00 23.14 O ATOM 1048 CB GLN A 69 2.486 16.155 -3.861 1.00 61.32 C ATOM 1049 CG GLN A 69 1.344 15.993 -4.851 1.00 10.44 C ATOM 1050 CD GLN A 69 0.627 17.299 -5.135 1.00 32.44 C ATOM 1051 OE1 GLN A 69 0.033 17.901 -4.239 1.00 21.31 O ATOM 1052 NE2 GLN A 69 0.680 17.745 -6.384 1.00 23.22 N ATOM 0 H GLN A 69 4.918 15.606 -3.397 1.00 34.22 H new ATOM 0 HA GLN A 69 2.375 14.593 -2.388 1.00 63.10 H new ATOM 0 HB2 GLN A 69 2.164 16.810 -3.052 1.00 61.32 H new ATOM 0 HB3 GLN A 69 3.320 16.650 -4.359 1.00 61.32 H new ATOM 0 HG2 GLN A 69 1.733 15.586 -5.784 1.00 10.44 H new ATOM 0 HG3 GLN A 69 0.630 15.268 -4.460 1.00 10.44 H new ATOM 0 HE21 GLN A 69 1.184 17.214 -7.094 1.00 23.22 H new ATOM 0 HE22 GLN A 69 0.217 18.619 -6.633 1.00 23.22 H new ATOM 1059 N VAL A 70 2.020 12.701 -3.924 1.00 31.11 N ATOM 1060 CA VAL A 70 1.775 11.567 -4.807 1.00 45.45 C ATOM 1061 C VAL A 70 0.673 11.881 -5.813 1.00 52.13 C ATOM 1062 O VAL A 70 -0.318 12.534 -5.482 1.00 62.30 O ATOM 1063 CB VAL A 70 1.383 10.308 -4.010 1.00 40.41 C ATOM 1064 CG1 VAL A 70 2.492 9.924 -3.042 1.00 24.40 C ATOM 1065 CG2 VAL A 70 0.073 10.533 -3.271 1.00 40.32 C ATOM 0 H VAL A 70 1.543 12.645 -3.024 1.00 31.11 H new ATOM 0 HA VAL A 70 2.706 11.375 -5.340 1.00 45.45 H new ATOM 0 HB VAL A 70 1.242 9.484 -4.709 1.00 40.41 H new ATOM 0 HG11 VAL A 70 2.198 9.033 -2.487 1.00 24.40 H new ATOM 0 HG12 VAL A 70 3.407 9.720 -3.599 1.00 24.40 H new ATOM 0 HG13 VAL A 70 2.667 10.744 -2.345 1.00 24.40 H new ATOM 0 HG21 VAL A 70 -0.189 9.634 -2.713 1.00 40.32 H new ATOM 0 HG22 VAL A 70 0.184 11.369 -2.580 1.00 40.32 H new ATOM 0 HG23 VAL A 70 -0.716 10.757 -3.989 1.00 40.32 H new ATOM 1075 N THR A 71 0.852 11.414 -7.044 1.00 43.12 N ATOM 1076 CA THR A 71 -0.127 11.644 -8.100 1.00 54.31 C ATOM 1077 C THR A 71 -0.575 10.332 -8.731 1.00 72.31 C ATOM 1078 O THR A 71 -1.195 10.323 -9.793 1.00 62.11 O ATOM 1079 CB THR A 71 0.440 12.563 -9.199 1.00 43.31 C ATOM 1080 OG1 THR A 71 1.633 13.204 -8.735 1.00 53.14 O ATOM 1081 CG2 THR A 71 -0.582 13.614 -9.605 1.00 5.52 C ATOM 0 H THR A 71 1.667 10.874 -7.335 1.00 43.12 H new ATOM 0 HA THR A 71 -0.985 12.130 -7.636 1.00 54.31 H new ATOM 0 HB THR A 71 0.673 11.950 -10.070 1.00 43.31 H new ATOM 0 HG1 THR A 71 1.424 14.118 -8.449 1.00 53.14 H new ATOM 0 HG21 THR A 71 -0.160 14.251 -10.382 1.00 5.52 H new ATOM 0 HG22 THR A 71 -1.477 13.123 -9.986 1.00 5.52 H new ATOM 0 HG23 THR A 71 -0.842 14.222 -8.739 1.00 5.52 H new ATOM 1089 N GLY A 72 -0.257 9.223 -8.069 1.00 52.12 N ATOM 1090 CA GLY A 72 -0.637 7.919 -8.581 1.00 53.23 C ATOM 1091 C GLY A 72 0.325 6.827 -8.156 1.00 50.24 C ATOM 1092 O GLY A 72 1.532 7.053 -8.071 1.00 41.11 O ATOM 0 H GLY A 72 0.257 9.205 -7.188 1.00 52.12 H new ATOM 0 HA2 GLY A 72 -1.639 7.673 -8.231 1.00 53.23 H new ATOM 0 HA3 GLY A 72 -0.680 7.958 -9.669 1.00 53.23 H new ATOM 1096 N ILE A 73 -0.211 5.642 -7.886 1.00 30.31 N ATOM 1097 CA ILE A 73 0.608 4.512 -7.466 1.00 22.21 C ATOM 1098 C ILE A 73 0.402 3.312 -8.386 1.00 13.45 C ATOM 1099 O ILE A 73 -0.668 3.142 -8.971 1.00 55.12 O ATOM 1100 CB ILE A 73 0.292 4.094 -6.018 1.00 62.13 C ATOM 1101 CG1 ILE A 73 -1.219 3.943 -5.826 1.00 23.22 C ATOM 1102 CG2 ILE A 73 0.856 5.111 -5.038 1.00 41.13 C ATOM 1103 CD1 ILE A 73 -1.602 2.784 -4.933 1.00 21.22 C ATOM 0 H ILE A 73 -1.209 5.439 -7.951 1.00 30.31 H new ATOM 0 HA ILE A 73 1.647 4.837 -7.523 1.00 22.21 H new ATOM 0 HB ILE A 73 0.763 3.130 -5.823 1.00 62.13 H new ATOM 0 HG12 ILE A 73 -1.617 4.865 -5.402 1.00 23.22 H new ATOM 0 HG13 ILE A 73 -1.689 3.811 -6.800 1.00 23.22 H new ATOM 0 HG21 ILE A 73 0.624 4.801 -4.019 1.00 41.13 H new ATOM 0 HG22 ILE A 73 1.937 5.174 -5.161 1.00 41.13 H new ATOM 0 HG23 ILE A 73 0.411 6.087 -5.231 1.00 41.13 H new ATOM 0 HD11 ILE A 73 -2.687 2.738 -4.842 1.00 21.22 H new ATOM 0 HD12 ILE A 73 -1.234 1.854 -5.366 1.00 21.22 H new ATOM 0 HD13 ILE A 73 -1.161 2.924 -3.946 1.00 21.22 H new ATOM 1114 N ILE A 74 1.433 2.483 -8.507 1.00 33.32 N ATOM 1115 CA ILE A 74 1.365 1.298 -9.353 1.00 31.12 C ATOM 1116 C ILE A 74 1.908 0.072 -8.627 1.00 35.30 C ATOM 1117 O ILE A 74 2.936 0.140 -7.951 1.00 74.32 O ATOM 1118 CB ILE A 74 2.152 1.495 -10.662 1.00 61.34 C ATOM 1119 CG1 ILE A 74 1.743 0.439 -11.692 1.00 14.12 C ATOM 1120 CG2 ILE A 74 3.647 1.432 -10.396 1.00 12.24 C ATOM 1121 CD1 ILE A 74 0.838 0.974 -12.779 1.00 51.13 C ATOM 0 H ILE A 74 2.326 2.610 -8.030 1.00 33.32 H new ATOM 0 HA ILE A 74 0.313 1.140 -9.591 1.00 31.12 H new ATOM 0 HB ILE A 74 1.917 2.480 -11.066 1.00 61.34 H new ATOM 0 HG12 ILE A 74 2.640 0.023 -12.150 1.00 14.12 H new ATOM 0 HG13 ILE A 74 1.238 -0.380 -11.180 1.00 14.12 H new ATOM 0 HG21 ILE A 74 4.189 1.573 -11.331 1.00 12.24 H new ATOM 0 HG22 ILE A 74 3.925 2.218 -9.693 1.00 12.24 H new ATOM 0 HG23 ILE A 74 3.901 0.460 -9.973 1.00 12.24 H new ATOM 0 HD11 ILE A 74 0.589 0.171 -13.473 1.00 51.13 H new ATOM 0 HD12 ILE A 74 -0.076 1.364 -12.332 1.00 51.13 H new ATOM 0 HD13 ILE A 74 1.348 1.773 -13.317 1.00 51.13 H new ATOM 1132 N THR A 75 1.211 -1.051 -8.770 1.00 51.30 N ATOM 1133 CA THR A 75 1.623 -2.293 -8.129 1.00 61.13 C ATOM 1134 C THR A 75 1.675 -3.439 -9.132 1.00 45.13 C ATOM 1135 O THR A 75 0.925 -3.455 -10.108 1.00 2.22 O ATOM 1136 CB THR A 75 0.670 -2.675 -6.980 1.00 35.01 C ATOM 1137 OG1 THR A 75 1.379 -3.419 -5.983 1.00 13.31 O ATOM 1138 CG2 THR A 75 -0.500 -3.497 -7.497 1.00 10.11 C ATOM 0 H THR A 75 0.358 -1.125 -9.324 1.00 51.30 H new ATOM 0 HA THR A 75 2.620 -2.123 -7.724 1.00 61.13 H new ATOM 0 HB THR A 75 0.281 -1.757 -6.540 1.00 35.01 H new ATOM 0 HG1 THR A 75 2.340 -3.390 -6.175 1.00 13.31 H new ATOM 0 HG21 THR A 75 -1.159 -3.754 -6.667 1.00 10.11 H new ATOM 0 HG22 THR A 75 -1.055 -2.917 -8.234 1.00 10.11 H new ATOM 0 HG23 THR A 75 -0.127 -4.410 -7.961 1.00 10.11 H new ATOM 1146 N GLN A 76 2.563 -4.397 -8.885 1.00 50.43 N ATOM 1147 CA GLN A 76 2.712 -5.547 -9.769 1.00 62.31 C ATOM 1148 C GLN A 76 2.913 -6.828 -8.965 1.00 51.25 C ATOM 1149 O GLN A 76 3.333 -6.788 -7.810 1.00 5.40 O ATOM 1150 CB GLN A 76 3.890 -5.337 -10.720 1.00 2.32 C ATOM 1151 CG GLN A 76 3.471 -4.998 -12.142 1.00 11.34 C ATOM 1152 CD GLN A 76 3.599 -6.177 -13.085 1.00 24.33 C ATOM 1153 OE1 GLN A 76 2.649 -6.532 -13.785 1.00 24.02 O ATOM 1154 NE2 GLN A 76 4.775 -6.793 -13.110 1.00 75.21 N ATOM 0 H GLN A 76 3.190 -4.399 -8.080 1.00 50.43 H new ATOM 0 HA GLN A 76 1.797 -5.646 -10.353 1.00 62.31 H new ATOM 0 HB2 GLN A 76 4.519 -4.535 -10.334 1.00 2.32 H new ATOM 0 HB3 GLN A 76 4.499 -6.241 -10.735 1.00 2.32 H new ATOM 0 HG2 GLN A 76 2.438 -4.651 -12.139 1.00 11.34 H new ATOM 0 HG3 GLN A 76 4.083 -4.175 -12.511 1.00 11.34 H new ATOM 0 HE21 GLN A 76 5.535 -6.466 -12.514 1.00 75.21 H new ATOM 0 HE22 GLN A 76 4.918 -7.593 -13.726 1.00 75.21 H new ATOM 1161 N GLY A 77 2.609 -7.964 -9.586 1.00 22.00 N ATOM 1162 CA GLY A 77 2.763 -9.241 -8.914 1.00 51.55 C ATOM 1163 C GLY A 77 3.935 -10.040 -9.448 1.00 34.35 C ATOM 1164 O GLY A 77 4.510 -9.696 -10.480 1.00 11.14 O ATOM 0 H GLY A 77 2.259 -8.022 -10.542 1.00 22.00 H new ATOM 0 HA2 GLY A 77 2.899 -9.072 -7.846 1.00 51.55 H new ATOM 0 HA3 GLY A 77 1.848 -9.822 -9.030 1.00 51.55 H new ATOM 1168 N ALA A 78 4.291 -11.108 -8.743 1.00 31.21 N ATOM 1169 CA ALA A 78 5.402 -11.959 -9.152 1.00 55.34 C ATOM 1170 C ALA A 78 4.979 -13.422 -9.215 1.00 14.33 C ATOM 1171 O ALA A 78 3.847 -13.765 -8.876 1.00 23.42 O ATOM 1172 CB ALA A 78 6.577 -11.787 -8.200 1.00 72.42 C ATOM 0 H ALA A 78 3.826 -11.405 -7.885 1.00 31.21 H new ATOM 0 HA ALA A 78 5.711 -11.655 -10.152 1.00 55.34 H new ATOM 0 HB1 ALA A 78 7.399 -12.428 -8.517 1.00 72.42 H new ATOM 0 HB2 ALA A 78 6.903 -10.747 -8.209 1.00 72.42 H new ATOM 0 HB3 ALA A 78 6.271 -12.062 -7.191 1.00 72.42 H new ATOM 1178 N ARG A 79 5.896 -14.280 -9.651 1.00 22.11 N ATOM 1179 CA ARG A 79 5.617 -15.707 -9.760 1.00 72.21 C ATOM 1180 C ARG A 79 6.782 -16.531 -9.223 1.00 33.35 C ATOM 1181 O ARG A 79 7.934 -16.100 -9.270 1.00 32.15 O ATOM 1182 CB ARG A 79 5.341 -16.084 -11.216 1.00 45.42 C ATOM 1183 CG ARG A 79 6.425 -15.630 -12.180 1.00 35.20 C ATOM 1184 CD ARG A 79 5.965 -15.732 -13.626 1.00 13.23 C ATOM 1185 NE ARG A 79 6.951 -15.184 -14.554 1.00 73.44 N ATOM 1186 CZ ARG A 79 6.836 -15.257 -15.875 1.00 1.22 C ATOM 1187 NH1 ARG A 79 5.785 -15.853 -16.421 1.00 75.34 N ATOM 1188 NH2 ARG A 79 7.774 -14.734 -16.654 1.00 22.32 N ATOM 0 H ARG A 79 6.838 -14.012 -9.934 1.00 22.11 H new ATOM 0 HA ARG A 79 4.733 -15.926 -9.161 1.00 72.21 H new ATOM 0 HB2 ARG A 79 5.233 -17.166 -11.288 1.00 45.42 H new ATOM 0 HB3 ARG A 79 4.390 -15.648 -11.521 1.00 45.42 H new ATOM 0 HG2 ARG A 79 6.703 -14.600 -11.957 1.00 35.20 H new ATOM 0 HG3 ARG A 79 7.318 -16.239 -12.038 1.00 35.20 H new ATOM 0 HD2 ARG A 79 5.776 -16.777 -13.873 1.00 13.23 H new ATOM 0 HD3 ARG A 79 5.021 -15.200 -13.744 1.00 13.23 H new ATOM 0 HE ARG A 79 7.772 -14.720 -14.166 1.00 73.44 H new ATOM 0 HH11 ARG A 79 5.062 -16.257 -15.826 1.00 75.34 H new ATOM 0 HH12 ARG A 79 5.700 -15.907 -17.436 1.00 75.34 H new ATOM 0 HH21 ARG A 79 8.585 -14.275 -16.238 1.00 22.32 H new ATOM 0 HH22 ARG A 79 7.684 -14.791 -17.668 1.00 22.32 H new ATOM 1199 N ASP A 80 6.474 -17.718 -8.711 1.00 11.01 N ATOM 1200 CA ASP A 80 7.496 -18.604 -8.164 1.00 14.31 C ATOM 1201 C ASP A 80 8.123 -19.455 -9.264 1.00 55.44 C ATOM 1202 O ASP A 80 7.935 -20.671 -9.306 1.00 2.03 O ATOM 1203 CB ASP A 80 6.896 -19.505 -7.085 1.00 64.54 C ATOM 1204 CG ASP A 80 7.912 -20.466 -6.502 1.00 71.53 C ATOM 1205 OD1 ASP A 80 8.750 -20.023 -5.687 1.00 42.43 O ATOM 1206 OD2 ASP A 80 7.870 -21.662 -6.858 1.00 23.31 O ATOM 0 H ASP A 80 5.525 -18.089 -8.663 1.00 11.01 H new ATOM 0 HA ASP A 80 8.276 -17.987 -7.718 1.00 14.31 H new ATOM 0 HB2 ASP A 80 6.485 -18.887 -6.287 1.00 64.54 H new ATOM 0 HB3 ASP A 80 6.066 -20.071 -7.509 1.00 64.54 H new ATOM 1210 N PHE A 81 8.867 -18.808 -10.155 1.00 53.20 N ATOM 1211 CA PHE A 81 9.519 -19.504 -11.257 1.00 23.34 C ATOM 1212 C PHE A 81 8.490 -20.153 -12.176 1.00 63.32 C ATOM 1213 O PHE A 81 8.781 -21.133 -12.861 1.00 34.42 O ATOM 1214 CB PHE A 81 10.481 -20.566 -10.719 1.00 64.03 C ATOM 1215 CG PHE A 81 11.381 -20.062 -9.628 1.00 21.25 C ATOM 1216 CD1 PHE A 81 12.613 -19.503 -9.931 1.00 4.40 C ATOM 1217 CD2 PHE A 81 10.998 -20.146 -8.299 1.00 42.33 C ATOM 1218 CE1 PHE A 81 13.445 -19.040 -8.930 1.00 51.44 C ATOM 1219 CE2 PHE A 81 11.824 -19.683 -7.293 1.00 0.43 C ATOM 1220 CZ PHE A 81 13.049 -19.128 -7.610 1.00 33.24 C ATOM 0 H PHE A 81 9.033 -17.802 -10.135 1.00 53.20 H new ATOM 0 HA PHE A 81 10.083 -18.771 -11.834 1.00 23.34 H new ATOM 0 HB2 PHE A 81 9.904 -21.410 -10.342 1.00 64.03 H new ATOM 0 HB3 PHE A 81 11.093 -20.940 -11.540 1.00 64.03 H new ATOM 0 HD1 PHE A 81 12.926 -19.429 -10.962 1.00 4.40 H new ATOM 0 HD2 PHE A 81 10.041 -20.579 -8.046 1.00 42.33 H new ATOM 0 HE1 PHE A 81 14.404 -18.610 -9.179 1.00 51.44 H new ATOM 0 HE2 PHE A 81 11.513 -19.755 -6.261 1.00 0.43 H new ATOM 0 HZ PHE A 81 13.696 -18.763 -6.826 1.00 33.24 H new ATOM 1229 N GLY A 82 7.281 -19.599 -12.185 1.00 44.14 N ATOM 1230 CA GLY A 82 6.224 -20.137 -13.023 1.00 12.05 C ATOM 1231 C GLY A 82 4.850 -19.959 -12.409 1.00 23.45 C ATOM 1232 O GLY A 82 3.929 -19.470 -13.063 1.00 62.43 O ATOM 0 H GLY A 82 7.015 -18.788 -11.627 1.00 44.14 H new ATOM 0 HA2 GLY A 82 6.250 -19.646 -13.996 1.00 12.05 H new ATOM 0 HA3 GLY A 82 6.406 -21.198 -13.196 1.00 12.05 H new ATOM 1236 N HIS A 83 4.710 -20.359 -11.149 1.00 14.43 N ATOM 1237 CA HIS A 83 3.437 -20.242 -10.446 1.00 1.43 C ATOM 1238 C HIS A 83 3.114 -18.781 -10.148 1.00 23.13 C ATOM 1239 O HIS A 83 3.858 -18.103 -9.439 1.00 11.13 O ATOM 1240 CB HIS A 83 3.473 -21.045 -9.145 1.00 3.55 C ATOM 1241 CG HIS A 83 3.685 -22.513 -9.353 1.00 72.03 C ATOM 1242 ND1 HIS A 83 4.848 -23.164 -8.997 1.00 3.41 N ATOM 1243 CD2 HIS A 83 2.873 -23.458 -9.881 1.00 64.10 C ATOM 1244 CE1 HIS A 83 4.743 -24.445 -9.300 1.00 61.52 C ATOM 1245 NE2 HIS A 83 3.554 -24.650 -9.837 1.00 44.43 N ATOM 0 H HIS A 83 5.462 -20.767 -10.594 1.00 14.43 H new ATOM 0 HA HIS A 83 2.655 -20.644 -11.090 1.00 1.43 H new ATOM 0 HB2 HIS A 83 4.270 -20.657 -8.510 1.00 3.55 H new ATOM 0 HB3 HIS A 83 2.536 -20.894 -8.608 1.00 3.55 H new ATOM 0 HD2 HIS A 83 1.876 -23.304 -10.265 1.00 64.10 H new ATOM 0 HE1 HIS A 83 5.501 -25.197 -9.136 1.00 61.52 H new ATOM 0 HE2 HIS A 83 3.199 -25.548 -10.166 1.00 44.43 H new ATOM 1252 N ILE A 84 2.001 -18.304 -10.693 1.00 44.42 N ATOM 1253 CA ILE A 84 1.579 -16.924 -10.485 1.00 2.21 C ATOM 1254 C ILE A 84 1.151 -16.693 -9.040 1.00 30.41 C ATOM 1255 O ILE A 84 0.192 -17.298 -8.562 1.00 71.43 O ATOM 1256 CB ILE A 84 0.416 -16.544 -11.420 1.00 73.40 C ATOM 1257 CG1 ILE A 84 0.869 -16.598 -12.881 1.00 74.41 C ATOM 1258 CG2 ILE A 84 -0.111 -15.159 -11.074 1.00 53.02 C ATOM 1259 CD1 ILE A 84 -0.275 -16.702 -13.864 1.00 62.33 C ATOM 0 H ILE A 84 1.375 -18.852 -11.282 1.00 44.42 H new ATOM 0 HA ILE A 84 2.438 -16.293 -10.713 1.00 2.21 H new ATOM 0 HB ILE A 84 -0.391 -17.263 -11.283 1.00 73.40 H new ATOM 0 HG12 ILE A 84 1.451 -15.704 -13.106 1.00 74.41 H new ATOM 0 HG13 ILE A 84 1.532 -17.452 -13.016 1.00 74.41 H new ATOM 0 HG21 ILE A 84 -0.933 -14.905 -11.744 1.00 53.02 H new ATOM 0 HG22 ILE A 84 -0.467 -15.152 -10.044 1.00 53.02 H new ATOM 0 HG23 ILE A 84 0.689 -14.427 -11.187 1.00 53.02 H new ATOM 0 HD11 ILE A 84 0.120 -16.736 -14.879 1.00 62.33 H new ATOM 0 HD12 ILE A 84 -0.844 -17.610 -13.665 1.00 62.33 H new ATOM 0 HD13 ILE A 84 -0.927 -15.835 -13.757 1.00 62.33 H new ATOM 1270 N GLN A 85 1.868 -15.812 -8.350 1.00 52.34 N ATOM 1271 CA GLN A 85 1.561 -15.499 -6.959 1.00 1.32 C ATOM 1272 C GLN A 85 1.246 -14.017 -6.791 1.00 2.50 C ATOM 1273 O GLN A 85 1.768 -13.173 -7.521 1.00 22.23 O ATOM 1274 CB GLN A 85 2.734 -15.888 -6.057 1.00 61.44 C ATOM 1275 CG GLN A 85 3.401 -17.195 -6.455 1.00 65.45 C ATOM 1276 CD GLN A 85 4.384 -17.690 -5.413 1.00 21.41 C ATOM 1277 OE1 GLN A 85 4.334 -18.848 -4.996 1.00 35.30 O ATOM 1278 NE2 GLN A 85 5.285 -16.814 -4.985 1.00 32.51 N ATOM 0 H GLN A 85 2.665 -15.302 -8.731 1.00 52.34 H new ATOM 0 HA GLN A 85 0.681 -16.074 -6.669 1.00 1.32 H new ATOM 0 HB2 GLN A 85 3.477 -15.090 -6.077 1.00 61.44 H new ATOM 0 HB3 GLN A 85 2.380 -15.969 -5.029 1.00 61.44 H new ATOM 0 HG2 GLN A 85 2.636 -17.954 -6.617 1.00 65.45 H new ATOM 0 HG3 GLN A 85 3.921 -17.059 -7.403 1.00 65.45 H new ATOM 0 HE21 GLN A 85 5.290 -15.865 -5.358 1.00 32.51 H new ATOM 0 HE22 GLN A 85 5.972 -17.090 -4.284 1.00 32.51 H new ATOM 1285 N TYR A 86 0.388 -13.706 -5.826 1.00 14.32 N ATOM 1286 CA TYR A 86 0.001 -12.324 -5.563 1.00 45.41 C ATOM 1287 C TYR A 86 -0.942 -12.241 -4.367 1.00 42.13 C ATOM 1288 O TYR A 86 -1.579 -13.226 -3.994 1.00 71.02 O ATOM 1289 CB TYR A 86 -0.668 -11.718 -6.798 1.00 13.21 C ATOM 1290 CG TYR A 86 -0.893 -10.225 -6.693 1.00 25.25 C ATOM 1291 CD1 TYR A 86 0.172 -9.336 -6.761 1.00 21.21 C ATOM 1292 CD2 TYR A 86 -2.171 -9.706 -6.528 1.00 21.50 C ATOM 1293 CE1 TYR A 86 -0.029 -7.973 -6.665 1.00 23.11 C ATOM 1294 CE2 TYR A 86 -2.381 -8.344 -6.432 1.00 14.12 C ATOM 1295 CZ TYR A 86 -1.307 -7.482 -6.500 1.00 4.43 C ATOM 1296 OH TYR A 86 -1.511 -6.124 -6.407 1.00 33.54 O ATOM 0 H TYR A 86 -0.053 -14.392 -5.213 1.00 14.32 H new ATOM 0 HA TYR A 86 0.903 -11.757 -5.331 1.00 45.41 H new ATOM 0 HB2 TYR A 86 -0.051 -11.924 -7.673 1.00 13.21 H new ATOM 0 HB3 TYR A 86 -1.626 -12.211 -6.961 1.00 13.21 H new ATOM 0 HD1 TYR A 86 1.174 -9.717 -6.891 1.00 21.21 H new ATOM 0 HD2 TYR A 86 -3.014 -10.378 -6.474 1.00 21.50 H new ATOM 0 HE1 TYR A 86 0.810 -7.295 -6.719 1.00 23.11 H new ATOM 0 HE2 TYR A 86 -3.381 -7.956 -6.304 1.00 14.12 H new ATOM 0 HH TYR A 86 -2.468 -5.944 -6.294 1.00 33.54 H new ATOM 1305 N VAL A 87 -1.027 -11.057 -3.771 1.00 74.01 N ATOM 1306 CA VAL A 87 -1.893 -10.842 -2.618 1.00 72.13 C ATOM 1307 C VAL A 87 -3.246 -10.281 -3.043 1.00 31.22 C ATOM 1308 O VAL A 87 -3.324 -9.422 -3.921 1.00 45.53 O ATOM 1309 CB VAL A 87 -1.249 -9.880 -1.601 1.00 5.45 C ATOM 1310 CG1 VAL A 87 0.266 -9.886 -1.748 1.00 24.55 C ATOM 1311 CG2 VAL A 87 -1.802 -8.474 -1.773 1.00 3.13 C ATOM 0 H VAL A 87 -0.507 -10.231 -4.067 1.00 74.01 H new ATOM 0 HA VAL A 87 -2.037 -11.814 -2.147 1.00 72.13 H new ATOM 0 HB VAL A 87 -1.496 -10.222 -0.596 1.00 5.45 H new ATOM 0 HG11 VAL A 87 0.705 -9.201 -1.022 1.00 24.55 H new ATOM 0 HG12 VAL A 87 0.645 -10.893 -1.572 1.00 24.55 H new ATOM 0 HG13 VAL A 87 0.535 -9.568 -2.755 1.00 24.55 H new ATOM 0 HG21 VAL A 87 -1.336 -7.808 -1.047 1.00 3.13 H new ATOM 0 HG22 VAL A 87 -1.587 -8.119 -2.781 1.00 3.13 H new ATOM 0 HG23 VAL A 87 -2.880 -8.485 -1.615 1.00 3.13 H new ATOM 1321 N ALA A 88 -4.308 -10.771 -2.414 1.00 22.21 N ATOM 1322 CA ALA A 88 -5.658 -10.318 -2.725 1.00 11.00 C ATOM 1323 C ALA A 88 -6.096 -9.205 -1.779 1.00 14.44 C ATOM 1324 O ALA A 88 -6.306 -8.067 -2.198 1.00 44.52 O ATOM 1325 CB ALA A 88 -6.635 -11.482 -2.660 1.00 33.24 C ATOM 0 H ALA A 88 -4.260 -11.483 -1.685 1.00 22.21 H new ATOM 0 HA ALA A 88 -5.654 -9.918 -3.739 1.00 11.00 H new ATOM 0 HB1 ALA A 88 -7.639 -11.128 -2.895 1.00 33.24 H new ATOM 0 HB2 ALA A 88 -6.341 -12.244 -3.382 1.00 33.24 H new ATOM 0 HB3 ALA A 88 -6.626 -11.909 -1.657 1.00 33.24 H new ATOM 1331 N SER A 89 -6.229 -9.540 -0.500 1.00 24.41 N ATOM 1332 CA SER A 89 -6.646 -8.570 0.505 1.00 34.33 C ATOM 1333 C SER A 89 -5.435 -7.911 1.159 1.00 71.41 C ATOM 1334 O SER A 89 -4.494 -8.588 1.573 1.00 75.54 O ATOM 1335 CB SER A 89 -7.509 -9.247 1.571 1.00 75.32 C ATOM 1336 OG SER A 89 -8.573 -8.404 1.978 1.00 50.25 O ATOM 0 H SER A 89 -6.054 -10.476 -0.135 1.00 24.41 H new ATOM 0 HA SER A 89 -7.234 -7.799 0.008 1.00 34.33 H new ATOM 0 HB2 SER A 89 -7.911 -10.181 1.178 1.00 75.32 H new ATOM 0 HB3 SER A 89 -6.893 -9.502 2.433 1.00 75.32 H new ATOM 0 HG SER A 89 -9.110 -8.861 2.658 1.00 50.25 H new ATOM 1341 N TYR A 90 -5.467 -6.586 1.247 1.00 31.03 N ATOM 1342 CA TYR A 90 -4.371 -5.833 1.847 1.00 24.45 C ATOM 1343 C TYR A 90 -4.804 -4.406 2.171 1.00 0.24 C ATOM 1344 O TYR A 90 -5.576 -3.796 1.432 1.00 2.13 O ATOM 1345 CB TYR A 90 -3.164 -5.812 0.908 1.00 65.52 C ATOM 1346 CG TYR A 90 -3.448 -5.161 -0.427 1.00 25.31 C ATOM 1347 CD1 TYR A 90 -4.034 -5.881 -1.462 1.00 40.13 C ATOM 1348 CD2 TYR A 90 -3.131 -3.828 -0.654 1.00 10.35 C ATOM 1349 CE1 TYR A 90 -4.294 -5.291 -2.684 1.00 35.01 C ATOM 1350 CE2 TYR A 90 -3.388 -3.230 -1.872 1.00 41.10 C ATOM 1351 CZ TYR A 90 -3.970 -3.965 -2.884 1.00 32.04 C ATOM 1352 OH TYR A 90 -4.229 -3.374 -4.099 1.00 51.11 O ATOM 0 H TYR A 90 -6.239 -6.011 0.911 1.00 31.03 H new ATOM 0 HA TYR A 90 -4.090 -6.328 2.777 1.00 24.45 H new ATOM 0 HB2 TYR A 90 -2.345 -5.282 1.394 1.00 65.52 H new ATOM 0 HB3 TYR A 90 -2.827 -6.835 0.740 1.00 65.52 H new ATOM 0 HD1 TYR A 90 -4.290 -6.919 -1.308 1.00 40.13 H new ATOM 0 HD2 TYR A 90 -2.676 -3.249 0.136 1.00 10.35 H new ATOM 0 HE1 TYR A 90 -4.748 -5.865 -3.478 1.00 35.01 H new ATOM 0 HE2 TYR A 90 -3.135 -2.192 -2.031 1.00 41.10 H new ATOM 0 HH TYR A 90 -4.171 -2.400 -4.008 1.00 51.11 H new ATOM 1361 N LYS A 91 -4.300 -3.880 3.282 1.00 3.34 N ATOM 1362 CA LYS A 91 -4.629 -2.525 3.706 1.00 43.15 C ATOM 1363 C LYS A 91 -3.423 -1.602 3.566 1.00 23.53 C ATOM 1364 O LYS A 91 -2.449 -1.720 4.312 1.00 65.23 O ATOM 1365 CB LYS A 91 -5.119 -2.526 5.156 1.00 65.15 C ATOM 1366 CG LYS A 91 -6.419 -1.767 5.359 1.00 14.34 C ATOM 1367 CD LYS A 91 -6.165 -0.348 5.843 1.00 64.22 C ATOM 1368 CE LYS A 91 -7.293 0.146 6.736 1.00 24.44 C ATOM 1369 NZ LYS A 91 -6.814 0.464 8.109 1.00 31.42 N ATOM 0 H LYS A 91 -3.661 -4.373 3.906 1.00 3.34 H new ATOM 0 HA LYS A 91 -5.425 -2.153 3.061 1.00 43.15 H new ATOM 0 HB2 LYS A 91 -5.255 -3.557 5.484 1.00 65.15 H new ATOM 0 HB3 LYS A 91 -4.349 -2.088 5.791 1.00 65.15 H new ATOM 0 HG2 LYS A 91 -6.976 -1.739 4.422 1.00 14.34 H new ATOM 0 HG3 LYS A 91 -7.040 -2.294 6.083 1.00 14.34 H new ATOM 0 HD2 LYS A 91 -5.223 -0.312 6.391 1.00 64.22 H new ATOM 0 HD3 LYS A 91 -6.060 0.317 4.986 1.00 64.22 H new ATOM 0 HE2 LYS A 91 -7.744 1.034 6.294 1.00 24.44 H new ATOM 0 HE3 LYS A 91 -8.073 -0.614 6.790 1.00 24.44 H new ATOM 0 HZ1 LYS A 91 -7.429 1.188 8.532 1.00 31.42 H new ATOM 0 HZ2 LYS A 91 -6.838 -0.396 8.693 1.00 31.42 H new ATOM 0 HZ3 LYS A 91 -5.839 0.823 8.062 1.00 31.42 H new ATOM 1379 N VAL A 92 -3.494 -0.683 2.609 1.00 53.10 N ATOM 1380 CA VAL A 92 -2.408 0.262 2.375 1.00 72.43 C ATOM 1381 C VAL A 92 -2.867 1.696 2.613 1.00 13.35 C ATOM 1382 O VAL A 92 -3.758 2.196 1.927 1.00 62.04 O ATOM 1383 CB VAL A 92 -1.858 0.142 0.941 1.00 31.43 C ATOM 1384 CG1 VAL A 92 -2.983 0.267 -0.074 1.00 65.45 C ATOM 1385 CG2 VAL A 92 -0.784 1.190 0.692 1.00 74.55 C ATOM 0 H VAL A 92 -4.292 -0.572 1.983 1.00 53.10 H new ATOM 0 HA VAL A 92 -1.616 0.015 3.082 1.00 72.43 H new ATOM 0 HB VAL A 92 -1.405 -0.843 0.826 1.00 31.43 H new ATOM 0 HG11 VAL A 92 -2.576 0.180 -1.081 1.00 65.45 H new ATOM 0 HG12 VAL A 92 -3.713 -0.525 0.092 1.00 65.45 H new ATOM 0 HG13 VAL A 92 -3.468 1.236 0.038 1.00 65.45 H new ATOM 0 HG21 VAL A 92 -0.407 1.090 -0.326 1.00 74.55 H new ATOM 0 HG22 VAL A 92 -1.209 2.185 0.826 1.00 74.55 H new ATOM 0 HG23 VAL A 92 0.034 1.047 1.398 1.00 74.55 H new ATOM 1395 N ALA A 93 -2.251 2.355 3.589 1.00 53.11 N ATOM 1396 CA ALA A 93 -2.595 3.733 3.916 1.00 50.31 C ATOM 1397 C ALA A 93 -1.371 4.639 3.829 1.00 12.31 C ATOM 1398 O ALA A 93 -0.240 4.192 4.023 1.00 43.42 O ATOM 1399 CB ALA A 93 -3.212 3.809 5.305 1.00 5.53 C ATOM 0 H ALA A 93 -1.511 1.956 4.167 1.00 53.11 H new ATOM 0 HA ALA A 93 -3.326 4.081 3.187 1.00 50.31 H new ATOM 0 HB1 ALA A 93 -3.464 4.844 5.535 1.00 5.53 H new ATOM 0 HB2 ALA A 93 -4.116 3.200 5.335 1.00 5.53 H new ATOM 0 HB3 ALA A 93 -2.499 3.437 6.041 1.00 5.53 H new ATOM 1405 N HIS A 94 -1.604 5.914 3.537 1.00 52.24 N ATOM 1406 CA HIS A 94 -0.520 6.884 3.425 1.00 71.12 C ATOM 1407 C HIS A 94 -0.625 7.946 4.514 1.00 71.13 C ATOM 1408 O HIS A 94 -1.721 8.392 4.856 1.00 33.32 O ATOM 1409 CB HIS A 94 -0.540 7.546 2.046 1.00 32.15 C ATOM 1410 CG HIS A 94 -0.242 6.601 0.924 1.00 61.43 C ATOM 1411 ND1 HIS A 94 0.583 6.924 -0.132 1.00 51.32 N ATOM 1412 CD2 HIS A 94 -0.663 5.335 0.697 1.00 25.33 C ATOM 1413 CE1 HIS A 94 0.656 5.898 -0.962 1.00 33.41 C ATOM 1414 NE2 HIS A 94 -0.091 4.920 -0.481 1.00 42.34 N ATOM 0 H HIS A 94 -2.534 6.300 3.374 1.00 52.24 H new ATOM 0 HA HIS A 94 0.423 6.353 3.551 1.00 71.12 H new ATOM 0 HB2 HIS A 94 -1.520 7.995 1.882 1.00 32.15 H new ATOM 0 HB3 HIS A 94 0.189 8.357 2.031 1.00 32.15 H new ATOM 0 HD2 HIS A 94 -1.326 4.758 1.325 1.00 25.33 H new ATOM 0 HE1 HIS A 94 1.229 5.865 -1.877 1.00 33.41 H new ATOM 0 HE2 HIS A 94 -0.222 4.006 -0.914 1.00 42.34 H new ATOM 1421 N SER A 95 0.520 8.348 5.056 1.00 71.54 N ATOM 1422 CA SER A 95 0.555 9.355 6.111 1.00 42.31 C ATOM 1423 C SER A 95 1.502 10.493 5.743 1.00 1.00 C ATOM 1424 O SER A 95 2.586 10.265 5.205 1.00 62.21 O ATOM 1425 CB SER A 95 0.990 8.722 7.434 1.00 74.20 C ATOM 1426 OG SER A 95 0.592 9.521 8.536 1.00 43.54 O ATOM 0 H SER A 95 1.436 7.992 4.782 1.00 71.54 H new ATOM 0 HA SER A 95 -0.449 9.763 6.224 1.00 42.31 H new ATOM 0 HB2 SER A 95 0.554 7.727 7.526 1.00 74.20 H new ATOM 0 HB3 SER A 95 2.073 8.598 7.443 1.00 74.20 H new ATOM 0 HG SER A 95 -0.195 10.050 8.289 1.00 43.54 H new ATOM 1431 N ASP A 96 1.084 11.719 6.036 1.00 53.04 N ATOM 1432 CA ASP A 96 1.893 12.895 5.737 1.00 75.20 C ATOM 1433 C ASP A 96 2.668 13.348 6.971 1.00 52.51 C ATOM 1434 O ASP A 96 3.852 13.679 6.886 1.00 61.22 O ATOM 1435 CB ASP A 96 1.009 14.035 5.229 1.00 44.31 C ATOM 1436 CG ASP A 96 1.690 15.385 5.327 1.00 54.21 C ATOM 1437 OD1 ASP A 96 2.897 15.465 5.014 1.00 41.21 O ATOM 1438 OD2 ASP A 96 1.017 16.362 5.716 1.00 72.11 O ATOM 0 H ASP A 96 0.189 11.925 6.480 1.00 53.04 H new ATOM 0 HA ASP A 96 2.607 12.626 4.958 1.00 75.20 H new ATOM 0 HB2 ASP A 96 0.736 13.844 4.191 1.00 44.31 H new ATOM 0 HB3 ASP A 96 0.083 14.056 5.804 1.00 44.31 H new ATOM 1442 N ASP A 97 1.994 13.362 8.116 1.00 44.22 N ATOM 1443 CA ASP A 97 2.619 13.775 9.367 1.00 43.12 C ATOM 1444 C ASP A 97 3.134 12.565 10.141 1.00 73.31 C ATOM 1445 O ASP A 97 3.954 12.701 11.049 1.00 64.32 O ATOM 1446 CB ASP A 97 1.625 14.560 10.224 1.00 63.20 C ATOM 1447 CG ASP A 97 1.511 16.009 9.796 1.00 54.10 C ATOM 1448 OD1 ASP A 97 2.477 16.770 10.013 1.00 24.44 O ATOM 1449 OD2 ASP A 97 0.454 16.385 9.246 1.00 4.32 O ATOM 0 H ASP A 97 1.014 13.092 8.203 1.00 44.22 H new ATOM 0 HA ASP A 97 3.466 14.418 9.127 1.00 43.12 H new ATOM 0 HB2 ASP A 97 0.645 14.088 10.163 1.00 63.20 H new ATOM 0 HB3 ASP A 97 1.935 14.516 11.268 1.00 63.20 H new ATOM 1453 N GLY A 98 2.646 11.384 9.778 1.00 5.30 N ATOM 1454 CA GLY A 98 3.067 10.168 10.450 1.00 41.53 C ATOM 1455 C GLY A 98 2.003 9.622 11.381 1.00 11.50 C ATOM 1456 O GLY A 98 1.993 8.432 11.695 1.00 0.42 O ATOM 0 H GLY A 98 1.966 11.247 9.030 1.00 5.30 H new ATOM 0 HA2 GLY A 98 3.316 9.412 9.705 1.00 41.53 H new ATOM 0 HA3 GLY A 98 3.976 10.367 11.018 1.00 41.53 H new ATOM 1460 N VAL A 99 1.103 10.495 11.825 1.00 21.14 N ATOM 1461 CA VAL A 99 0.031 10.094 12.728 1.00 62.13 C ATOM 1462 C VAL A 99 -1.278 9.895 11.971 1.00 11.32 C ATOM 1463 O VAL A 99 -2.084 9.034 12.322 1.00 14.10 O ATOM 1464 CB VAL A 99 -0.186 11.136 13.841 1.00 3.40 C ATOM 1465 CG1 VAL A 99 -0.599 12.474 13.246 1.00 14.41 C ATOM 1466 CG2 VAL A 99 -1.224 10.643 14.837 1.00 54.34 C ATOM 0 H VAL A 99 1.096 11.484 11.574 1.00 21.14 H new ATOM 0 HA VAL A 99 0.334 9.150 13.180 1.00 62.13 H new ATOM 0 HB VAL A 99 0.755 11.277 14.372 1.00 3.40 H new ATOM 0 HG11 VAL A 99 -0.748 13.198 14.047 1.00 14.41 H new ATOM 0 HG12 VAL A 99 0.183 12.831 12.575 1.00 14.41 H new ATOM 0 HG13 VAL A 99 -1.528 12.353 12.689 1.00 14.41 H new ATOM 0 HG21 VAL A 99 -1.365 11.392 15.617 1.00 54.34 H new ATOM 0 HG22 VAL A 99 -2.170 10.473 14.323 1.00 54.34 H new ATOM 0 HG23 VAL A 99 -0.883 9.711 15.287 1.00 54.34 H new ATOM 1476 N GLN A 100 -1.481 10.697 10.930 1.00 32.13 N ATOM 1477 CA GLN A 100 -2.692 10.608 10.124 1.00 40.01 C ATOM 1478 C GLN A 100 -2.526 9.591 9.000 1.00 10.24 C ATOM 1479 O GLN A 100 -1.925 9.886 7.967 1.00 3.33 O ATOM 1480 CB GLN A 100 -3.042 11.978 9.539 1.00 61.51 C ATOM 1481 CG GLN A 100 -3.136 13.079 10.584 1.00 63.01 C ATOM 1482 CD GLN A 100 -3.676 14.377 10.016 1.00 71.34 C ATOM 1483 OE1 GLN A 100 -4.880 14.631 10.056 1.00 44.11 O ATOM 1484 NE2 GLN A 100 -2.786 15.207 9.484 1.00 20.30 N ATOM 0 H GLN A 100 -0.823 11.415 10.626 1.00 32.13 H new ATOM 0 HA GLN A 100 -3.504 10.277 10.771 1.00 40.01 H new ATOM 0 HB2 GLN A 100 -2.288 12.252 8.801 1.00 61.51 H new ATOM 0 HB3 GLN A 100 -3.993 11.907 9.012 1.00 61.51 H new ATOM 0 HG2 GLN A 100 -3.780 12.748 11.399 1.00 63.01 H new ATOM 0 HG3 GLN A 100 -2.148 13.256 11.010 1.00 63.01 H new ATOM 0 HE21 GLN A 100 -1.798 14.956 9.472 1.00 20.30 H new ATOM 0 HE22 GLN A 100 -3.091 16.096 9.087 1.00 20.30 H new ATOM 1491 N TRP A 101 -3.061 8.394 9.209 1.00 21.15 N ATOM 1492 CA TRP A 101 -2.970 7.332 8.213 1.00 30.33 C ATOM 1493 C TRP A 101 -4.223 7.292 7.344 1.00 11.14 C ATOM 1494 O TRP A 101 -5.291 6.877 7.794 1.00 35.24 O ATOM 1495 CB TRP A 101 -2.766 5.978 8.897 1.00 54.12 C ATOM 1496 CG TRP A 101 -1.772 6.024 10.017 1.00 23.14 C ATOM 1497 CD1 TRP A 101 -0.644 6.790 10.081 1.00 1.35 C ATOM 1498 CD2 TRP A 101 -1.815 5.268 11.232 1.00 20.31 C ATOM 1499 NE1 TRP A 101 0.018 6.556 11.263 1.00 42.24 N ATOM 1500 CE2 TRP A 101 -0.681 5.628 11.988 1.00 63.15 C ATOM 1501 CE3 TRP A 101 -2.702 4.324 11.758 1.00 10.23 C ATOM 1502 CZ2 TRP A 101 -0.414 5.075 13.237 1.00 13.44 C ATOM 1503 CZ3 TRP A 101 -2.435 3.777 12.998 1.00 30.21 C ATOM 1504 CH2 TRP A 101 -1.299 4.153 13.727 1.00 41.43 C ATOM 0 H TRP A 101 -3.562 8.134 10.058 1.00 21.15 H new ATOM 0 HA TRP A 101 -2.113 7.541 7.573 1.00 30.33 H new ATOM 0 HB2 TRP A 101 -3.723 5.626 9.284 1.00 54.12 H new ATOM 0 HB3 TRP A 101 -2.435 5.251 8.156 1.00 54.12 H new ATOM 0 HD1 TRP A 101 -0.319 7.479 9.315 1.00 1.35 H new ATOM 0 HE1 TRP A 101 0.889 7.001 11.553 1.00 42.24 H new ATOM 0 HE3 TRP A 101 -3.581 4.028 11.204 1.00 10.23 H new ATOM 0 HZ2 TRP A 101 0.461 5.363 13.800 1.00 13.44 H new ATOM 0 HZ3 TRP A 101 -3.114 3.047 13.413 1.00 30.21 H new ATOM 0 HH2 TRP A 101 -1.118 3.707 14.694 1.00 41.43 H new ATOM 1514 N THR A 102 -4.085 7.727 6.095 1.00 70.21 N ATOM 1515 CA THR A 102 -5.205 7.742 5.163 1.00 72.35 C ATOM 1516 C THR A 102 -5.330 6.411 4.432 1.00 3.51 C ATOM 1517 O THR A 102 -4.532 6.101 3.546 1.00 23.22 O ATOM 1518 CB THR A 102 -5.059 8.873 4.128 1.00 30.41 C ATOM 1519 OG1 THR A 102 -5.022 10.142 4.791 1.00 63.04 O ATOM 1520 CG2 THR A 102 -6.211 8.848 3.133 1.00 31.05 C ATOM 0 H THR A 102 -3.208 8.074 5.706 1.00 70.21 H new ATOM 0 HA THR A 102 -6.105 7.914 5.753 1.00 72.35 H new ATOM 0 HB THR A 102 -4.127 8.720 3.584 1.00 30.41 H new ATOM 0 HG1 THR A 102 -4.927 10.856 4.126 1.00 63.04 H new ATOM 0 HG21 THR A 102 -6.086 9.656 2.412 1.00 31.05 H new ATOM 0 HG22 THR A 102 -6.219 7.892 2.609 1.00 31.05 H new ATOM 0 HG23 THR A 102 -7.154 8.978 3.664 1.00 31.05 H new ATOM 1528 N VAL A 103 -6.336 5.627 4.805 1.00 44.34 N ATOM 1529 CA VAL A 103 -6.565 4.329 4.182 1.00 64.42 C ATOM 1530 C VAL A 103 -7.530 4.446 3.007 1.00 54.23 C ATOM 1531 O VAL A 103 -7.953 5.544 2.644 1.00 74.00 O ATOM 1532 CB VAL A 103 -7.127 3.312 5.193 1.00 70.13 C ATOM 1533 CG1 VAL A 103 -6.155 3.112 6.345 1.00 32.05 C ATOM 1534 CG2 VAL A 103 -8.487 3.766 5.705 1.00 20.14 C ATOM 0 H VAL A 103 -7.006 5.868 5.536 1.00 44.34 H new ATOM 0 HA VAL A 103 -5.599 3.976 3.822 1.00 64.42 H new ATOM 0 HB VAL A 103 -7.255 2.355 4.687 1.00 70.13 H new ATOM 0 HG11 VAL A 103 -6.569 2.390 7.049 1.00 32.05 H new ATOM 0 HG12 VAL A 103 -5.206 2.740 5.960 1.00 32.05 H new ATOM 0 HG13 VAL A 103 -5.992 4.063 6.853 1.00 32.05 H new ATOM 0 HG21 VAL A 103 -8.870 3.036 6.418 1.00 20.14 H new ATOM 0 HG22 VAL A 103 -8.386 4.734 6.195 1.00 20.14 H new ATOM 0 HG23 VAL A 103 -9.180 3.853 4.868 1.00 20.14 H new ATOM 1544 N TYR A 104 -7.874 3.307 2.415 1.00 54.14 N ATOM 1545 CA TYR A 104 -8.788 3.282 1.279 1.00 55.13 C ATOM 1546 C TYR A 104 -10.059 2.510 1.620 1.00 43.24 C ATOM 1547 O TYR A 104 -10.155 1.310 1.364 1.00 65.13 O ATOM 1548 CB TYR A 104 -8.106 2.654 0.063 1.00 51.02 C ATOM 1549 CG TYR A 104 -6.858 3.387 -0.376 1.00 5.03 C ATOM 1550 CD1 TYR A 104 -6.932 4.665 -0.915 1.00 74.20 C ATOM 1551 CD2 TYR A 104 -5.605 2.799 -0.252 1.00 12.21 C ATOM 1552 CE1 TYR A 104 -5.794 5.337 -1.318 1.00 5.30 C ATOM 1553 CE2 TYR A 104 -4.462 3.464 -0.651 1.00 14.30 C ATOM 1554 CZ TYR A 104 -4.562 4.733 -1.184 1.00 24.03 C ATOM 1555 OH TYR A 104 -3.426 5.399 -1.584 1.00 15.22 O ATOM 0 H TYR A 104 -7.534 2.390 2.703 1.00 54.14 H new ATOM 0 HA TYR A 104 -9.062 4.310 1.042 1.00 55.13 H new ATOM 0 HB2 TYR A 104 -7.848 1.621 0.295 1.00 51.02 H new ATOM 0 HB3 TYR A 104 -8.813 2.628 -0.766 1.00 51.02 H new ATOM 0 HD1 TYR A 104 -7.895 5.142 -1.021 1.00 74.20 H new ATOM 0 HD2 TYR A 104 -5.524 1.805 0.163 1.00 12.21 H new ATOM 0 HE1 TYR A 104 -5.869 6.330 -1.736 1.00 5.30 H new ATOM 0 HE2 TYR A 104 -3.496 2.994 -0.546 1.00 14.30 H new ATOM 0 HH TYR A 104 -2.641 4.835 -1.421 1.00 15.22 H new ATOM 1632 N LYS A 111 -12.838 -0.460 5.021 1.00 34.13 N ATOM 1633 CA LYS A 111 -12.503 -1.825 4.632 1.00 71.42 C ATOM 1634 C LYS A 111 -11.196 -1.862 3.847 1.00 55.20 C ATOM 1635 O LYS A 111 -10.780 -0.858 3.267 1.00 51.12 O ATOM 1636 CB LYS A 111 -13.631 -2.429 3.795 1.00 43.13 C ATOM 1637 CG LYS A 111 -13.775 -3.932 3.961 1.00 30.34 C ATOM 1638 CD LYS A 111 -14.168 -4.301 5.382 1.00 64.01 C ATOM 1639 CE LYS A 111 -15.357 -5.248 5.403 1.00 62.44 C ATOM 1640 NZ LYS A 111 -15.043 -6.548 4.747 1.00 44.54 N ATOM 0 HA LYS A 111 -12.377 -2.415 5.540 1.00 71.42 H new ATOM 0 HB2 LYS A 111 -14.571 -1.950 4.068 1.00 43.13 H new ATOM 0 HB3 LYS A 111 -13.452 -2.204 2.744 1.00 43.13 H new ATOM 0 HG2 LYS A 111 -14.527 -4.305 3.266 1.00 30.34 H new ATOM 0 HG3 LYS A 111 -12.834 -4.419 3.705 1.00 30.34 H new ATOM 0 HD2 LYS A 111 -13.321 -4.767 5.885 1.00 64.01 H new ATOM 0 HD3 LYS A 111 -14.412 -3.397 5.940 1.00 64.01 H new ATOM 0 HE2 LYS A 111 -15.661 -5.426 6.434 1.00 62.44 H new ATOM 0 HE3 LYS A 111 -16.202 -4.781 4.897 1.00 62.44 H new ATOM 0 HZ1 LYS A 111 -15.849 -7.196 4.856 1.00 44.54 H new ATOM 0 HZ2 LYS A 111 -14.860 -6.391 3.735 1.00 44.54 H new ATOM 0 HZ3 LYS A 111 -14.200 -6.966 5.191 1.00 44.54 H new ATOM 1650 N VAL A 112 -10.553 -3.024 3.830 1.00 2.05 N ATOM 1651 CA VAL A 112 -9.295 -3.193 3.113 1.00 15.22 C ATOM 1652 C VAL A 112 -9.533 -3.365 1.618 1.00 60.22 C ATOM 1653 O VAL A 112 -10.675 -3.383 1.158 1.00 72.33 O ATOM 1654 CB VAL A 112 -8.506 -4.406 3.640 1.00 31.43 C ATOM 1655 CG1 VAL A 112 -8.331 -4.316 5.148 1.00 50.04 C ATOM 1656 CG2 VAL A 112 -9.202 -5.702 3.253 1.00 3.11 C ATOM 0 H VAL A 112 -10.883 -3.864 4.305 1.00 2.05 H new ATOM 0 HA VAL A 112 -8.711 -2.289 3.283 1.00 15.22 H new ATOM 0 HB VAL A 112 -7.517 -4.400 3.183 1.00 31.43 H new ATOM 0 HG11 VAL A 112 -7.771 -5.182 5.502 1.00 50.04 H new ATOM 0 HG12 VAL A 112 -7.786 -3.405 5.397 1.00 50.04 H new ATOM 0 HG13 VAL A 112 -9.310 -4.296 5.627 1.00 50.04 H new ATOM 0 HG21 VAL A 112 -8.631 -6.549 3.633 1.00 3.11 H new ATOM 0 HG22 VAL A 112 -10.204 -5.718 3.681 1.00 3.11 H new ATOM 0 HG23 VAL A 112 -9.270 -5.768 2.167 1.00 3.11 H new ATOM 1666 N PHE A 113 -8.448 -3.492 0.862 1.00 5.12 N ATOM 1667 CA PHE A 113 -8.538 -3.664 -0.583 1.00 42.11 C ATOM 1668 C PHE A 113 -8.346 -5.128 -0.971 1.00 50.23 C ATOM 1669 O PHE A 113 -7.260 -5.683 -0.814 1.00 3.34 O ATOM 1670 CB PHE A 113 -7.493 -2.796 -1.287 1.00 45.22 C ATOM 1671 CG PHE A 113 -8.067 -1.558 -1.915 1.00 34.25 C ATOM 1672 CD1 PHE A 113 -8.974 -0.771 -1.223 1.00 11.05 C ATOM 1673 CD2 PHE A 113 -7.698 -1.180 -3.195 1.00 51.40 C ATOM 1674 CE1 PHE A 113 -9.503 0.369 -1.796 1.00 12.32 C ATOM 1675 CE2 PHE A 113 -8.223 -0.040 -3.774 1.00 75.21 C ATOM 1676 CZ PHE A 113 -9.127 0.735 -3.074 1.00 55.12 C ATOM 0 H PHE A 113 -7.495 -3.479 1.226 1.00 5.12 H new ATOM 0 HA PHE A 113 -9.533 -3.351 -0.899 1.00 42.11 H new ATOM 0 HB2 PHE A 113 -6.728 -2.507 -0.567 1.00 45.22 H new ATOM 0 HB3 PHE A 113 -6.999 -3.389 -2.057 1.00 45.22 H new ATOM 0 HD1 PHE A 113 -9.271 -1.053 -0.223 1.00 11.05 H new ATOM 0 HD2 PHE A 113 -6.992 -1.783 -3.747 1.00 51.40 H new ATOM 0 HE1 PHE A 113 -10.209 0.973 -1.246 1.00 12.32 H new ATOM 0 HE2 PHE A 113 -7.927 0.245 -4.773 1.00 75.21 H new ATOM 0 HZ PHE A 113 -9.539 1.626 -3.525 1.00 55.12 H new ATOM 1685 N GLN A 114 -9.408 -5.744 -1.477 1.00 63.32 N ATOM 1686 CA GLN A 114 -9.357 -7.143 -1.886 1.00 61.41 C ATOM 1687 C GLN A 114 -9.423 -7.269 -3.404 1.00 10.23 C ATOM 1688 O GLN A 114 -10.251 -6.633 -4.054 1.00 3.32 O ATOM 1689 CB GLN A 114 -10.506 -7.925 -1.247 1.00 2.01 C ATOM 1690 CG GLN A 114 -11.843 -7.205 -1.313 1.00 33.32 C ATOM 1691 CD GLN A 114 -12.274 -6.650 0.031 1.00 33.32 C ATOM 1692 OE1 GLN A 114 -11.344 -6.015 0.735 1.00 73.42 O flip ATOM 1693 NE2 GLN A 114 -13.429 -6.791 0.432 1.00 14.42 N flip ATOM 0 H GLN A 114 -10.315 -5.297 -1.614 1.00 63.32 H new ATOM 0 HA GLN A 114 -8.409 -7.561 -1.546 1.00 61.41 H new ATOM 0 HB2 GLN A 114 -10.598 -8.891 -1.744 1.00 2.01 H new ATOM 0 HB3 GLN A 114 -10.262 -8.126 -0.204 1.00 2.01 H new ATOM 0 HG2 GLN A 114 -11.777 -6.390 -2.034 1.00 33.32 H new ATOM 0 HG3 GLN A 114 -12.605 -7.894 -1.679 1.00 33.32 H new ATOM 0 HE21 GLN A 114 -14.111 -7.286 -0.142 1.00 14.42 H new ATOM 0 HE22 GLN A 114 -13.704 -6.413 1.338 1.00 14.42 H new ATOM 1700 N GLY A 115 -8.543 -8.095 -3.963 1.00 25.42 N ATOM 1701 CA GLY A 115 -8.518 -8.289 -5.401 1.00 25.44 C ATOM 1702 C GLY A 115 -7.109 -8.438 -5.941 1.00 72.23 C ATOM 1703 O GLY A 115 -6.232 -7.632 -5.634 1.00 33.42 O ATOM 0 H GLY A 115 -7.848 -8.633 -3.446 1.00 25.42 H new ATOM 0 HA2 GLY A 115 -9.097 -9.177 -5.655 1.00 25.44 H new ATOM 0 HA3 GLY A 115 -9.003 -7.442 -5.887 1.00 25.44 H new ATOM 1707 N ASN A 116 -6.892 -9.472 -6.747 1.00 41.40 N ATOM 1708 CA ASN A 116 -5.579 -9.724 -7.329 1.00 45.21 C ATOM 1709 C ASN A 116 -5.487 -9.142 -8.737 1.00 24.30 C ATOM 1710 O ASN A 116 -6.502 -8.948 -9.408 1.00 63.32 O ATOM 1711 CB ASN A 116 -5.295 -11.226 -7.367 1.00 24.31 C ATOM 1712 CG ASN A 116 -6.431 -12.015 -7.990 1.00 52.31 C ATOM 1713 OD1 ASN A 116 -7.414 -12.381 -7.176 1.00 71.31 O flip ATOM 1714 ND2 ASN A 116 -6.424 -12.291 -9.190 1.00 50.24 N flip ATOM 0 H ASN A 116 -7.608 -10.149 -7.012 1.00 41.40 H new ATOM 0 HA ASN A 116 -4.832 -9.235 -6.703 1.00 45.21 H new ATOM 0 HB2 ASN A 116 -4.380 -11.406 -7.931 1.00 24.31 H new ATOM 0 HB3 ASN A 116 -5.120 -11.585 -6.353 1.00 24.31 H new ATOM 0 HD21 ASN A 116 -5.647 -11.989 -9.778 1.00 50.24 H new ATOM 0 HD22 ASN A 116 -7.195 -12.822 -9.596 1.00 50.24 H new ATOM 1720 N LEU A 117 -4.265 -8.868 -9.179 1.00 43.43 N ATOM 1721 CA LEU A 117 -4.040 -8.308 -10.508 1.00 4.34 C ATOM 1722 C LEU A 117 -2.969 -9.097 -11.256 1.00 40.04 C ATOM 1723 O LEU A 117 -2.282 -8.560 -12.125 1.00 22.10 O ATOM 1724 CB LEU A 117 -3.627 -6.840 -10.402 1.00 34.20 C ATOM 1725 CG LEU A 117 -4.701 -5.875 -9.896 1.00 22.22 C ATOM 1726 CD1 LEU A 117 -4.075 -4.559 -9.465 1.00 14.42 C ATOM 1727 CD2 LEU A 117 -5.755 -5.641 -10.968 1.00 1.53 C ATOM 0 H LEU A 117 -3.415 -9.024 -8.638 1.00 43.43 H new ATOM 0 HA LEU A 117 -4.973 -8.376 -11.067 1.00 4.34 H new ATOM 0 HB2 LEU A 117 -2.765 -6.773 -9.738 1.00 34.20 H new ATOM 0 HB3 LEU A 117 -3.299 -6.504 -11.386 1.00 34.20 H new ATOM 0 HG LEU A 117 -5.187 -6.324 -9.029 1.00 22.22 H new ATOM 0 HD11 LEU A 117 -4.854 -3.885 -9.108 1.00 14.42 H new ATOM 0 HD12 LEU A 117 -3.359 -4.742 -8.664 1.00 14.42 H new ATOM 0 HD13 LEU A 117 -3.563 -4.105 -10.313 1.00 14.42 H new ATOM 0 HD21 LEU A 117 -6.511 -4.952 -10.591 1.00 1.53 H new ATOM 0 HD22 LEU A 117 -5.285 -5.214 -11.854 1.00 1.53 H new ATOM 0 HD23 LEU A 117 -6.226 -6.589 -11.229 1.00 1.53 H new ATOM 1738 N ASP A 118 -2.835 -10.374 -10.914 1.00 60.11 N ATOM 1739 CA ASP A 118 -1.850 -11.237 -11.555 1.00 34.51 C ATOM 1740 C ASP A 118 -0.470 -10.589 -11.545 1.00 33.24 C ATOM 1741 O ASP A 118 -0.250 -9.585 -10.868 1.00 10.34 O ATOM 1742 CB ASP A 118 -2.272 -11.548 -12.992 1.00 14.42 C ATOM 1743 CG ASP A 118 -3.749 -11.863 -13.108 1.00 71.34 C ATOM 1744 OD1 ASP A 118 -4.268 -12.596 -12.239 1.00 45.53 O ATOM 1745 OD2 ASP A 118 -4.387 -11.378 -14.065 1.00 64.34 O ATOM 0 H ASP A 118 -3.396 -10.834 -10.197 1.00 60.11 H new ATOM 0 HA ASP A 118 -1.797 -12.168 -10.991 1.00 34.51 H new ATOM 0 HB2 ASP A 118 -2.034 -10.696 -13.629 1.00 14.42 H new ATOM 0 HB3 ASP A 118 -1.693 -12.394 -13.362 1.00 14.42 H new ATOM 1749 N ASN A 119 0.457 -11.170 -12.299 1.00 1.51 N ATOM 1750 CA ASN A 119 1.818 -10.650 -12.376 1.00 34.50 C ATOM 1751 C ASN A 119 2.040 -9.900 -13.685 1.00 43.31 C ATOM 1752 O ASN A 119 2.975 -9.108 -13.808 1.00 63.53 O ATOM 1753 CB ASN A 119 2.830 -11.789 -12.248 1.00 44.01 C ATOM 1754 CG ASN A 119 2.363 -12.875 -11.298 1.00 51.14 C ATOM 1755 OD1 ASN A 119 2.491 -14.064 -11.586 1.00 3.02 O ATOM 1756 ND2 ASN A 119 1.818 -12.468 -10.158 1.00 73.35 N ATOM 0 H ASN A 119 0.291 -12.002 -12.866 1.00 1.51 H new ATOM 0 HA ASN A 119 1.961 -9.953 -11.550 1.00 34.50 H new ATOM 0 HB2 ASN A 119 3.010 -12.223 -13.231 1.00 44.01 H new ATOM 0 HB3 ASN A 119 3.781 -11.388 -11.898 1.00 44.01 H new ATOM 0 HD21 ASN A 119 1.485 -13.152 -9.479 1.00 73.35 H new ATOM 0 HD22 ASN A 119 1.732 -11.471 -9.961 1.00 73.35 H new ATOM 1762 N ASN A 120 1.175 -10.155 -14.661 1.00 73.45 N ATOM 1763 CA ASN A 120 1.277 -9.503 -15.962 1.00 4.02 C ATOM 1764 C ASN A 120 0.321 -8.318 -16.054 1.00 64.11 C ATOM 1765 O ASN A 120 -0.128 -7.951 -17.140 1.00 22.15 O ATOM 1766 CB ASN A 120 0.975 -10.503 -17.081 1.00 32.14 C ATOM 1767 CG ASN A 120 1.649 -11.843 -16.855 1.00 62.11 C ATOM 1768 OD1 ASN A 120 0.994 -12.886 -16.847 1.00 41.50 O ATOM 1769 ND2 ASN A 120 2.963 -11.821 -16.668 1.00 43.45 N ATOM 0 H ASN A 120 0.396 -10.808 -14.576 1.00 73.45 H new ATOM 0 HA ASN A 120 2.296 -9.134 -16.077 1.00 4.02 H new ATOM 0 HB2 ASN A 120 -0.103 -10.649 -17.153 1.00 32.14 H new ATOM 0 HB3 ASN A 120 1.305 -10.089 -18.034 1.00 32.14 H new ATOM 0 HD21 ASN A 120 3.470 -12.692 -16.510 1.00 43.45 H new ATOM 0 HD22 ASN A 120 3.465 -10.933 -16.683 1.00 43.45 H new ATOM 1775 N SER A 121 0.015 -7.722 -14.906 1.00 73.54 N ATOM 1776 CA SER A 121 -0.891 -6.580 -14.856 1.00 13.45 C ATOM 1777 C SER A 121 -0.448 -5.582 -13.789 1.00 20.02 C ATOM 1778 O SER A 121 -0.498 -5.872 -12.594 1.00 75.53 O ATOM 1779 CB SER A 121 -2.319 -7.046 -14.572 1.00 22.41 C ATOM 1780 OG SER A 121 -3.200 -6.653 -15.610 1.00 63.32 O ATOM 0 H SER A 121 0.381 -8.011 -13.999 1.00 73.54 H new ATOM 0 HA SER A 121 -0.865 -6.085 -15.827 1.00 13.45 H new ATOM 0 HB2 SER A 121 -2.337 -8.131 -14.467 1.00 22.41 H new ATOM 0 HB3 SER A 121 -2.659 -6.629 -13.624 1.00 22.41 H new ATOM 0 HG SER A 121 -4.106 -6.965 -15.405 1.00 63.32 H new ATOM 1785 N HIS A 122 -0.013 -4.407 -14.231 1.00 0.32 N ATOM 1786 CA HIS A 122 0.438 -3.365 -13.315 1.00 13.41 C ATOM 1787 C HIS A 122 -0.598 -2.251 -13.205 1.00 63.40 C ATOM 1788 O HIS A 122 -1.102 -1.754 -14.213 1.00 32.53 O ATOM 1789 CB HIS A 122 1.775 -2.788 -13.785 1.00 63.04 C ATOM 1790 CG HIS A 122 1.651 -1.874 -14.966 1.00 70.31 C ATOM 1791 ND1 HIS A 122 2.208 -0.614 -15.003 1.00 33.03 N ATOM 1792 CD2 HIS A 122 1.030 -2.045 -16.156 1.00 62.51 C ATOM 1793 CE1 HIS A 122 1.934 -0.048 -16.165 1.00 61.31 C ATOM 1794 NE2 HIS A 122 1.220 -0.896 -16.884 1.00 11.13 N ATOM 0 H HIS A 122 0.037 -4.152 -15.217 1.00 0.32 H new ATOM 0 HA HIS A 122 0.569 -3.814 -12.330 1.00 13.41 H new ATOM 0 HB2 HIS A 122 2.236 -2.243 -12.961 1.00 63.04 H new ATOM 0 HB3 HIS A 122 2.446 -3.608 -14.040 1.00 63.04 H new ATOM 0 HD2 HIS A 122 0.486 -2.922 -16.474 1.00 62.51 H new ATOM 0 HE1 HIS A 122 2.241 0.940 -16.475 1.00 61.31 H new ATOM 0 HE2 HIS A 122 0.868 -0.725 -17.826 1.00 11.13 H new ATOM 1801 N LYS A 123 -0.915 -1.865 -11.974 1.00 31.41 N ATOM 1802 CA LYS A 123 -1.892 -0.812 -11.729 1.00 52.54 C ATOM 1803 C LYS A 123 -2.128 -0.623 -10.235 1.00 31.50 C ATOM 1804 O LYS A 123 -1.577 -1.355 -9.411 1.00 71.01 O ATOM 1805 CB LYS A 123 -3.214 -1.141 -12.427 1.00 51.41 C ATOM 1806 CG LYS A 123 -3.618 -0.119 -13.477 1.00 23.12 C ATOM 1807 CD LYS A 123 -4.386 -0.767 -14.618 1.00 12.10 C ATOM 1808 CE LYS A 123 -5.310 0.228 -15.302 1.00 64.45 C ATOM 1809 NZ LYS A 123 -5.468 -0.068 -16.754 1.00 34.31 N ATOM 0 H LYS A 123 -0.508 -2.267 -11.129 1.00 31.41 H new ATOM 0 HA LYS A 123 -1.494 0.118 -12.136 1.00 52.54 H new ATOM 0 HB2 LYS A 123 -3.133 -2.121 -12.898 1.00 51.41 H new ATOM 0 HB3 LYS A 123 -4.003 -1.212 -11.678 1.00 51.41 H new ATOM 0 HG2 LYS A 123 -4.233 0.654 -13.016 1.00 23.12 H new ATOM 0 HG3 LYS A 123 -2.728 0.373 -13.869 1.00 23.12 H new ATOM 0 HD2 LYS A 123 -3.684 -1.174 -15.346 1.00 12.10 H new ATOM 0 HD3 LYS A 123 -4.970 -1.604 -14.236 1.00 12.10 H new ATOM 0 HE2 LYS A 123 -6.287 0.208 -14.819 1.00 64.45 H new ATOM 0 HE3 LYS A 123 -4.914 1.236 -15.178 1.00 64.45 H new ATOM 0 HZ1 LYS A 123 -6.105 0.633 -17.184 1.00 34.31 H new ATOM 0 HZ2 LYS A 123 -4.539 -0.024 -17.220 1.00 34.31 H new ATOM 0 HZ3 LYS A 123 -5.870 -1.020 -16.873 1.00 34.31 H new ATOM 1819 N LYS A 124 -2.952 0.360 -9.889 1.00 62.44 N ATOM 1820 CA LYS A 124 -3.265 0.643 -8.492 1.00 3.30 C ATOM 1821 C LYS A 124 -4.210 1.834 -8.377 1.00 70.50 C ATOM 1822 O LYS A 124 -5.406 1.668 -8.144 1.00 63.34 O ATOM 1823 CB LYS A 124 -1.980 0.919 -7.707 1.00 52.42 C ATOM 1824 CG LYS A 124 -1.705 -0.098 -6.613 1.00 54.35 C ATOM 1825 CD LYS A 124 -2.835 -0.143 -5.598 1.00 33.00 C ATOM 1826 CE LYS A 124 -2.304 -0.258 -4.177 1.00 5.52 C ATOM 1827 NZ LYS A 124 -3.149 0.489 -3.206 1.00 54.32 N ATOM 0 H LYS A 124 -3.416 0.975 -10.557 1.00 62.44 H new ATOM 0 HA LYS A 124 -3.760 -0.232 -8.071 1.00 3.30 H new ATOM 0 HB2 LYS A 124 -1.138 0.933 -8.399 1.00 52.42 H new ATOM 0 HB3 LYS A 124 -2.043 1.912 -7.261 1.00 52.42 H new ATOM 0 HG2 LYS A 124 -1.574 -1.085 -7.057 1.00 54.35 H new ATOM 0 HG3 LYS A 124 -0.771 0.152 -6.109 1.00 54.35 H new ATOM 0 HD2 LYS A 124 -3.443 0.757 -5.689 1.00 33.00 H new ATOM 0 HD3 LYS A 124 -3.486 -0.990 -5.814 1.00 33.00 H new ATOM 0 HE2 LYS A 124 -2.263 -1.308 -3.889 1.00 5.52 H new ATOM 0 HE3 LYS A 124 -1.284 0.124 -4.139 1.00 5.52 H new ATOM 0 HZ1 LYS A 124 -2.584 1.240 -2.760 1.00 54.32 H new ATOM 0 HZ2 LYS A 124 -3.958 0.913 -3.704 1.00 54.32 H new ATOM 0 HZ3 LYS A 124 -3.496 -0.163 -2.474 1.00 54.32 H new ATOM 1837 N ASN A 125 -3.665 3.035 -8.543 1.00 63.15 N ATOM 1838 CA ASN A 125 -4.462 4.253 -8.458 1.00 53.10 C ATOM 1839 C ASN A 125 -3.866 5.355 -9.330 1.00 33.31 C ATOM 1840 O ASN A 125 -2.649 5.437 -9.496 1.00 4.31 O ATOM 1841 CB ASN A 125 -4.551 4.729 -7.006 1.00 22.10 C ATOM 1842 CG ASN A 125 -5.914 5.305 -6.669 1.00 3.44 C ATOM 1843 OD1 ASN A 125 -6.797 4.596 -6.188 1.00 24.52 O ATOM 1844 ND2 ASN A 125 -6.088 6.596 -6.921 1.00 32.20 N ATOM 0 H ASN A 125 -2.676 3.190 -8.737 1.00 63.15 H new ATOM 0 HA ASN A 125 -5.464 4.028 -8.822 1.00 53.10 H new ATOM 0 HB2 ASN A 125 -4.337 3.894 -6.339 1.00 22.10 H new ATOM 0 HB3 ASN A 125 -3.786 5.484 -6.826 1.00 22.10 H new ATOM 0 HD21 ASN A 125 -6.983 7.040 -6.715 1.00 32.20 H new ATOM 0 HD22 ASN A 125 -5.327 7.145 -7.321 1.00 32.20 H new ATOM 1850 N ILE A 126 -4.732 6.199 -9.882 1.00 22.15 N ATOM 1851 CA ILE A 126 -4.290 7.295 -10.734 1.00 53.11 C ATOM 1852 C ILE A 126 -4.268 8.612 -9.967 1.00 74.02 C ATOM 1853 O ILE A 126 -4.485 8.642 -8.756 1.00 32.23 O ATOM 1854 CB ILE A 126 -5.198 7.448 -11.969 1.00 31.03 C ATOM 1855 CG1 ILE A 126 -4.397 7.996 -13.153 1.00 24.30 C ATOM 1856 CG2 ILE A 126 -6.374 8.359 -11.652 1.00 71.45 C ATOM 1857 CD1 ILE A 126 -4.419 7.093 -14.366 1.00 63.20 C ATOM 0 H ILE A 126 -5.742 6.144 -9.754 1.00 22.15 H new ATOM 0 HA ILE A 126 -3.280 7.052 -11.063 1.00 53.11 H new ATOM 0 HB ILE A 126 -5.587 6.466 -12.240 1.00 31.03 H new ATOM 0 HG12 ILE A 126 -4.795 8.972 -13.430 1.00 24.30 H new ATOM 0 HG13 ILE A 126 -3.363 8.149 -12.843 1.00 24.30 H new ATOM 0 HG21 ILE A 126 -7.006 8.457 -12.534 1.00 71.45 H new ATOM 0 HG22 ILE A 126 -6.955 7.932 -10.835 1.00 71.45 H new ATOM 0 HG23 ILE A 126 -6.004 9.342 -11.359 1.00 71.45 H new ATOM 0 HD11 ILE A 126 -3.832 7.544 -15.166 1.00 63.20 H new ATOM 0 HD12 ILE A 126 -3.994 6.124 -14.106 1.00 63.20 H new ATOM 0 HD13 ILE A 126 -5.447 6.960 -14.702 1.00 63.20 H new ATOM 1868 N PHE A 127 -4.004 9.703 -10.681 1.00 63.54 N ATOM 1869 CA PHE A 127 -3.955 11.025 -10.068 1.00 22.20 C ATOM 1870 C PHE A 127 -5.361 11.559 -9.813 1.00 31.45 C ATOM 1871 O PHE A 127 -5.596 12.766 -9.861 1.00 33.22 O ATOM 1872 CB PHE A 127 -3.183 11.995 -10.963 1.00 54.34 C ATOM 1873 CG PHE A 127 -3.947 12.421 -12.185 1.00 53.21 C ATOM 1874 CD1 PHE A 127 -4.081 11.567 -13.267 1.00 0.21 C ATOM 1875 CD2 PHE A 127 -4.529 13.678 -12.250 1.00 25.11 C ATOM 1876 CE1 PHE A 127 -4.783 11.956 -14.392 1.00 65.11 C ATOM 1877 CE2 PHE A 127 -5.233 14.071 -13.373 1.00 3.02 C ATOM 1878 CZ PHE A 127 -5.359 13.210 -14.446 1.00 35.40 C ATOM 0 H PHE A 127 -3.821 9.697 -11.684 1.00 63.54 H new ATOM 0 HA PHE A 127 -3.441 10.936 -9.111 1.00 22.20 H new ATOM 0 HB2 PHE A 127 -2.918 12.879 -10.383 1.00 54.34 H new ATOM 0 HB3 PHE A 127 -2.249 11.526 -11.273 1.00 54.34 H new ATOM 0 HD1 PHE A 127 -3.632 10.586 -13.231 1.00 0.21 H new ATOM 0 HD2 PHE A 127 -4.431 14.356 -11.415 1.00 25.11 H new ATOM 0 HE1 PHE A 127 -4.881 11.280 -15.228 1.00 65.11 H new ATOM 0 HE2 PHE A 127 -5.685 15.051 -13.411 1.00 3.02 H new ATOM 0 HZ PHE A 127 -5.907 13.517 -15.325 1.00 35.40 H new ATOM 1887 N GLU A 128 -6.293 10.651 -9.541 1.00 2.43 N ATOM 1888 CA GLU A 128 -7.676 11.030 -9.280 1.00 32.40 C ATOM 1889 C GLU A 128 -7.764 11.979 -8.087 1.00 4.10 C ATOM 1890 O GLU A 128 -8.737 12.719 -7.937 1.00 3.42 O ATOM 1891 CB GLU A 128 -8.529 9.787 -9.020 1.00 71.23 C ATOM 1892 CG GLU A 128 -9.983 10.101 -8.711 1.00 63.25 C ATOM 1893 CD GLU A 128 -10.941 9.110 -9.344 1.00 51.15 C ATOM 1894 OE1 GLU A 128 -10.981 9.035 -10.590 1.00 52.23 O ATOM 1895 OE2 GLU A 128 -11.652 8.408 -8.593 1.00 14.33 O ATOM 0 H GLU A 128 -6.115 9.648 -9.496 1.00 2.43 H new ATOM 0 HA GLU A 128 -8.057 11.545 -10.162 1.00 32.40 H new ATOM 0 HB2 GLU A 128 -8.484 9.137 -9.894 1.00 71.23 H new ATOM 0 HB3 GLU A 128 -8.101 9.231 -8.186 1.00 71.23 H new ATOM 0 HG2 GLU A 128 -10.129 10.102 -7.631 1.00 63.25 H new ATOM 0 HG3 GLU A 128 -10.217 11.105 -9.066 1.00 63.25 H new ATOM 1900 N LYS A 129 -6.740 11.951 -7.241 1.00 72.10 N ATOM 1901 CA LYS A 129 -6.698 12.808 -6.061 1.00 41.34 C ATOM 1902 C LYS A 129 -5.338 12.724 -5.376 1.00 73.22 C ATOM 1903 O LYS A 129 -5.136 11.953 -4.438 1.00 14.15 O ATOM 1904 CB LYS A 129 -7.803 12.411 -5.078 1.00 0.35 C ATOM 1905 CG LYS A 129 -9.019 13.317 -5.133 1.00 72.14 C ATOM 1906 CD LYS A 129 -9.249 14.023 -3.807 1.00 71.30 C ATOM 1907 CE LYS A 129 -10.730 14.240 -3.539 1.00 42.33 C ATOM 1908 NZ LYS A 129 -10.969 14.864 -2.208 1.00 53.41 N ATOM 0 H LYS A 129 -5.928 11.344 -7.350 1.00 72.10 H new ATOM 0 HA LYS A 129 -6.859 13.837 -6.383 1.00 41.34 H new ATOM 0 HB2 LYS A 129 -8.113 11.387 -5.287 1.00 0.35 H new ATOM 0 HB3 LYS A 129 -7.398 12.421 -4.066 1.00 0.35 H new ATOM 0 HG2 LYS A 129 -8.887 14.057 -5.922 1.00 72.14 H new ATOM 0 HG3 LYS A 129 -9.900 12.730 -5.391 1.00 72.14 H new ATOM 0 HD2 LYS A 129 -8.815 13.433 -3.000 1.00 71.30 H new ATOM 0 HD3 LYS A 129 -8.735 14.984 -3.812 1.00 71.30 H new ATOM 0 HE2 LYS A 129 -11.150 14.875 -4.318 1.00 42.33 H new ATOM 0 HE3 LYS A 129 -11.252 13.284 -3.591 1.00 42.33 H new ATOM 0 HZ1 LYS A 129 -11.991 14.995 -2.064 1.00 53.41 H new ATOM 0 HZ2 LYS A 129 -10.591 14.246 -1.462 1.00 53.41 H new ATOM 0 HZ3 LYS A 129 -10.493 15.788 -2.167 1.00 53.41 H new ATOM 1918 N PRO A 130 -4.384 13.537 -5.852 1.00 52.30 N ATOM 1919 CA PRO A 130 -3.027 13.574 -5.298 1.00 73.41 C ATOM 1920 C PRO A 130 -2.988 14.186 -3.902 1.00 12.15 C ATOM 1921 O PRO A 130 -3.976 14.749 -3.432 1.00 52.22 O ATOM 1922 CB PRO A 130 -2.263 14.456 -6.289 1.00 45.44 C ATOM 1923 CG PRO A 130 -3.306 15.318 -6.911 1.00 51.02 C ATOM 1924 CD PRO A 130 -4.555 14.482 -6.969 1.00 74.21 C ATOM 0 HA PRO A 130 -2.606 12.575 -5.183 1.00 73.41 H new ATOM 0 HB2 PRO A 130 -1.505 15.054 -5.784 1.00 45.44 H new ATOM 0 HB3 PRO A 130 -1.748 13.855 -7.038 1.00 45.44 H new ATOM 0 HG2 PRO A 130 -3.468 16.221 -6.322 1.00 51.02 H new ATOM 0 HG3 PRO A 130 -3.004 15.638 -7.908 1.00 51.02 H new ATOM 0 HD2 PRO A 130 -5.452 15.090 -6.848 1.00 74.21 H new ATOM 0 HD3 PRO A 130 -4.648 13.964 -7.923 1.00 74.21 H new ATOM 1929 N PHE A 131 -1.840 14.071 -3.242 1.00 22.13 N ATOM 1930 CA PHE A 131 -1.673 14.612 -1.899 1.00 34.04 C ATOM 1931 C PHE A 131 -0.261 14.353 -1.381 1.00 75.22 C ATOM 1932 O PHE A 131 0.421 13.435 -1.835 1.00 61.12 O ATOM 1933 CB PHE A 131 -2.699 13.996 -0.946 1.00 21.12 C ATOM 1934 CG PHE A 131 -3.719 14.979 -0.447 1.00 51.32 C ATOM 1935 CD1 PHE A 131 -3.326 16.130 0.217 1.00 40.20 C ATOM 1936 CD2 PHE A 131 -5.072 14.752 -0.643 1.00 61.43 C ATOM 1937 CE1 PHE A 131 -4.263 17.035 0.677 1.00 61.32 C ATOM 1938 CE2 PHE A 131 -6.014 15.655 -0.185 1.00 22.52 C ATOM 1939 CZ PHE A 131 -5.608 16.797 0.475 1.00 71.14 C ATOM 0 H PHE A 131 -1.012 13.608 -3.616 1.00 22.13 H new ATOM 0 HA PHE A 131 -1.833 15.689 -1.946 1.00 34.04 H new ATOM 0 HB2 PHE A 131 -3.211 13.180 -1.455 1.00 21.12 H new ATOM 0 HB3 PHE A 131 -2.177 13.562 -0.093 1.00 21.12 H new ATOM 0 HD1 PHE A 131 -2.275 16.322 0.377 1.00 40.20 H new ATOM 0 HD2 PHE A 131 -5.394 13.860 -1.159 1.00 61.43 H new ATOM 0 HE1 PHE A 131 -3.944 17.928 1.194 1.00 61.32 H new ATOM 0 HE2 PHE A 131 -7.066 15.467 -0.344 1.00 22.52 H new ATOM 0 HZ PHE A 131 -6.342 17.504 0.833 1.00 71.14 H new ATOM 1948 N MET A 132 0.171 15.172 -0.425 1.00 25.22 N ATOM 1949 CA MET A 132 1.501 15.031 0.156 1.00 1.11 C ATOM 1950 C MET A 132 1.584 13.784 1.031 1.00 70.21 C ATOM 1951 O MET A 132 0.575 13.321 1.564 1.00 22.13 O ATOM 1952 CB MET A 132 1.855 16.270 0.980 1.00 13.22 C ATOM 1953 CG MET A 132 0.837 16.591 2.062 1.00 73.41 C ATOM 1954 SD MET A 132 0.487 18.355 2.187 1.00 1.23 S ATOM 1955 CE MET A 132 -0.355 18.643 0.632 1.00 55.43 C ATOM 0 H MET A 132 -0.380 15.938 -0.038 1.00 25.22 H new ATOM 0 HA MET A 132 2.217 14.929 -0.660 1.00 1.11 H new ATOM 0 HB2 MET A 132 2.831 16.122 1.443 1.00 13.22 H new ATOM 0 HB3 MET A 132 1.946 17.127 0.312 1.00 13.22 H new ATOM 0 HG2 MET A 132 -0.089 16.055 1.854 1.00 73.41 H new ATOM 0 HG3 MET A 132 1.206 16.229 3.022 1.00 73.41 H new ATOM 0 HE1 MET A 132 -0.276 19.697 0.365 1.00 55.43 H new ATOM 0 HE2 MET A 132 0.104 18.036 -0.148 1.00 55.43 H new ATOM 0 HE3 MET A 132 -1.406 18.372 0.732 1.00 55.43 H new ATOM 1963 N ALA A 133 2.790 13.245 1.175 1.00 41.11 N ATOM 1964 CA ALA A 133 3.003 12.054 1.986 1.00 31.12 C ATOM 1965 C ALA A 133 4.432 11.996 2.513 1.00 12.13 C ATOM 1966 O ALA A 133 5.368 12.439 1.847 1.00 51.33 O ATOM 1967 CB ALA A 133 2.684 10.803 1.181 1.00 2.33 C ATOM 0 H ALA A 133 3.635 13.615 0.740 1.00 41.11 H new ATOM 0 HA ALA A 133 2.330 12.103 2.842 1.00 31.12 H new ATOM 0 HB1 ALA A 133 2.848 9.921 1.800 1.00 2.33 H new ATOM 0 HB2 ALA A 133 1.643 10.833 0.860 1.00 2.33 H new ATOM 0 HB3 ALA A 133 3.333 10.758 0.306 1.00 2.33 H new ATOM 1973 N ARG A 134 4.595 11.449 3.713 1.00 50.14 N ATOM 1974 CA ARG A 134 5.911 11.336 4.329 1.00 75.53 C ATOM 1975 C ARG A 134 6.233 9.881 4.661 1.00 55.52 C ATOM 1976 O ARG A 134 7.398 9.483 4.682 1.00 23.52 O ATOM 1977 CB ARG A 134 5.977 12.186 5.600 1.00 75.23 C ATOM 1978 CG ARG A 134 7.352 12.209 6.247 1.00 2.21 C ATOM 1979 CD ARG A 134 7.255 12.148 7.763 1.00 13.43 C ATOM 1980 NE ARG A 134 7.877 10.942 8.304 1.00 73.13 N ATOM 1981 CZ ARG A 134 7.748 10.552 9.567 1.00 3.43 C ATOM 1982 NH1 ARG A 134 7.024 11.268 10.415 1.00 52.43 N ATOM 1983 NH2 ARG A 134 8.345 9.442 9.984 1.00 62.44 N ATOM 0 H ARG A 134 3.832 11.077 4.278 1.00 50.14 H new ATOM 0 HA ARG A 134 6.651 11.701 3.616 1.00 75.53 H new ATOM 0 HB2 ARG A 134 5.681 13.207 5.360 1.00 75.23 H new ATOM 0 HB3 ARG A 134 5.253 11.805 6.320 1.00 75.23 H new ATOM 0 HG2 ARG A 134 7.940 11.366 5.885 1.00 2.21 H new ATOM 0 HG3 ARG A 134 7.879 13.116 5.951 1.00 2.21 H new ATOM 0 HD2 ARG A 134 7.735 13.027 8.192 1.00 13.43 H new ATOM 0 HD3 ARG A 134 6.207 12.180 8.061 1.00 13.43 H new ATOM 0 HE ARG A 134 8.441 10.368 7.677 1.00 73.13 H new ATOM 0 HH11 ARG A 134 6.564 12.121 10.098 1.00 52.43 H new ATOM 0 HH12 ARG A 134 6.927 10.966 11.384 1.00 52.43 H new ATOM 0 HH21 ARG A 134 8.903 8.888 9.334 1.00 62.44 H new ATOM 0 HH22 ARG A 134 8.246 9.143 10.954 1.00 62.44 H new ATOM 1994 N TYR A 135 5.194 9.095 4.919 1.00 33.24 N ATOM 1995 CA TYR A 135 5.367 7.686 5.252 1.00 14.31 C ATOM 1996 C TYR A 135 4.055 6.924 5.092 1.00 73.01 C ATOM 1997 O TYR A 135 3.005 7.367 5.557 1.00 73.10 O ATOM 1998 CB TYR A 135 5.884 7.539 6.685 1.00 62.02 C ATOM 1999 CG TYR A 135 5.640 6.169 7.277 1.00 31.21 C ATOM 2000 CD1 TYR A 135 4.463 5.886 7.960 1.00 21.44 C ATOM 2001 CD2 TYR A 135 6.587 5.159 7.157 1.00 55.23 C ATOM 2002 CE1 TYR A 135 4.237 4.637 8.505 1.00 24.24 C ATOM 2003 CE2 TYR A 135 6.369 3.907 7.697 1.00 43.14 C ATOM 2004 CZ TYR A 135 5.192 3.650 8.370 1.00 54.10 C ATOM 2005 OH TYR A 135 4.971 2.405 8.911 1.00 4.32 O ATOM 0 H TYR A 135 4.224 9.409 4.904 1.00 33.24 H new ATOM 0 HA TYR A 135 6.098 7.263 4.564 1.00 14.31 H new ATOM 0 HB2 TYR A 135 6.954 7.747 6.700 1.00 62.02 H new ATOM 0 HB3 TYR A 135 5.405 8.289 7.314 1.00 62.02 H new ATOM 0 HD1 TYR A 135 3.713 6.655 8.066 1.00 21.44 H new ATOM 0 HD2 TYR A 135 7.510 5.357 6.632 1.00 55.23 H new ATOM 0 HE1 TYR A 135 3.318 4.434 9.034 1.00 24.24 H new ATOM 0 HE2 TYR A 135 7.115 3.133 7.593 1.00 43.14 H new ATOM 0 HH TYR A 135 4.009 2.217 8.917 1.00 4.32 H new ATOM 2014 N VAL A 136 4.124 5.774 4.429 1.00 61.22 N ATOM 2015 CA VAL A 136 2.944 4.948 4.207 1.00 61.52 C ATOM 2016 C VAL A 136 3.092 3.586 4.878 1.00 44.21 C ATOM 2017 O VAL A 136 4.204 3.087 5.053 1.00 74.44 O ATOM 2018 CB VAL A 136 2.676 4.741 2.705 1.00 13.03 C ATOM 2019 CG1 VAL A 136 2.737 6.069 1.965 1.00 41.34 C ATOM 2020 CG2 VAL A 136 3.669 3.749 2.118 1.00 73.43 C ATOM 0 H VAL A 136 4.985 5.393 4.036 1.00 61.22 H new ATOM 0 HA VAL A 136 2.100 5.478 4.648 1.00 61.52 H new ATOM 0 HB VAL A 136 1.673 4.330 2.586 1.00 13.03 H new ATOM 0 HG11 VAL A 136 2.545 5.904 0.905 1.00 41.34 H new ATOM 0 HG12 VAL A 136 1.984 6.746 2.369 1.00 41.34 H new ATOM 0 HG13 VAL A 136 3.726 6.510 2.090 1.00 41.34 H new ATOM 0 HG21 VAL A 136 3.465 3.615 1.056 1.00 73.43 H new ATOM 0 HG22 VAL A 136 4.682 4.129 2.247 1.00 73.43 H new ATOM 0 HG23 VAL A 136 3.572 2.791 2.630 1.00 73.43 H new ATOM 2030 N ARG A 137 1.964 2.989 5.249 1.00 42.23 N ATOM 2031 CA ARG A 137 1.969 1.685 5.901 1.00 24.15 C ATOM 2032 C ARG A 137 1.067 0.703 5.158 1.00 50.11 C ATOM 2033 O ARG A 137 -0.050 1.042 4.769 1.00 45.14 O ATOM 2034 CB ARG A 137 1.510 1.816 7.354 1.00 21.41 C ATOM 2035 CG ARG A 137 1.634 0.526 8.150 1.00 60.22 C ATOM 2036 CD ARG A 137 1.603 0.791 9.647 1.00 73.21 C ATOM 2037 NE ARG A 137 0.279 0.555 10.217 1.00 54.04 N ATOM 2038 CZ ARG A 137 -0.226 -0.655 10.426 1.00 50.05 C ATOM 2039 NH1 ARG A 137 0.477 -1.734 10.113 1.00 61.32 N ATOM 2040 NH2 ARG A 137 -1.439 -0.788 10.949 1.00 1.30 N ATOM 0 H ARG A 137 1.035 3.387 5.109 1.00 42.23 H new ATOM 0 HA ARG A 137 2.989 1.301 5.883 1.00 24.15 H new ATOM 0 HB2 ARG A 137 2.097 2.593 7.843 1.00 21.41 H new ATOM 0 HB3 ARG A 137 0.471 2.145 7.370 1.00 21.41 H new ATOM 0 HG2 ARG A 137 0.821 -0.148 7.882 1.00 60.22 H new ATOM 0 HG3 ARG A 137 2.565 0.023 7.887 1.00 60.22 H new ATOM 0 HD2 ARG A 137 2.331 0.150 10.144 1.00 73.21 H new ATOM 0 HD3 ARG A 137 1.902 1.821 9.839 1.00 73.21 H new ATOM 0 HE ARG A 137 -0.289 1.364 10.468 1.00 54.04 H new ATOM 0 HH11 ARG A 137 1.409 -1.636 9.710 1.00 61.32 H new ATOM 0 HH12 ARG A 137 0.086 -2.662 10.275 1.00 61.32 H new ATOM 0 HH21 ARG A 137 -1.984 0.040 11.191 1.00 1.30 H new ATOM 0 HH22 ARG A 137 -1.826 -1.718 11.109 1.00 1.30 H new ATOM 2051 N VAL A 138 1.562 -0.515 4.964 1.00 22.00 N ATOM 2052 CA VAL A 138 0.801 -1.547 4.268 1.00 31.41 C ATOM 2053 C VAL A 138 0.819 -2.859 5.044 1.00 65.14 C ATOM 2054 O VAL A 138 1.836 -3.236 5.626 1.00 72.41 O ATOM 2055 CB VAL A 138 1.355 -1.793 2.852 1.00 22.41 C ATOM 2056 CG1 VAL A 138 0.432 -2.717 2.071 1.00 12.42 C ATOM 2057 CG2 VAL A 138 1.547 -0.474 2.119 1.00 22.04 C ATOM 0 H VAL A 138 2.486 -0.812 5.279 1.00 22.00 H new ATOM 0 HA VAL A 138 -0.225 -1.187 4.191 1.00 31.41 H new ATOM 0 HB VAL A 138 2.327 -2.279 2.940 1.00 22.41 H new ATOM 0 HG11 VAL A 138 0.839 -2.880 1.073 1.00 12.42 H new ATOM 0 HG12 VAL A 138 0.350 -3.672 2.589 1.00 12.42 H new ATOM 0 HG13 VAL A 138 -0.555 -2.262 1.990 1.00 12.42 H new ATOM 0 HG21 VAL A 138 1.939 -0.666 1.120 1.00 22.04 H new ATOM 0 HG22 VAL A 138 0.590 0.041 2.040 1.00 22.04 H new ATOM 0 HG23 VAL A 138 2.250 0.150 2.671 1.00 22.04 H new ATOM 2067 N LEU A 139 -0.316 -3.553 5.047 1.00 11.25 N ATOM 2068 CA LEU A 139 -0.431 -4.825 5.752 1.00 44.25 C ATOM 2069 C LEU A 139 -1.419 -5.749 5.046 1.00 61.10 C ATOM 2070 O LEU A 139 -2.635 -5.573 5.122 1.00 51.31 O ATOM 2071 CB LEU A 139 -0.877 -4.592 7.196 1.00 10.42 C ATOM 2072 CG LEU A 139 -2.184 -3.821 7.380 1.00 24.44 C ATOM 2073 CD1 LEU A 139 -3.284 -4.748 7.874 1.00 52.02 C ATOM 2074 CD2 LEU A 139 -1.989 -2.660 8.345 1.00 45.30 C ATOM 0 H LEU A 139 -1.167 -3.256 4.570 1.00 11.25 H new ATOM 0 HA LEU A 139 0.549 -5.302 5.754 1.00 44.25 H new ATOM 0 HB2 LEU A 139 -0.979 -5.561 7.684 1.00 10.42 H new ATOM 0 HB3 LEU A 139 -0.085 -4.054 7.717 1.00 10.42 H new ATOM 0 HG LEU A 139 -2.484 -3.416 6.413 1.00 24.44 H new ATOM 0 HD11 LEU A 139 -4.207 -4.182 8.000 1.00 52.02 H new ATOM 0 HD12 LEU A 139 -3.442 -5.545 7.147 1.00 52.02 H new ATOM 0 HD13 LEU A 139 -2.992 -5.182 8.830 1.00 52.02 H new ATOM 0 HD21 LEU A 139 -2.930 -2.123 8.463 1.00 45.30 H new ATOM 0 HD22 LEU A 139 -1.665 -3.042 9.313 1.00 45.30 H new ATOM 0 HD23 LEU A 139 -1.232 -1.982 7.951 1.00 45.30 H new ATOM 2085 N PRO A 140 -0.885 -6.761 4.345 1.00 70.32 N ATOM 2086 CA PRO A 140 -1.702 -7.735 3.615 1.00 1.21 C ATOM 2087 C PRO A 140 -2.474 -8.660 4.549 1.00 24.54 C ATOM 2088 O PRO A 140 -1.977 -9.048 5.607 1.00 52.50 O ATOM 2089 CB PRO A 140 -0.671 -8.529 2.809 1.00 1.22 C ATOM 2090 CG PRO A 140 0.596 -8.396 3.579 1.00 10.54 C ATOM 2091 CD PRO A 140 0.555 -7.032 4.212 1.00 3.23 C ATOM 0 HA PRO A 140 -2.462 -7.251 3.002 1.00 1.21 H new ATOM 0 HB2 PRO A 140 -0.966 -9.574 2.709 1.00 1.22 H new ATOM 0 HB3 PRO A 140 -0.565 -8.130 1.800 1.00 1.22 H new ATOM 0 HG2 PRO A 140 0.676 -9.176 4.337 1.00 10.54 H new ATOM 0 HG3 PRO A 140 1.462 -8.497 2.925 1.00 10.54 H new ATOM 0 HD2 PRO A 140 1.057 -7.023 5.180 1.00 3.23 H new ATOM 0 HD3 PRO A 140 1.049 -6.285 3.590 1.00 3.23 H new ATOM 2096 N VAL A 141 -3.694 -9.011 4.153 1.00 1.22 N ATOM 2097 CA VAL A 141 -4.534 -9.893 4.953 1.00 75.52 C ATOM 2098 C VAL A 141 -4.762 -11.225 4.249 1.00 65.23 C ATOM 2099 O VAL A 141 -4.665 -12.288 4.862 1.00 4.41 O ATOM 2100 CB VAL A 141 -5.898 -9.245 5.258 1.00 55.32 C ATOM 2101 CG1 VAL A 141 -6.772 -10.192 6.065 1.00 33.33 C ATOM 2102 CG2 VAL A 141 -5.709 -7.925 5.990 1.00 21.44 C ATOM 0 H VAL A 141 -4.122 -8.697 3.282 1.00 1.22 H new ATOM 0 HA VAL A 141 -4.005 -10.068 5.890 1.00 75.52 H new ATOM 0 HB VAL A 141 -6.403 -9.041 4.314 1.00 55.32 H new ATOM 0 HG11 VAL A 141 -7.731 -9.716 6.270 1.00 33.33 H new ATOM 0 HG12 VAL A 141 -6.936 -11.108 5.498 1.00 33.33 H new ATOM 0 HG13 VAL A 141 -6.277 -10.431 7.006 1.00 33.33 H new ATOM 0 HG21 VAL A 141 -6.683 -7.481 6.197 1.00 21.44 H new ATOM 0 HG22 VAL A 141 -5.183 -8.101 6.928 1.00 21.44 H new ATOM 0 HG23 VAL A 141 -5.125 -7.245 5.369 1.00 21.44 H new ATOM 2112 N SER A 142 -5.068 -11.160 2.957 1.00 13.32 N ATOM 2113 CA SER A 142 -5.314 -12.361 2.168 1.00 10.30 C ATOM 2114 C SER A 142 -4.413 -12.396 0.937 1.00 4.10 C ATOM 2115 O SER A 142 -4.303 -11.412 0.206 1.00 40.22 O ATOM 2116 CB SER A 142 -6.782 -12.424 1.741 1.00 62.50 C ATOM 2117 OG SER A 142 -7.628 -11.894 2.747 1.00 61.14 O ATOM 0 H SER A 142 -5.151 -10.288 2.435 1.00 13.32 H new ATOM 0 HA SER A 142 -5.086 -13.227 2.789 1.00 10.30 H new ATOM 0 HB2 SER A 142 -6.919 -11.866 0.815 1.00 62.50 H new ATOM 0 HB3 SER A 142 -7.060 -13.458 1.535 1.00 62.50 H new ATOM 0 HG SER A 142 -8.561 -11.944 2.450 1.00 61.14 H new ATOM 2122 N TRP A 143 -3.771 -13.537 0.714 1.00 21.51 N ATOM 2123 CA TRP A 143 -2.880 -13.702 -0.428 1.00 1.04 C ATOM 2124 C TRP A 143 -3.140 -15.028 -1.136 1.00 75.41 C ATOM 2125 O TRP A 143 -3.816 -15.907 -0.598 1.00 55.40 O ATOM 2126 CB TRP A 143 -1.421 -13.629 0.023 1.00 13.43 C ATOM 2127 CG TRP A 143 -1.033 -14.732 0.962 1.00 51.21 C ATOM 2128 CD1 TRP A 143 -0.276 -15.830 0.668 1.00 62.11 C ATOM 2129 CD2 TRP A 143 -1.385 -14.842 2.345 1.00 63.21 C ATOM 2130 NE1 TRP A 143 -0.136 -16.617 1.786 1.00 42.34 N ATOM 2131 CE2 TRP A 143 -0.807 -16.033 2.828 1.00 0.24 C ATOM 2132 CE3 TRP A 143 -2.130 -14.051 3.224 1.00 64.34 C ATOM 2133 CZ2 TRP A 143 -0.953 -16.449 4.149 1.00 11.11 C ATOM 2134 CZ3 TRP A 143 -2.275 -14.466 4.534 1.00 14.13 C ATOM 2135 CH2 TRP A 143 -1.689 -15.655 4.986 1.00 12.01 C ATOM 0 H TRP A 143 -3.851 -14.362 1.309 1.00 21.51 H new ATOM 0 HA TRP A 143 -3.077 -12.892 -1.130 1.00 1.04 H new ATOM 0 HB2 TRP A 143 -0.775 -13.664 -0.854 1.00 13.43 H new ATOM 0 HB3 TRP A 143 -1.246 -12.669 0.509 1.00 13.43 H new ATOM 0 HD1 TRP A 143 0.150 -16.048 -0.300 1.00 62.11 H new ATOM 0 HE1 TRP A 143 0.383 -17.494 1.832 1.00 42.34 H new ATOM 0 HE3 TRP A 143 -2.584 -13.132 2.885 1.00 64.34 H new ATOM 0 HZ2 TRP A 143 -0.502 -17.365 4.500 1.00 11.11 H new ATOM 0 HZ3 TRP A 143 -2.850 -13.863 5.221 1.00 14.13 H new ATOM 0 HH2 TRP A 143 -1.821 -15.951 6.016 1.00 12.01 H new ATOM 2145 N HIS A 144 -2.600 -15.166 -2.342 1.00 64.34 N ATOM 2146 CA HIS A 144 -2.775 -16.386 -3.122 1.00 70.30 C ATOM 2147 C HIS A 144 -1.427 -16.932 -3.586 1.00 75.53 C ATOM 2148 O HIS A 144 -0.624 -16.210 -4.174 1.00 42.23 O ATOM 2149 CB HIS A 144 -3.673 -16.121 -4.330 1.00 71.13 C ATOM 2150 CG HIS A 144 -5.136 -16.226 -4.024 1.00 24.10 C ATOM 2151 ND1 HIS A 144 -5.765 -17.426 -3.763 1.00 63.22 N ATOM 2152 CD2 HIS A 144 -6.093 -15.274 -3.936 1.00 50.04 C ATOM 2153 CE1 HIS A 144 -7.047 -17.206 -3.530 1.00 5.33 C ATOM 2154 NE2 HIS A 144 -7.272 -15.908 -3.628 1.00 11.25 N ATOM 0 H HIS A 144 -2.038 -14.449 -2.800 1.00 64.34 H new ATOM 0 HA HIS A 144 -3.249 -17.131 -2.483 1.00 70.30 H new ATOM 0 HB2 HIS A 144 -3.462 -15.124 -4.717 1.00 71.13 H new ATOM 0 HB3 HIS A 144 -3.424 -16.829 -5.120 1.00 71.13 H new ATOM 0 HD2 HIS A 144 -5.956 -14.213 -4.081 1.00 50.04 H new ATOM 0 HE1 HIS A 144 -7.785 -17.959 -3.299 1.00 5.33 H new ATOM 0 HE2 HIS A 144 -8.174 -15.451 -3.496 1.00 11.25 H new ATOM 2161 N ASN A 145 -1.187 -18.211 -3.315 1.00 74.23 N ATOM 2162 CA ASN A 145 0.064 -18.853 -3.703 1.00 74.35 C ATOM 2163 C ASN A 145 1.199 -18.439 -2.771 1.00 73.13 C ATOM 2164 O ASN A 145 1.811 -19.278 -2.111 1.00 63.12 O ATOM 2165 CB ASN A 145 0.418 -18.494 -5.147 1.00 2.11 C ATOM 2166 CG ASN A 145 0.815 -19.709 -5.964 1.00 32.14 C ATOM 2167 OD1 ASN A 145 1.582 -20.555 -5.504 1.00 51.52 O ATOM 2168 ND2 ASN A 145 0.294 -19.799 -7.181 1.00 51.31 N ATOM 0 H ASN A 145 -1.842 -18.823 -2.828 1.00 74.23 H new ATOM 0 HA ASN A 145 -0.070 -19.932 -3.626 1.00 74.35 H new ATOM 0 HB2 ASN A 145 -0.436 -18.007 -5.617 1.00 2.11 H new ATOM 0 HB3 ASN A 145 1.237 -17.774 -5.149 1.00 2.11 H new ATOM 0 HD21 ASN A 145 0.525 -20.594 -7.777 1.00 51.31 H new ATOM 0 HD22 ASN A 145 -0.338 -19.073 -7.520 1.00 51.31 H new ATOM 2174 N ARG A 146 1.474 -17.140 -2.723 1.00 53.04 N ATOM 2175 CA ARG A 146 2.536 -16.614 -1.873 1.00 71.34 C ATOM 2176 C ARG A 146 2.658 -15.102 -2.028 1.00 52.50 C ATOM 2177 O ARG A 146 2.691 -14.583 -3.144 1.00 53.32 O ATOM 2178 CB ARG A 146 3.869 -17.282 -2.215 1.00 15.52 C ATOM 2179 CG ARG A 146 4.580 -17.876 -1.009 1.00 44.03 C ATOM 2180 CD ARG A 146 5.542 -16.880 -0.383 1.00 21.32 C ATOM 2181 NE ARG A 146 6.774 -17.521 0.072 1.00 41.22 N ATOM 2182 CZ ARG A 146 7.755 -17.888 -0.744 1.00 12.34 C ATOM 2183 NH1 ARG A 146 7.650 -17.679 -2.050 1.00 21.14 N ATOM 2184 NH2 ARG A 146 8.845 -18.465 -0.255 1.00 20.13 N ATOM 0 H ARG A 146 0.976 -16.432 -3.263 1.00 53.04 H new ATOM 0 HA ARG A 146 2.281 -16.836 -0.837 1.00 71.34 H new ATOM 0 HB2 ARG A 146 3.693 -18.070 -2.947 1.00 15.52 H new ATOM 0 HB3 ARG A 146 4.523 -16.548 -2.687 1.00 15.52 H new ATOM 0 HG2 ARG A 146 3.844 -18.187 -0.268 1.00 44.03 H new ATOM 0 HG3 ARG A 146 5.126 -18.770 -1.311 1.00 44.03 H new ATOM 0 HD2 ARG A 146 5.784 -16.104 -1.109 1.00 21.32 H new ATOM 0 HD3 ARG A 146 5.057 -16.388 0.460 1.00 21.32 H new ATOM 0 HE ARG A 146 6.886 -17.696 1.071 1.00 41.22 H new ATOM 0 HH11 ARG A 146 6.814 -17.235 -2.430 1.00 21.14 H new ATOM 0 HH12 ARG A 146 8.405 -17.962 -2.674 1.00 21.14 H new ATOM 0 HH21 ARG A 146 8.930 -18.627 0.748 1.00 20.13 H new ATOM 0 HH22 ARG A 146 9.598 -18.747 -0.883 1.00 20.13 H new ATOM 2195 N ILE A 147 2.724 -14.400 -0.901 1.00 12.10 N ATOM 2196 CA ILE A 147 2.843 -12.947 -0.913 1.00 34.42 C ATOM 2197 C ILE A 147 4.035 -12.499 -1.751 1.00 1.13 C ATOM 2198 O ILE A 147 5.169 -12.465 -1.272 1.00 21.31 O ATOM 2199 CB ILE A 147 2.992 -12.384 0.513 1.00 35.31 C ATOM 2200 CG1 ILE A 147 1.853 -12.883 1.404 1.00 33.42 C ATOM 2201 CG2 ILE A 147 3.020 -10.863 0.481 1.00 71.54 C ATOM 2202 CD1 ILE A 147 2.229 -14.077 2.254 1.00 54.03 C ATOM 0 H ILE A 147 2.697 -14.814 0.031 1.00 12.10 H new ATOM 0 HA ILE A 147 1.926 -12.559 -1.355 1.00 34.42 H new ATOM 0 HB ILE A 147 3.935 -12.737 0.931 1.00 35.31 H new ATOM 0 HG12 ILE A 147 1.530 -12.071 2.055 1.00 33.42 H new ATOM 0 HG13 ILE A 147 1.001 -13.147 0.777 1.00 33.42 H new ATOM 0 HG21 ILE A 147 3.126 -10.480 1.496 1.00 71.54 H new ATOM 0 HG22 ILE A 147 3.863 -10.527 -0.123 1.00 71.54 H new ATOM 0 HG23 ILE A 147 2.092 -10.491 0.047 1.00 71.54 H new ATOM 0 HD11 ILE A 147 1.374 -14.376 2.860 1.00 54.03 H new ATOM 0 HD12 ILE A 147 2.524 -14.904 1.609 1.00 54.03 H new ATOM 0 HD13 ILE A 147 3.061 -13.812 2.907 1.00 54.03 H new ATOM 2213 N THR A 148 3.771 -12.155 -3.008 1.00 53.42 N ATOM 2214 CA THR A 148 4.822 -11.708 -3.914 1.00 72.22 C ATOM 2215 C THR A 148 4.319 -10.603 -4.836 1.00 12.20 C ATOM 2216 O THR A 148 3.605 -10.865 -5.805 1.00 3.45 O ATOM 2217 CB THR A 148 5.357 -12.871 -4.770 1.00 10.32 C ATOM 2218 OG1 THR A 148 5.222 -14.106 -4.057 1.00 43.41 O ATOM 2219 CG2 THR A 148 6.818 -12.647 -5.134 1.00 63.33 C ATOM 0 H THR A 148 2.839 -12.177 -3.421 1.00 53.42 H new ATOM 0 HA THR A 148 5.631 -11.321 -3.294 1.00 72.22 H new ATOM 0 HB THR A 148 4.772 -12.916 -5.689 1.00 10.32 H new ATOM 0 HG1 THR A 148 4.273 -14.290 -3.898 1.00 43.41 H new ATOM 0 HG21 THR A 148 7.174 -13.481 -5.739 1.00 63.33 H new ATOM 0 HG22 THR A 148 6.914 -11.721 -5.701 1.00 63.33 H new ATOM 0 HG23 THR A 148 7.413 -12.578 -4.224 1.00 63.33 H new ATOM 2227 N LEU A 149 4.695 -9.366 -4.530 1.00 13.00 N ATOM 2228 CA LEU A 149 4.283 -8.220 -5.333 1.00 21.21 C ATOM 2229 C LEU A 149 5.251 -7.055 -5.156 1.00 71.11 C ATOM 2230 O LEU A 149 6.238 -7.160 -4.428 1.00 12.41 O ATOM 2231 CB LEU A 149 2.868 -7.785 -4.947 1.00 42.54 C ATOM 2232 CG LEU A 149 2.726 -7.085 -3.596 1.00 60.53 C ATOM 2233 CD1 LEU A 149 1.387 -6.367 -3.505 1.00 30.55 C ATOM 2234 CD2 LEU A 149 2.875 -8.085 -2.459 1.00 13.03 C ATOM 0 H LEU A 149 5.285 -9.131 -3.731 1.00 13.00 H new ATOM 0 HA LEU A 149 4.292 -8.520 -6.381 1.00 21.21 H new ATOM 0 HB2 LEU A 149 2.491 -7.117 -5.721 1.00 42.54 H new ATOM 0 HB3 LEU A 149 2.226 -8.666 -4.946 1.00 42.54 H new ATOM 0 HG LEU A 149 3.520 -6.343 -3.507 1.00 60.53 H new ATOM 0 HD11 LEU A 149 1.303 -5.874 -2.536 1.00 30.55 H new ATOM 0 HD12 LEU A 149 1.319 -5.622 -4.298 1.00 30.55 H new ATOM 0 HD13 LEU A 149 0.578 -7.090 -3.615 1.00 30.55 H new ATOM 0 HD21 LEU A 149 2.771 -7.569 -1.505 1.00 13.03 H new ATOM 0 HD22 LEU A 149 2.103 -8.850 -2.544 1.00 13.03 H new ATOM 0 HD23 LEU A 149 3.858 -8.554 -2.513 1.00 13.03 H new ATOM 2245 N ARG A 150 4.960 -5.944 -5.824 1.00 44.53 N ATOM 2246 CA ARG A 150 5.804 -4.759 -5.740 1.00 54.45 C ATOM 2247 C ARG A 150 4.965 -3.487 -5.813 1.00 74.14 C ATOM 2248 O ARG A 150 4.437 -3.136 -6.870 1.00 22.44 O ATOM 2249 CB ARG A 150 6.840 -4.762 -6.866 1.00 5.21 C ATOM 2250 CG ARG A 150 6.336 -5.390 -8.156 1.00 74.42 C ATOM 2251 CD ARG A 150 6.897 -4.680 -9.377 1.00 65.32 C ATOM 2252 NE ARG A 150 6.544 -3.263 -9.398 1.00 41.03 N ATOM 2253 CZ ARG A 150 6.755 -2.468 -10.440 1.00 44.34 C ATOM 2254 NH1 ARG A 150 7.314 -2.949 -11.543 1.00 70.21 N ATOM 2255 NH2 ARG A 150 6.406 -1.189 -10.383 1.00 74.21 N ATOM 0 H ARG A 150 4.146 -5.840 -6.430 1.00 44.53 H new ATOM 0 HA ARG A 150 6.320 -4.780 -4.780 1.00 54.45 H new ATOM 0 HB2 ARG A 150 7.148 -3.736 -7.067 1.00 5.21 H new ATOM 0 HB3 ARG A 150 7.726 -5.301 -6.531 1.00 5.21 H new ATOM 0 HG2 ARG A 150 6.618 -6.442 -8.184 1.00 74.42 H new ATOM 0 HG3 ARG A 150 5.247 -5.351 -8.180 1.00 74.42 H new ATOM 0 HD2 ARG A 150 7.982 -4.783 -9.389 1.00 65.32 H new ATOM 0 HD3 ARG A 150 6.521 -5.160 -10.280 1.00 65.32 H new ATOM 0 HE ARG A 150 6.111 -2.862 -8.566 1.00 41.03 H new ATOM 0 HH11 ARG A 150 7.583 -3.932 -11.592 1.00 70.21 H new ATOM 0 HH12 ARG A 150 7.475 -2.336 -12.342 1.00 70.21 H new ATOM 0 HH21 ARG A 150 5.975 -0.815 -9.538 1.00 74.21 H new ATOM 0 HH22 ARG A 150 6.569 -0.580 -11.185 1.00 74.21 H new ATOM 2266 N LEU A 151 4.844 -2.799 -4.682 1.00 62.24 N ATOM 2267 CA LEU A 151 4.066 -1.565 -4.616 1.00 10.34 C ATOM 2268 C LEU A 151 4.960 -0.348 -4.830 1.00 51.32 C ATOM 2269 O LEU A 151 5.938 -0.149 -4.109 1.00 71.50 O ATOM 2270 CB LEU A 151 3.355 -1.460 -3.267 1.00 54.25 C ATOM 2271 CG LEU A 151 2.422 -0.261 -3.093 1.00 72.25 C ATOM 2272 CD1 LEU A 151 3.215 0.985 -2.730 1.00 73.33 C ATOM 2273 CD2 LEU A 151 1.610 -0.028 -4.358 1.00 71.53 C ATOM 0 H LEU A 151 5.274 -3.074 -3.799 1.00 62.24 H new ATOM 0 HA LEU A 151 3.321 -1.590 -5.411 1.00 10.34 H new ATOM 0 HB2 LEU A 151 2.777 -2.371 -3.112 1.00 54.25 H new ATOM 0 HB3 LEU A 151 4.111 -1.424 -2.482 1.00 54.25 H new ATOM 0 HG LEU A 151 1.732 -0.478 -2.277 1.00 72.25 H new ATOM 0 HD11 LEU A 151 2.534 1.828 -2.610 1.00 73.33 H new ATOM 0 HD12 LEU A 151 3.751 0.816 -1.796 1.00 73.33 H new ATOM 0 HD13 LEU A 151 3.929 1.206 -3.523 1.00 73.33 H new ATOM 0 HD21 LEU A 151 0.952 0.829 -4.215 1.00 71.53 H new ATOM 0 HD22 LEU A 151 2.284 0.167 -5.192 1.00 71.53 H new ATOM 0 HD23 LEU A 151 1.011 -0.913 -4.574 1.00 71.53 H new ATOM 2284 N GLU A 152 4.615 0.465 -5.823 1.00 53.31 N ATOM 2285 CA GLU A 152 5.386 1.665 -6.130 1.00 12.33 C ATOM 2286 C GLU A 152 4.498 2.905 -6.099 1.00 74.25 C ATOM 2287 O GLU A 152 3.336 2.861 -6.505 1.00 74.14 O ATOM 2288 CB GLU A 152 6.050 1.535 -7.503 1.00 32.43 C ATOM 2289 CG GLU A 152 7.544 1.265 -7.432 1.00 23.21 C ATOM 2290 CD GLU A 152 8.138 0.915 -8.784 1.00 73.53 C ATOM 2291 OE1 GLU A 152 7.909 1.676 -9.746 1.00 13.43 O ATOM 2292 OE2 GLU A 152 8.829 -0.120 -8.878 1.00 34.25 O ATOM 0 H GLU A 152 3.808 0.315 -6.428 1.00 53.31 H new ATOM 0 HA GLU A 152 6.159 1.773 -5.369 1.00 12.33 H new ATOM 0 HB2 GLU A 152 5.569 0.728 -8.055 1.00 32.43 H new ATOM 0 HB3 GLU A 152 5.881 2.452 -8.067 1.00 32.43 H new ATOM 0 HG2 GLU A 152 8.050 2.144 -7.034 1.00 23.21 H new ATOM 0 HG3 GLU A 152 7.729 0.448 -6.735 1.00 23.21 H new ATOM 2297 N LEU A 153 5.052 4.011 -5.613 1.00 11.24 N ATOM 2298 CA LEU A 153 4.311 5.264 -5.528 1.00 13.02 C ATOM 2299 C LEU A 153 4.911 6.316 -6.456 1.00 44.53 C ATOM 2300 O LEU A 153 6.131 6.447 -6.558 1.00 42.11 O ATOM 2301 CB LEU A 153 4.310 5.781 -4.088 1.00 74.22 C ATOM 2302 CG LEU A 153 5.682 6.056 -3.472 1.00 22.40 C ATOM 2303 CD1 LEU A 153 6.038 7.528 -3.595 1.00 40.51 C ATOM 2304 CD2 LEU A 153 5.708 5.619 -2.014 1.00 75.41 C ATOM 0 H LEU A 153 6.012 4.065 -5.272 1.00 11.24 H new ATOM 0 HA LEU A 153 3.285 5.072 -5.841 1.00 13.02 H new ATOM 0 HB2 LEU A 153 3.728 6.702 -4.054 1.00 74.22 H new ATOM 0 HB3 LEU A 153 3.792 5.054 -3.463 1.00 74.22 H new ATOM 0 HG LEU A 153 6.427 5.477 -4.018 1.00 22.40 H new ATOM 0 HD11 LEU A 153 7.018 7.704 -3.151 1.00 40.51 H new ATOM 0 HD12 LEU A 153 6.061 7.810 -4.648 1.00 40.51 H new ATOM 0 HD13 LEU A 153 5.291 8.128 -3.075 1.00 40.51 H new ATOM 0 HD21 LEU A 153 6.692 5.822 -1.591 1.00 75.41 H new ATOM 0 HD22 LEU A 153 4.952 6.171 -1.455 1.00 75.41 H new ATOM 0 HD23 LEU A 153 5.499 4.551 -1.950 1.00 75.41 H new ATOM 2315 N LEU A 154 4.045 7.064 -7.132 1.00 75.33 N ATOM 2316 CA LEU A 154 4.488 8.106 -8.051 1.00 31.31 C ATOM 2317 C LEU A 154 3.951 9.470 -7.627 1.00 2.22 C ATOM 2318 O LEU A 154 2.863 9.572 -7.061 1.00 24.12 O ATOM 2319 CB LEU A 154 4.032 7.785 -9.475 1.00 40.21 C ATOM 2320 CG LEU A 154 4.194 6.331 -9.920 1.00 12.14 C ATOM 2321 CD1 LEU A 154 2.845 5.731 -10.287 1.00 15.30 C ATOM 2322 CD2 LEU A 154 5.160 6.236 -11.092 1.00 71.24 C ATOM 0 H LEU A 154 3.032 6.968 -7.061 1.00 75.33 H new ATOM 0 HA LEU A 154 5.577 8.141 -8.025 1.00 31.31 H new ATOM 0 HB2 LEU A 154 2.981 8.058 -9.569 1.00 40.21 H new ATOM 0 HB3 LEU A 154 4.588 8.419 -10.165 1.00 40.21 H new ATOM 0 HG LEU A 154 4.607 5.761 -9.088 1.00 12.14 H new ATOM 0 HD11 LEU A 154 2.980 4.696 -10.601 1.00 15.30 H new ATOM 0 HD12 LEU A 154 2.184 5.764 -9.421 1.00 15.30 H new ATOM 0 HD13 LEU A 154 2.402 6.303 -11.103 1.00 15.30 H new ATOM 0 HD21 LEU A 154 5.263 5.194 -11.395 1.00 71.24 H new ATOM 0 HD22 LEU A 154 4.776 6.821 -11.928 1.00 71.24 H new ATOM 0 HD23 LEU A 154 6.134 6.625 -10.794 1.00 71.24 H new ATOM 2333 N GLY A 155 4.721 10.517 -7.909 1.00 64.42 N ATOM 2334 CA GLY A 155 4.304 11.861 -7.553 1.00 33.34 C ATOM 2335 C GLY A 155 4.380 12.820 -8.724 1.00 70.42 C ATOM 2336 O GLY A 155 4.595 12.406 -9.863 1.00 2.43 O ATOM 0 H GLY A 155 5.625 10.458 -8.377 1.00 64.42 H new ATOM 0 HA2 GLY A 155 3.282 11.833 -7.176 1.00 33.34 H new ATOM 0 HA3 GLY A 155 4.933 12.231 -6.743 1.00 33.34 H new ATOM 2340 N CYS A 156 4.199 14.107 -8.444 1.00 45.32 N ATOM 2341 CA CYS A 156 4.245 15.129 -9.484 1.00 33.43 C ATOM 2342 C CYS A 156 5.589 15.853 -9.475 1.00 24.31 C ATOM 2343 O CYS A 156 5.962 16.503 -10.452 1.00 55.12 O ATOM 2344 CB CYS A 156 3.110 16.136 -9.287 1.00 51.14 C ATOM 2345 SG CYS A 156 1.859 16.114 -10.611 1.00 65.00 S ATOM 0 H CYS A 156 4.019 14.467 -7.507 1.00 45.32 H new ATOM 0 HA CYS A 156 4.123 14.637 -10.449 1.00 33.43 H new ATOM 0 HB2 CYS A 156 2.620 15.933 -8.335 1.00 51.14 H new ATOM 0 HB3 CYS A 156 3.535 17.138 -9.220 1.00 51.14 H new ATOM 2349 N LEU A 157 6.311 15.733 -8.367 1.00 1.32 N ATOM 2350 CA LEU A 157 7.614 16.375 -8.231 1.00 4.33 C ATOM 2351 C LEU A 157 7.530 17.858 -8.578 1.00 22.11 C ATOM 2352 O LEU A 157 8.497 18.448 -9.059 1.00 33.10 O ATOM 2353 CB LEU A 157 8.640 15.686 -9.133 1.00 0.42 C ATOM 2354 CG LEU A 157 10.019 15.440 -8.516 1.00 62.45 C ATOM 2355 CD1 LEU A 157 10.626 16.745 -8.028 1.00 51.32 C ATOM 2356 CD2 LEU A 157 9.920 14.436 -7.376 1.00 62.13 C ATOM 0 H LEU A 157 6.017 15.198 -7.550 1.00 1.32 H new ATOM 0 HA LEU A 157 7.931 16.282 -7.192 1.00 4.33 H new ATOM 0 HB2 LEU A 157 8.230 14.727 -9.450 1.00 0.42 H new ATOM 0 HB3 LEU A 157 8.768 16.290 -10.031 1.00 0.42 H new ATOM 0 HG LEU A 157 10.672 15.025 -9.284 1.00 62.45 H new ATOM 0 HD11 LEU A 157 11.606 16.550 -7.593 1.00 51.32 H new ATOM 0 HD12 LEU A 157 10.732 17.433 -8.867 1.00 51.32 H new ATOM 0 HD13 LEU A 157 9.976 17.189 -7.274 1.00 51.32 H new ATOM 0 HD21 LEU A 157 10.909 14.272 -6.948 1.00 62.13 H new ATOM 0 HD22 LEU A 157 9.252 14.823 -6.607 1.00 62.13 H new ATOM 0 HD23 LEU A 157 9.528 13.492 -7.755 1.00 62.13 H new ATOM 2367 N GLU A 158 6.368 18.453 -8.330 1.00 51.20 N ATOM 2368 CA GLU A 158 6.159 19.868 -8.615 1.00 50.22 C ATOM 2369 C GLU A 158 6.803 20.740 -7.542 1.00 71.55 C ATOM 2370 O GLU A 158 6.269 21.787 -7.176 1.00 62.14 O ATOM 2371 CB GLU A 158 4.663 20.176 -8.710 1.00 35.25 C ATOM 2372 CG GLU A 158 4.330 21.273 -9.707 1.00 1.31 C ATOM 2373 CD GLU A 158 3.197 20.889 -10.639 1.00 4.41 C ATOM 2374 OE1 GLU A 158 2.051 20.761 -10.158 1.00 5.31 O ATOM 2375 OE2 GLU A 158 3.456 20.716 -11.849 1.00 54.33 O ATOM 0 H GLU A 158 5.557 17.978 -7.933 1.00 51.20 H new ATOM 0 HA GLU A 158 6.630 20.093 -9.572 1.00 50.22 H new ATOM 0 HB2 GLU A 158 4.131 19.267 -8.991 1.00 35.25 H new ATOM 0 HB3 GLU A 158 4.297 20.468 -7.726 1.00 35.25 H new ATOM 0 HG2 GLU A 158 4.060 22.180 -9.167 1.00 1.31 H new ATOM 0 HG3 GLU A 158 5.217 21.505 -10.296 1.00 1.31 H new