USER MOD reduce.3.24.130724 H: found=0, std=0, add=1065, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1067 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 83 SER OG : rot -114:sc= 1.25 USER MOD Set 1.2: A 96 TYR OH : rot -127:sc= 1.21 USER MOD Set 1.3: A 119 TYR OH : rot -154:sc= 1.16 USER MOD Set 2.1: A 82 THR OG1 : rot 64:sc= 0.696 USER MOD Set 2.2: A 85 LYS NZ :NH3+ 157:sc= 1.21 (180deg=0) USER MOD Set 2.3: A 99 ASN : amide:sc= -0.179 K(o=1.7,f=-5!) USER MOD Set 3.1: A 54 LYS NZ :NH3+ -168:sc= 1.16 (180deg=-0.173) USER MOD Set 3.2: A 55 ASN : amide:sc= -0.794! C(o=0.36!,f=-13!) USER MOD Set 4.1: A 40 TYR OH : rot 180:sc= 0.0229 USER MOD Set 4.2: A 110 THR OG1 : rot 154:sc= -0.0853 USER MOD Single : A 8 GLN :FLIP amide:sc= 0 F(o=-0.65,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00409) USER MOD Single : A 14 GLN :FLIP amide:sc= -0.0133 F(o=-1.3,f=-0.013) USER MOD Single : A 18 LYS NZ :NH3+ -163:sc= 0.0275 (180deg=0.00215) USER MOD Single : A 21 ASN : amide:sc= 1.11 K(o=1.1,f=-0.03) USER MOD Single : A 24 ASN : amide:sc= -1.3 X(o=-1.3,f=-1.4) USER MOD Single : A 25 TYR OH : rot 70:sc= -0.0513 USER MOD Single : A 26 GLN :FLIP amide:sc= 0 F(o=-0.75,f=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 108:sc= 1.23 USER MOD Single : A 33 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00577) USER MOD Single : A 35 HIS : no HD1:sc= 0.746 K(o=0.75,f=-2.5!) USER MOD Single : A 36 ASN : amide:sc= -0.563 K(o=-0.56,f=-3.6!) USER MOD Single : A 38 SER OG : rot -67:sc= 0.742 USER MOD Single : A 39 HIS : no HD1:sc= -0.438 X(o=-0.44,f=-0.66) USER MOD Single : A 42 TYR OH : rot 180:sc= 0.918 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0156 USER MOD Single : A 48 ASN :FLIP amide:sc= -0.2 F(o=-1.8,f=-0.2) USER MOD Single : A 50 HIS : no HD1:sc= -0.19 X(o=-0.19,f=0.0061) USER MOD Single : A 57 ASN : amide:sc= -0.203 K(o=-0.2,f=-2.5) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -134:sc= -0.0696 (180deg=-0.393) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0597) USER MOD Single : A 73 SER OG : rot 180:sc= -0.0041 USER MOD Single : A 74 LYS NZ :NH3+ 168:sc= -0.0387 (180deg=-0.25) USER MOD Single : A 77 HIS : no HE2:sc= 0.685 K(o=0.69,f=-2.1!) USER MOD Single : A 81 THR OG1 : rot 71:sc= 0.463 USER MOD Single : A 84 ASN : amide:sc=-0.00928 K(o=-0.0093,f=-1.1) USER MOD Single : A 87 LYS NZ :NH3+ 155:sc= -0.819! (180deg=-1.81!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 89:sc= 1.27 USER MOD Single : A 94 GLN : amide:sc= -0.339 K(o=-0.34,f=-1.6!) USER MOD Single : A 102 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0449) USER MOD Single : A 111 ASN : amide:sc= -2.55! C(o=-2.5!,f=-6.8!) USER MOD Single : A 113 HIS : no HD1:sc=-0.00349 X(o=-0.0035,f=-0.0035) USER MOD Single : A 115 GLN : amide:sc= -0.439 K(o=-0.44,f=-3.5!) USER MOD Single : A 116 LYS NZ :NH3+ 167:sc= 0.853 (180deg=0.661) USER MOD Single : A 118 TYR OH : rot 42:sc= 0.239 USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 63:sc= 0.243 USER MOD Single : A 124 ASN : amide:sc= 0.983 K(o=0.98,f=-5.4!) USER MOD Single : A 125 SER OG : rot -4:sc= 0.187 USER MOD Single : A 129 THR OG1 : rot -122:sc= -0.898 USER MOD Single : A 131 SER OG : rot 16:sc= 1.21 USER MOD Single : A 133 GLN : amide:sc= -0.0565 K(o=-0.056,f=-0.96) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 7 -6.150 14.867 -15.188 1.00 0.00 N ATOM 2 CA ASP A 7 -6.676 13.540 -14.924 1.00 0.00 C ATOM 3 C ASP A 7 -6.315 13.146 -13.500 1.00 0.00 C ATOM 4 O ASP A 7 -5.157 13.254 -13.097 1.00 0.00 O ATOM 5 CB ASP A 7 -6.133 12.512 -15.916 1.00 0.00 C ATOM 6 CG ASP A 7 -6.790 11.158 -15.748 1.00 0.00 C ATOM 7 OD1 ASP A 7 -6.384 10.407 -14.842 1.00 0.00 O ATOM 8 OD2 ASP A 7 -7.724 10.843 -16.518 1.00 0.00 O ATOM 0 HA ASP A 7 -7.759 13.560 -15.043 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -6.294 12.869 -16.933 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -5.056 12.412 -15.781 1.00 0.00 H new ATOM 13 N GLN A 8 -7.306 12.699 -12.745 1.00 0.00 N ATOM 14 CA GLN A 8 -7.151 12.480 -11.311 1.00 0.00 C ATOM 15 C GLN A 8 -6.128 11.378 -11.004 1.00 0.00 C ATOM 16 O GLN A 8 -5.536 11.359 -9.921 1.00 0.00 O ATOM 17 CB GLN A 8 -8.510 12.153 -10.687 1.00 0.00 C ATOM 18 CG GLN A 8 -8.534 12.253 -9.169 1.00 0.00 C ATOM 19 CD GLN A 8 -9.943 12.204 -8.604 1.00 0.00 C ATOM 20 OE1 GLN A 8 -10.833 11.499 -9.287 1.00 0.00 O flip ATOM 21 NE2 GLN A 8 -10.228 12.795 -7.561 1.00 0.00 N flip ATOM 0 H GLN A 8 -8.235 12.478 -13.103 1.00 0.00 H new ATOM 0 HA GLN A 8 -6.766 13.399 -10.870 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -9.259 12.830 -11.097 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -8.799 11.143 -10.979 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -7.948 11.438 -8.745 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -8.055 13.183 -8.862 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -9.513 13.327 -7.065 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -11.179 12.752 -7.194 1.00 0.00 H new ATOM 30 N VAL A 9 -5.900 10.485 -11.963 1.00 0.00 N ATOM 31 CA VAL A 9 -4.920 9.420 -11.791 1.00 0.00 C ATOM 32 C VAL A 9 -3.517 10.006 -11.635 1.00 0.00 C ATOM 33 O VAL A 9 -2.710 9.513 -10.845 1.00 0.00 O ATOM 34 CB VAL A 9 -4.948 8.429 -12.979 1.00 0.00 C ATOM 35 CG1 VAL A 9 -3.841 7.391 -12.861 1.00 0.00 C ATOM 36 CG2 VAL A 9 -6.305 7.746 -13.072 1.00 0.00 C ATOM 0 H VAL A 9 -6.379 10.478 -12.863 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.183 8.873 -10.886 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.778 9.000 -13.892 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.888 6.710 -13.711 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.873 7.891 -12.850 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.968 6.827 -11.937 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.306 7.053 -13.913 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -6.501 7.199 -12.150 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.081 8.497 -13.220 1.00 0.00 H new ATOM 46 N VAL A 10 -3.251 11.086 -12.362 1.00 0.00 N ATOM 47 CA VAL A 10 -1.951 11.748 -12.311 1.00 0.00 C ATOM 48 C VAL A 10 -1.658 12.270 -10.906 1.00 0.00 C ATOM 49 O VAL A 10 -0.541 12.138 -10.407 1.00 0.00 O ATOM 50 CB VAL A 10 -1.873 12.921 -13.315 1.00 0.00 C ATOM 51 CG1 VAL A 10 -0.522 13.619 -13.237 1.00 0.00 C ATOM 52 CG2 VAL A 10 -2.136 12.435 -14.730 1.00 0.00 C ATOM 0 H VAL A 10 -3.920 11.523 -12.996 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.204 11.002 -12.583 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.645 13.642 -13.047 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.495 14.440 -13.954 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.372 14.011 -12.231 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.269 12.907 -13.471 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.076 13.276 -15.421 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.390 11.688 -15.003 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.130 11.991 -14.783 1.00 0.00 H new ATOM 62 N ILE A 11 -2.676 12.841 -10.269 1.00 0.00 N ATOM 63 CA ILE A 11 -2.522 13.417 -8.937 1.00 0.00 C ATOM 64 C ILE A 11 -2.124 12.347 -7.925 1.00 0.00 C ATOM 65 O ILE A 11 -1.105 12.474 -7.245 1.00 0.00 O ATOM 66 CB ILE A 11 -3.818 14.129 -8.453 1.00 0.00 C ATOM 67 CG1 ILE A 11 -4.061 15.435 -9.223 1.00 0.00 C ATOM 68 CG2 ILE A 11 -3.750 14.417 -6.958 1.00 0.00 C ATOM 69 CD1 ILE A 11 -4.497 15.244 -10.660 1.00 0.00 C ATOM 0 H ILE A 11 -3.617 12.917 -10.654 1.00 0.00 H new ATOM 0 HA ILE A 11 -1.730 14.163 -9.009 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.652 13.455 -8.648 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.822 16.014 -8.700 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.145 16.026 -9.210 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.666 14.915 -6.641 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -3.639 13.480 -6.412 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -2.896 15.062 -6.750 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.646 16.217 -11.128 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.729 14.694 -11.203 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.431 14.683 -10.685 1.00 0.00 H new ATOM 81 N PHE A 12 -2.916 11.287 -7.847 1.00 0.00 N ATOM 82 CA PHE A 12 -2.662 10.223 -6.883 1.00 0.00 C ATOM 83 C PHE A 12 -1.369 9.479 -7.200 1.00 0.00 C ATOM 84 O PHE A 12 -0.601 9.143 -6.296 1.00 0.00 O ATOM 85 CB PHE A 12 -3.835 9.247 -6.833 1.00 0.00 C ATOM 86 CG PHE A 12 -5.051 9.808 -6.158 1.00 0.00 C ATOM 87 CD1 PHE A 12 -5.135 9.832 -4.777 1.00 0.00 C ATOM 88 CD2 PHE A 12 -6.108 10.311 -6.900 1.00 0.00 C ATOM 89 CE1 PHE A 12 -6.249 10.350 -4.147 1.00 0.00 C ATOM 90 CE2 PHE A 12 -7.224 10.829 -6.274 1.00 0.00 C ATOM 91 CZ PHE A 12 -7.295 10.850 -4.897 1.00 0.00 C ATOM 0 H PHE A 12 -3.736 11.140 -8.436 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.551 10.688 -5.904 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -4.096 8.953 -7.850 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -3.523 8.343 -6.310 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -4.320 9.441 -4.185 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -6.058 10.298 -7.979 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -6.302 10.364 -3.068 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -8.042 11.218 -6.863 1.00 0.00 H new ATOM 0 HZ PHE A 12 -8.167 11.257 -4.406 1.00 0.00 H new ATOM 101 N LYS A 13 -1.120 9.234 -8.483 1.00 0.00 N ATOM 102 CA LYS A 13 0.091 8.534 -8.898 1.00 0.00 C ATOM 103 C LYS A 13 1.322 9.336 -8.508 1.00 0.00 C ATOM 104 O LYS A 13 2.333 8.772 -8.115 1.00 0.00 O ATOM 105 CB LYS A 13 0.087 8.286 -10.409 1.00 0.00 C ATOM 106 CG LYS A 13 1.141 7.288 -10.867 1.00 0.00 C ATOM 107 CD LYS A 13 1.259 7.264 -12.382 1.00 0.00 C ATOM 108 CE LYS A 13 2.083 8.437 -12.893 1.00 0.00 C ATOM 109 NZ LYS A 13 3.541 8.214 -12.704 1.00 0.00 N ATOM 0 H LYS A 13 -1.736 9.508 -9.249 1.00 0.00 H new ATOM 0 HA LYS A 13 0.117 7.570 -8.390 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.897 7.924 -10.706 1.00 0.00 H new ATOM 0 HB3 LYS A 13 0.247 9.233 -10.924 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.105 7.548 -10.429 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.884 6.293 -10.505 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.720 6.328 -12.698 1.00 0.00 H new ATOM 0 HD3 LYS A 13 0.264 7.295 -12.827 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.874 8.594 -13.951 1.00 0.00 H new ATOM 0 HE3 LYS A 13 1.784 9.346 -12.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.069 9.020 -13.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.750 8.123 -11.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.825 7.343 -13.195 1.00 0.00 H new ATOM 123 N GLN A 14 1.208 10.655 -8.599 1.00 0.00 N ATOM 124 CA GLN A 14 2.299 11.563 -8.262 1.00 0.00 C ATOM 125 C GLN A 14 2.665 11.447 -6.782 1.00 0.00 C ATOM 126 O GLN A 14 3.841 11.502 -6.414 1.00 0.00 O ATOM 127 CB GLN A 14 1.886 12.997 -8.603 1.00 0.00 C ATOM 128 CG GLN A 14 2.971 14.037 -8.378 1.00 0.00 C ATOM 129 CD GLN A 14 2.518 15.430 -8.774 1.00 0.00 C ATOM 130 OE1 GLN A 14 1.643 15.511 -9.769 1.00 0.00 O flip ATOM 131 NE2 GLN A 14 2.953 16.425 -8.194 1.00 0.00 N flip ATOM 0 H GLN A 14 0.358 11.126 -8.908 1.00 0.00 H new ATOM 0 HA GLN A 14 3.180 11.293 -8.844 1.00 0.00 H new ATOM 0 HB2 GLN A 14 1.577 13.034 -9.648 1.00 0.00 H new ATOM 0 HB3 GLN A 14 1.016 13.263 -8.003 1.00 0.00 H new ATOM 0 HG2 GLN A 14 3.261 14.036 -7.327 1.00 0.00 H new ATOM 0 HG3 GLN A 14 3.856 13.767 -8.954 1.00 0.00 H new ATOM 0 HE21 GLN A 14 3.625 16.319 -7.434 1.00 0.00 H new ATOM 0 HE22 GLN A 14 2.642 17.355 -8.474 1.00 0.00 H new ATOM 140 N ILE A 15 1.649 11.270 -5.943 1.00 0.00 N ATOM 141 CA ILE A 15 1.858 11.113 -4.507 1.00 0.00 C ATOM 142 C ILE A 15 2.715 9.880 -4.230 1.00 0.00 C ATOM 143 O ILE A 15 3.735 9.956 -3.539 1.00 0.00 O ATOM 144 CB ILE A 15 0.513 10.982 -3.758 1.00 0.00 C ATOM 145 CG1 ILE A 15 -0.390 12.176 -4.076 1.00 0.00 C ATOM 146 CG2 ILE A 15 0.748 10.877 -2.256 1.00 0.00 C ATOM 147 CD1 ILE A 15 -1.778 12.065 -3.482 1.00 0.00 C ATOM 0 H ILE A 15 0.672 11.232 -6.233 1.00 0.00 H new ATOM 0 HA ILE A 15 2.372 12.004 -4.146 1.00 0.00 H new ATOM 0 HB ILE A 15 0.016 10.072 -4.093 1.00 0.00 H new ATOM 0 HG12 ILE A 15 0.082 13.086 -3.706 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.475 12.278 -5.158 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.210 10.785 -1.743 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.359 9.999 -2.044 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.263 11.771 -1.905 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.360 12.947 -3.750 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.270 11.174 -3.871 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.705 11.994 -2.397 1.00 0.00 H new ATOM 159 N PHE A 16 2.309 8.752 -4.798 1.00 0.00 N ATOM 160 CA PHE A 16 3.040 7.503 -4.628 1.00 0.00 C ATOM 161 C PHE A 16 4.375 7.549 -5.367 1.00 0.00 C ATOM 162 O PHE A 16 5.364 6.972 -4.915 1.00 0.00 O ATOM 163 CB PHE A 16 2.203 6.318 -5.120 1.00 0.00 C ATOM 164 CG PHE A 16 1.018 6.012 -4.244 1.00 0.00 C ATOM 165 CD1 PHE A 16 -0.210 6.618 -4.468 1.00 0.00 C ATOM 166 CD2 PHE A 16 1.134 5.116 -3.193 1.00 0.00 C ATOM 167 CE1 PHE A 16 -1.297 6.335 -3.662 1.00 0.00 C ATOM 168 CE2 PHE A 16 0.051 4.829 -2.383 1.00 0.00 C ATOM 169 CZ PHE A 16 -1.165 5.438 -2.618 1.00 0.00 C ATOM 0 H PHE A 16 1.476 8.676 -5.382 1.00 0.00 H new ATOM 0 HA PHE A 16 3.240 7.372 -3.565 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.853 6.526 -6.131 1.00 0.00 H new ATOM 0 HB3 PHE A 16 2.839 5.434 -5.179 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.318 7.319 -5.282 1.00 0.00 H new ATOM 0 HD2 PHE A 16 2.083 4.636 -3.004 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.247 6.814 -3.847 1.00 0.00 H new ATOM 0 HE2 PHE A 16 0.156 4.129 -1.567 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.013 5.214 -1.987 1.00 0.00 H new ATOM 179 N ASP A 17 4.391 8.260 -6.490 1.00 0.00 N ATOM 180 CA ASP A 17 5.576 8.391 -7.339 1.00 0.00 C ATOM 181 C ASP A 17 6.763 8.948 -6.561 1.00 0.00 C ATOM 182 O ASP A 17 7.900 8.512 -6.746 1.00 0.00 O ATOM 183 CB ASP A 17 5.262 9.310 -8.526 1.00 0.00 C ATOM 184 CG ASP A 17 6.421 9.482 -9.488 1.00 0.00 C ATOM 185 OD1 ASP A 17 7.229 10.412 -9.296 1.00 0.00 O ATOM 186 OD2 ASP A 17 6.516 8.700 -10.455 1.00 0.00 O ATOM 0 H ASP A 17 3.578 8.766 -6.841 1.00 0.00 H new ATOM 0 HA ASP A 17 5.844 7.397 -7.698 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.407 8.907 -9.069 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.967 10.289 -8.148 1.00 0.00 H new ATOM 191 N LYS A 18 6.498 9.908 -5.688 1.00 0.00 N ATOM 192 CA LYS A 18 7.567 10.547 -4.937 1.00 0.00 C ATOM 193 C LYS A 18 7.822 9.851 -3.603 1.00 0.00 C ATOM 194 O LYS A 18 8.973 9.689 -3.194 1.00 0.00 O ATOM 195 CB LYS A 18 7.258 12.030 -4.716 1.00 0.00 C ATOM 196 CG LYS A 18 7.095 12.807 -6.014 1.00 0.00 C ATOM 197 CD LYS A 18 8.273 12.574 -6.949 1.00 0.00 C ATOM 198 CE LYS A 18 8.072 13.254 -8.293 1.00 0.00 C ATOM 199 NZ LYS A 18 9.133 12.879 -9.265 1.00 0.00 N ATOM 0 H LYS A 18 5.562 10.259 -5.484 1.00 0.00 H new ATOM 0 HA LYS A 18 8.477 10.460 -5.531 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.344 12.121 -4.128 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.060 12.478 -4.130 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.171 12.505 -6.507 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.007 13.871 -5.795 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.185 12.950 -6.485 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.410 11.503 -7.101 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.097 12.981 -8.696 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.070 14.335 -8.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.139 13.559 -10.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 10.058 12.890 -8.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.945 11.925 -9.634 1.00 0.00 H new ATOM 213 N VAL A 19 6.762 9.415 -2.932 1.00 0.00 N ATOM 214 CA VAL A 19 6.900 8.822 -1.606 1.00 0.00 C ATOM 215 C VAL A 19 7.713 7.521 -1.649 1.00 0.00 C ATOM 216 O VAL A 19 8.400 7.189 -0.687 1.00 0.00 O ATOM 217 CB VAL A 19 5.528 8.564 -0.935 1.00 0.00 C ATOM 218 CG1 VAL A 19 4.803 7.399 -1.585 1.00 0.00 C ATOM 219 CG2 VAL A 19 5.695 8.329 0.561 1.00 0.00 C ATOM 0 H VAL A 19 5.804 9.460 -3.280 1.00 0.00 H new ATOM 0 HA VAL A 19 7.440 9.551 -1.002 1.00 0.00 H new ATOM 0 HB VAL A 19 4.917 9.455 -1.077 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.844 7.245 -1.090 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.636 7.617 -2.640 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.408 6.497 -1.493 1.00 0.00 H new ATOM 0 HG21 VAL A 19 4.719 8.150 1.012 1.00 0.00 H new ATOM 0 HG22 VAL A 19 6.335 7.462 0.724 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.151 9.207 1.019 1.00 0.00 H new ATOM 229 N ARG A 20 7.669 6.803 -2.773 1.00 0.00 N ATOM 230 CA ARG A 20 8.423 5.554 -2.896 1.00 0.00 C ATOM 231 C ARG A 20 9.923 5.814 -2.979 1.00 0.00 C ATOM 232 O ARG A 20 10.731 4.892 -2.863 1.00 0.00 O ATOM 233 CB ARG A 20 7.954 4.720 -4.107 1.00 0.00 C ATOM 234 CG ARG A 20 7.872 5.468 -5.438 1.00 0.00 C ATOM 235 CD ARG A 20 9.235 5.839 -6.013 1.00 0.00 C ATOM 236 NE ARG A 20 10.079 4.670 -6.266 1.00 0.00 N ATOM 237 CZ ARG A 20 10.519 4.315 -7.476 1.00 0.00 C ATOM 238 NH1 ARG A 20 10.177 5.018 -8.550 1.00 0.00 N ATOM 239 NH2 ARG A 20 11.314 3.261 -7.604 1.00 0.00 N ATOM 0 H ARG A 20 7.128 7.059 -3.599 1.00 0.00 H new ATOM 0 HA ARG A 20 8.226 4.976 -1.993 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.633 3.876 -4.227 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.970 4.309 -3.882 1.00 0.00 H new ATOM 0 HG2 ARG A 20 7.338 4.851 -6.160 1.00 0.00 H new ATOM 0 HG3 ARG A 20 7.286 6.376 -5.300 1.00 0.00 H new ATOM 0 HD2 ARG A 20 9.095 6.389 -6.944 1.00 0.00 H new ATOM 0 HD3 ARG A 20 9.746 6.508 -5.321 1.00 0.00 H new ATOM 0 HE ARG A 20 10.347 4.092 -5.470 1.00 0.00 H new ATOM 0 HH11 ARG A 20 9.574 5.835 -8.454 1.00 0.00 H new ATOM 0 HH12 ARG A 20 10.517 4.741 -9.471 1.00 0.00 H new ATOM 0 HH21 ARG A 20 11.587 2.725 -6.780 1.00 0.00 H new ATOM 0 HH22 ARG A 20 11.652 2.986 -8.526 1.00 0.00 H new ATOM 253 N ASN A 21 10.287 7.069 -3.177 1.00 0.00 N ATOM 254 CA ASN A 21 11.683 7.442 -3.332 1.00 0.00 C ATOM 255 C ASN A 21 12.140 8.320 -2.177 1.00 0.00 C ATOM 256 O ASN A 21 13.118 8.014 -1.497 1.00 0.00 O ATOM 257 CB ASN A 21 11.881 8.190 -4.652 1.00 0.00 C ATOM 258 CG ASN A 21 13.333 8.537 -4.915 1.00 0.00 C ATOM 259 OD1 ASN A 21 14.080 7.738 -5.477 1.00 0.00 O ATOM 260 ND2 ASN A 21 13.736 9.739 -4.537 1.00 0.00 N ATOM 0 H ASN A 21 9.633 7.850 -3.234 1.00 0.00 H new ATOM 0 HA ASN A 21 12.281 6.530 -3.336 1.00 0.00 H new ATOM 0 HB2 ASN A 21 11.504 7.579 -5.472 1.00 0.00 H new ATOM 0 HB3 ASN A 21 11.289 9.105 -4.639 1.00 0.00 H new ATOM 0 HD21 ASN A 21 14.698 10.032 -4.709 1.00 0.00 H new ATOM 0 HD22 ASN A 21 13.085 10.373 -4.073 1.00 0.00 H new ATOM 267 N ASP A 22 11.415 9.404 -1.956 1.00 0.00 N ATOM 268 CA ASP A 22 11.817 10.411 -0.985 1.00 0.00 C ATOM 269 C ASP A 22 11.283 10.107 0.409 1.00 0.00 C ATOM 270 O ASP A 22 11.750 10.684 1.394 1.00 0.00 O ATOM 271 CB ASP A 22 11.350 11.795 -1.438 1.00 0.00 C ATOM 272 CG ASP A 22 12.178 12.327 -2.591 1.00 0.00 C ATOM 273 OD1 ASP A 22 12.089 11.769 -3.702 1.00 0.00 O ATOM 274 OD2 ASP A 22 12.927 13.310 -2.388 1.00 0.00 O ATOM 0 H ASP A 22 10.540 9.611 -2.438 1.00 0.00 H new ATOM 0 HA ASP A 22 12.905 10.395 -0.929 1.00 0.00 H new ATOM 0 HB2 ASP A 22 10.303 11.744 -1.737 1.00 0.00 H new ATOM 0 HB3 ASP A 22 11.408 12.489 -0.600 1.00 0.00 H new ATOM 279 N LEU A 23 10.301 9.208 0.482 1.00 0.00 N ATOM 280 CA LEU A 23 9.732 8.760 1.758 1.00 0.00 C ATOM 281 C LEU A 23 9.101 9.912 2.541 1.00 0.00 C ATOM 282 O LEU A 23 9.121 9.924 3.773 1.00 0.00 O ATOM 283 CB LEU A 23 10.806 8.071 2.609 1.00 0.00 C ATOM 284 CG LEU A 23 11.348 6.760 2.035 1.00 0.00 C ATOM 285 CD1 LEU A 23 12.429 6.187 2.937 1.00 0.00 C ATOM 286 CD2 LEU A 23 10.222 5.755 1.855 1.00 0.00 C ATOM 0 H LEU A 23 9.878 8.770 -0.336 1.00 0.00 H new ATOM 0 HA LEU A 23 8.941 8.046 1.527 1.00 0.00 H new ATOM 0 HB2 LEU A 23 11.638 8.762 2.744 1.00 0.00 H new ATOM 0 HB3 LEU A 23 10.392 7.873 3.598 1.00 0.00 H new ATOM 0 HG LEU A 23 11.788 6.968 1.060 1.00 0.00 H new ATOM 0 HD11 LEU A 23 12.802 5.255 2.512 1.00 0.00 H new ATOM 0 HD12 LEU A 23 13.249 6.901 3.021 1.00 0.00 H new ATOM 0 HD13 LEU A 23 12.013 5.994 3.926 1.00 0.00 H new ATOM 0 HD21 LEU A 23 10.624 4.828 1.446 1.00 0.00 H new ATOM 0 HD22 LEU A 23 9.756 5.554 2.820 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.478 6.161 1.170 1.00 0.00 H new ATOM 298 N ASN A 24 8.522 10.868 1.827 1.00 0.00 N ATOM 299 CA ASN A 24 7.850 11.992 2.466 1.00 0.00 C ATOM 300 C ASN A 24 6.454 11.587 2.947 1.00 0.00 C ATOM 301 O ASN A 24 5.459 11.743 2.242 1.00 0.00 O ATOM 302 CB ASN A 24 7.784 13.209 1.526 1.00 0.00 C ATOM 303 CG ASN A 24 7.240 12.894 0.140 1.00 0.00 C ATOM 304 OD1 ASN A 24 7.987 12.506 -0.756 1.00 0.00 O ATOM 305 ND2 ASN A 24 5.943 13.082 -0.056 1.00 0.00 N ATOM 0 H ASN A 24 8.504 10.888 0.807 1.00 0.00 H new ATOM 0 HA ASN A 24 8.435 12.283 3.338 1.00 0.00 H new ATOM 0 HB2 ASN A 24 7.159 13.975 1.984 1.00 0.00 H new ATOM 0 HB3 ASN A 24 8.784 13.631 1.425 1.00 0.00 H new ATOM 0 HD21 ASN A 24 5.535 12.904 -0.974 1.00 0.00 H new ATOM 0 HD22 ASN A 24 5.353 13.405 0.711 1.00 0.00 H new ATOM 312 N TYR A 25 6.394 11.051 4.157 1.00 0.00 N ATOM 313 CA TYR A 25 5.144 10.546 4.710 1.00 0.00 C ATOM 314 C TYR A 25 4.278 11.673 5.260 1.00 0.00 C ATOM 315 O TYR A 25 3.059 11.534 5.346 1.00 0.00 O ATOM 316 CB TYR A 25 5.418 9.509 5.801 1.00 0.00 C ATOM 317 CG TYR A 25 6.006 8.218 5.274 1.00 0.00 C ATOM 318 CD1 TYR A 25 5.211 7.298 4.598 1.00 0.00 C ATOM 319 CD2 TYR A 25 7.350 7.917 5.448 1.00 0.00 C ATOM 320 CE1 TYR A 25 5.740 6.118 4.112 1.00 0.00 C ATOM 321 CE2 TYR A 25 7.887 6.739 4.965 1.00 0.00 C ATOM 322 CZ TYR A 25 7.079 5.844 4.298 1.00 0.00 C ATOM 323 OH TYR A 25 7.611 4.671 3.816 1.00 0.00 O ATOM 0 H TYR A 25 7.198 10.954 4.777 1.00 0.00 H new ATOM 0 HA TYR A 25 4.596 10.069 3.898 1.00 0.00 H new ATOM 0 HB2 TYR A 25 6.101 9.937 6.535 1.00 0.00 H new ATOM 0 HB3 TYR A 25 4.487 9.288 6.323 1.00 0.00 H new ATOM 0 HD1 TYR A 25 4.162 7.510 4.451 1.00 0.00 H new ATOM 0 HD2 TYR A 25 7.987 8.616 5.970 1.00 0.00 H new ATOM 0 HE1 TYR A 25 5.109 5.414 3.590 1.00 0.00 H new ATOM 0 HE2 TYR A 25 8.935 6.521 5.110 1.00 0.00 H new ATOM 0 HH TYR A 25 7.638 4.702 2.837 1.00 0.00 H new ATOM 333 N GLN A 26 4.906 12.787 5.620 1.00 0.00 N ATOM 334 CA GLN A 26 4.178 13.943 6.137 1.00 0.00 C ATOM 335 C GLN A 26 3.145 14.420 5.118 1.00 0.00 C ATOM 336 O GLN A 26 1.967 14.571 5.437 1.00 0.00 O ATOM 337 CB GLN A 26 5.160 15.073 6.485 1.00 0.00 C ATOM 338 CG GLN A 26 4.491 16.368 6.928 1.00 0.00 C ATOM 339 CD GLN A 26 3.677 16.226 8.205 1.00 0.00 C ATOM 340 OE1 GLN A 26 4.100 15.339 9.093 1.00 0.00 O flip ATOM 341 NE2 GLN A 26 2.681 16.927 8.395 1.00 0.00 N flip ATOM 0 H GLN A 26 5.916 12.915 5.564 1.00 0.00 H new ATOM 0 HA GLN A 26 3.651 13.650 7.045 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.824 14.730 7.279 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.783 15.278 5.615 1.00 0.00 H new ATOM 0 HG2 GLN A 26 5.256 17.130 7.077 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.840 16.723 6.129 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.388 17.599 7.686 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.150 16.835 9.261 1.00 0.00 H new ATOM 350 N TRP A 27 3.587 14.632 3.888 1.00 0.00 N ATOM 351 CA TRP A 27 2.691 15.041 2.815 1.00 0.00 C ATOM 352 C TRP A 27 1.829 13.863 2.361 1.00 0.00 C ATOM 353 O TRP A 27 0.675 14.039 1.961 1.00 0.00 O ATOM 354 CB TRP A 27 3.509 15.596 1.645 1.00 0.00 C ATOM 355 CG TRP A 27 2.675 16.155 0.535 1.00 0.00 C ATOM 356 CD1 TRP A 27 1.899 17.277 0.579 1.00 0.00 C ATOM 357 CD2 TRP A 27 2.545 15.627 -0.791 1.00 0.00 C ATOM 358 NE1 TRP A 27 1.285 17.474 -0.633 1.00 0.00 N ATOM 359 CE2 TRP A 27 1.668 16.475 -1.492 1.00 0.00 C ATOM 360 CE3 TRP A 27 3.081 14.517 -1.449 1.00 0.00 C ATOM 361 CZ2 TRP A 27 1.318 16.249 -2.821 1.00 0.00 C ATOM 362 CZ3 TRP A 27 2.733 14.295 -2.768 1.00 0.00 C ATOM 363 CH2 TRP A 27 1.858 15.157 -3.441 1.00 0.00 C ATOM 0 H TRP A 27 4.562 14.528 3.607 1.00 0.00 H new ATOM 0 HA TRP A 27 2.027 15.823 3.183 1.00 0.00 H new ATOM 0 HB2 TRP A 27 4.173 16.377 2.016 1.00 0.00 H new ATOM 0 HB3 TRP A 27 4.141 14.802 1.247 1.00 0.00 H new ATOM 0 HD1 TRP A 27 1.785 17.917 1.442 1.00 0.00 H new ATOM 0 HE1 TRP A 27 0.648 18.238 -0.858 1.00 0.00 H new ATOM 0 HE3 TRP A 27 3.754 13.846 -0.937 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 0.644 16.913 -3.343 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 3.143 13.442 -3.289 1.00 0.00 H new ATOM 0 HH2 TRP A 27 1.605 14.955 -4.471 1.00 0.00 H new ATOM 374 N PHE A 28 2.393 12.664 2.455 1.00 0.00 N ATOM 375 CA PHE A 28 1.712 11.442 2.038 1.00 0.00 C ATOM 376 C PHE A 28 0.418 11.228 2.825 1.00 0.00 C ATOM 377 O PHE A 28 -0.663 11.145 2.240 1.00 0.00 O ATOM 378 CB PHE A 28 2.649 10.242 2.213 1.00 0.00 C ATOM 379 CG PHE A 28 2.073 8.928 1.768 1.00 0.00 C ATOM 380 CD1 PHE A 28 1.731 8.719 0.443 1.00 0.00 C ATOM 381 CD2 PHE A 28 1.885 7.897 2.676 1.00 0.00 C ATOM 382 CE1 PHE A 28 1.209 7.509 0.030 1.00 0.00 C ATOM 383 CE2 PHE A 28 1.368 6.683 2.268 1.00 0.00 C ATOM 384 CZ PHE A 28 1.029 6.488 0.943 1.00 0.00 C ATOM 0 H PHE A 28 3.333 12.511 2.821 1.00 0.00 H new ATOM 0 HA PHE A 28 1.445 11.541 0.986 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.566 10.429 1.654 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.926 10.165 3.264 1.00 0.00 H new ATOM 0 HD1 PHE A 28 1.874 9.512 -0.276 1.00 0.00 H new ATOM 0 HD2 PHE A 28 2.146 8.045 3.714 1.00 0.00 H new ATOM 0 HE1 PHE A 28 0.942 7.361 -1.006 1.00 0.00 H new ATOM 0 HE2 PHE A 28 1.229 5.887 2.984 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.624 5.540 0.622 1.00 0.00 H new ATOM 394 N TYR A 29 0.527 11.162 4.148 1.00 0.00 N ATOM 395 CA TYR A 29 -0.634 10.906 4.995 1.00 0.00 C ATOM 396 C TYR A 29 -1.634 12.056 4.943 1.00 0.00 C ATOM 397 O TYR A 29 -2.842 11.840 5.055 1.00 0.00 O ATOM 398 CB TYR A 29 -0.206 10.648 6.442 1.00 0.00 C ATOM 399 CG TYR A 29 0.406 9.281 6.668 1.00 0.00 C ATOM 400 CD1 TYR A 29 -0.397 8.152 6.781 1.00 0.00 C ATOM 401 CD2 TYR A 29 1.780 9.121 6.781 1.00 0.00 C ATOM 402 CE1 TYR A 29 0.154 6.903 6.998 1.00 0.00 C ATOM 403 CE2 TYR A 29 2.338 7.874 6.996 1.00 0.00 C ATOM 404 CZ TYR A 29 1.520 6.769 7.104 1.00 0.00 C ATOM 405 OH TYR A 29 2.075 5.527 7.322 1.00 0.00 O ATOM 0 H TYR A 29 1.403 11.282 4.656 1.00 0.00 H new ATOM 0 HA TYR A 29 -1.125 10.014 4.607 1.00 0.00 H new ATOM 0 HB2 TYR A 29 0.514 11.411 6.739 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -1.074 10.758 7.092 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -1.469 8.252 6.698 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.424 9.984 6.700 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -0.484 6.036 7.084 1.00 0.00 H new ATOM 0 HE2 TYR A 29 3.409 7.766 7.079 1.00 0.00 H new ATOM 0 HH TYR A 29 3.050 5.609 7.370 1.00 0.00 H new ATOM 415 N SER A 30 -1.134 13.271 4.759 1.00 0.00 N ATOM 416 CA SER A 30 -1.995 14.443 4.690 1.00 0.00 C ATOM 417 C SER A 30 -2.925 14.366 3.479 1.00 0.00 C ATOM 418 O SER A 30 -4.129 14.591 3.601 1.00 0.00 O ATOM 419 CB SER A 30 -1.150 15.715 4.638 1.00 0.00 C ATOM 420 OG SER A 30 -0.348 15.835 5.804 1.00 0.00 O ATOM 0 H SER A 30 -0.139 13.470 4.655 1.00 0.00 H new ATOM 0 HA SER A 30 -2.613 14.469 5.588 1.00 0.00 H new ATOM 0 HB2 SER A 30 -0.513 15.698 3.753 1.00 0.00 H new ATOM 0 HB3 SER A 30 -1.800 16.585 4.547 1.00 0.00 H new ATOM 0 HG SER A 30 0.589 15.663 5.576 1.00 0.00 H new ATOM 426 N GLU A 31 -2.372 14.025 2.320 1.00 0.00 N ATOM 427 CA GLU A 31 -3.175 13.888 1.110 1.00 0.00 C ATOM 428 C GLU A 31 -4.101 12.681 1.207 1.00 0.00 C ATOM 429 O GLU A 31 -5.207 12.698 0.668 1.00 0.00 O ATOM 430 CB GLU A 31 -2.283 13.769 -0.126 1.00 0.00 C ATOM 431 CG GLU A 31 -1.596 15.071 -0.507 1.00 0.00 C ATOM 432 CD GLU A 31 -2.585 16.179 -0.811 1.00 0.00 C ATOM 433 OE1 GLU A 31 -3.018 16.297 -1.978 1.00 0.00 O ATOM 434 OE2 GLU A 31 -2.941 16.934 0.112 1.00 0.00 O ATOM 0 H GLU A 31 -1.377 13.839 2.193 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.785 14.786 1.012 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.525 13.007 0.055 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.885 13.426 -0.967 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -0.942 15.385 0.306 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.963 14.903 -1.379 1.00 0.00 H new ATOM 441 N LEU A 32 -3.655 11.641 1.900 1.00 0.00 N ATOM 442 CA LEU A 32 -4.492 10.468 2.123 1.00 0.00 C ATOM 443 C LEU A 32 -5.753 10.852 2.883 1.00 0.00 C ATOM 444 O LEU A 32 -6.857 10.521 2.476 1.00 0.00 O ATOM 445 CB LEU A 32 -3.739 9.389 2.902 1.00 0.00 C ATOM 446 CG LEU A 32 -2.556 8.752 2.172 1.00 0.00 C ATOM 447 CD1 LEU A 32 -1.915 7.685 3.042 1.00 0.00 C ATOM 448 CD2 LEU A 32 -2.996 8.162 0.840 1.00 0.00 C ATOM 0 H LEU A 32 -2.725 11.585 2.315 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.763 10.067 1.146 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.377 9.824 3.833 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.443 8.602 3.171 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.818 9.528 1.970 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.074 7.239 2.511 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.561 8.136 3.969 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.650 6.913 3.272 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.138 7.715 0.339 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.754 7.398 1.013 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.412 8.950 0.213 1.00 0.00 H new ATOM 460 N LYS A 33 -5.583 11.581 3.972 1.00 0.00 N ATOM 461 CA LYS A 33 -6.711 11.995 4.802 1.00 0.00 C ATOM 462 C LYS A 33 -7.533 13.092 4.127 1.00 0.00 C ATOM 463 O LYS A 33 -8.636 13.408 4.570 1.00 0.00 O ATOM 464 CB LYS A 33 -6.206 12.486 6.160 1.00 0.00 C ATOM 465 CG LYS A 33 -5.624 11.384 7.035 1.00 0.00 C ATOM 466 CD LYS A 33 -4.889 11.951 8.242 1.00 0.00 C ATOM 467 CE LYS A 33 -5.781 12.856 9.082 1.00 0.00 C ATOM 468 NZ LYS A 33 -6.921 12.123 9.702 1.00 0.00 N ATOM 0 H LYS A 33 -4.674 11.901 4.306 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.358 11.129 4.942 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.445 13.250 6.000 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -7.029 12.963 6.692 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.425 10.727 7.373 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.939 10.775 6.445 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.520 11.132 8.859 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.018 12.513 7.905 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.184 13.322 9.866 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.168 13.660 8.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.476 12.777 10.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.528 11.729 8.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.556 11.351 10.295 1.00 0.00 H new ATOM 482 N ARG A 34 -6.996 13.668 3.063 1.00 0.00 N ATOM 483 CA ARG A 34 -7.667 14.755 2.365 1.00 0.00 C ATOM 484 C ARG A 34 -8.381 14.253 1.106 1.00 0.00 C ATOM 485 O ARG A 34 -9.258 14.928 0.562 1.00 0.00 O ATOM 486 CB ARG A 34 -6.649 15.851 2.024 1.00 0.00 C ATOM 487 CG ARG A 34 -7.221 17.022 1.241 1.00 0.00 C ATOM 488 CD ARG A 34 -6.521 18.327 1.590 1.00 0.00 C ATOM 489 NE ARG A 34 -5.069 18.244 1.440 1.00 0.00 N ATOM 490 CZ ARG A 34 -4.207 19.020 2.092 1.00 0.00 C ATOM 491 NH1 ARG A 34 -4.640 20.000 2.876 1.00 0.00 N ATOM 492 NH2 ARG A 34 -2.908 18.834 1.929 1.00 0.00 N ATOM 0 H ARG A 34 -6.096 13.401 2.663 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.431 15.173 3.020 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -6.215 16.227 2.951 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -5.836 15.408 1.448 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -7.121 16.829 0.173 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -8.287 17.114 1.450 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -6.904 19.122 0.951 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -6.761 18.600 2.617 1.00 0.00 H new ATOM 0 HE ARG A 34 -4.694 17.548 0.796 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -5.641 20.163 2.983 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.971 20.590 3.372 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -2.572 18.099 1.306 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -2.242 19.425 2.426 1.00 0.00 H new ATOM 506 N HIS A 35 -8.024 13.061 0.644 1.00 0.00 N ATOM 507 CA HIS A 35 -8.613 12.524 -0.582 1.00 0.00 C ATOM 508 C HIS A 35 -9.176 11.126 -0.361 1.00 0.00 C ATOM 509 O HIS A 35 -10.299 10.829 -0.769 1.00 0.00 O ATOM 510 CB HIS A 35 -7.580 12.492 -1.714 1.00 0.00 C ATOM 511 CG HIS A 35 -6.982 13.831 -2.033 1.00 0.00 C ATOM 512 ND1 HIS A 35 -7.721 14.900 -2.495 1.00 0.00 N ATOM 513 CD2 HIS A 35 -5.705 14.277 -1.937 1.00 0.00 C ATOM 514 CE1 HIS A 35 -6.926 15.941 -2.670 1.00 0.00 C ATOM 515 NE2 HIS A 35 -5.700 15.587 -2.337 1.00 0.00 N ATOM 0 H HIS A 35 -7.338 12.452 1.091 1.00 0.00 H new ATOM 0 HA HIS A 35 -9.432 13.186 -0.866 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.780 11.804 -1.442 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -8.052 12.093 -2.612 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -4.850 13.705 -1.606 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -7.229 16.915 -3.025 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -4.879 16.192 -2.372 1.00 0.00 H new ATOM 524 N ASN A 36 -8.399 10.279 0.294 1.00 0.00 N ATOM 525 CA ASN A 36 -8.798 8.898 0.537 1.00 0.00 C ATOM 526 C ASN A 36 -9.649 8.820 1.795 1.00 0.00 C ATOM 527 O ASN A 36 -9.164 8.472 2.870 1.00 0.00 O ATOM 528 CB ASN A 36 -7.574 7.982 0.683 1.00 0.00 C ATOM 529 CG ASN A 36 -6.675 7.971 -0.541 1.00 0.00 C ATOM 530 OD1 ASN A 36 -6.567 8.955 -1.270 1.00 0.00 O ATOM 531 ND2 ASN A 36 -6.011 6.852 -0.774 1.00 0.00 N ATOM 0 H ASN A 36 -7.483 10.523 0.670 1.00 0.00 H new ATOM 0 HA ASN A 36 -9.378 8.558 -0.321 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.993 8.301 1.548 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -7.913 6.966 0.884 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -5.387 6.787 -1.578 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -6.123 6.053 -0.150 1.00 0.00 H new ATOM 538 N VAL A 37 -10.918 9.169 1.654 1.00 0.00 N ATOM 539 CA VAL A 37 -11.827 9.222 2.786 1.00 0.00 C ATOM 540 C VAL A 37 -12.156 7.819 3.291 1.00 0.00 C ATOM 541 O VAL A 37 -12.370 7.611 4.489 1.00 0.00 O ATOM 542 CB VAL A 37 -13.128 9.970 2.416 1.00 0.00 C ATOM 543 CG1 VAL A 37 -14.062 10.072 3.614 1.00 0.00 C ATOM 544 CG2 VAL A 37 -12.801 11.356 1.875 1.00 0.00 C ATOM 0 H VAL A 37 -11.343 9.421 0.761 1.00 0.00 H new ATOM 0 HA VAL A 37 -11.326 9.769 3.585 1.00 0.00 H new ATOM 0 HB VAL A 37 -13.640 9.400 1.640 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -14.969 10.603 3.324 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -14.322 9.071 3.959 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -13.565 10.615 4.418 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -13.725 11.874 1.618 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -12.265 11.926 2.634 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -12.178 11.262 0.985 1.00 0.00 H new ATOM 554 N SER A 38 -12.196 6.854 2.384 1.00 0.00 N ATOM 555 CA SER A 38 -12.480 5.489 2.782 1.00 0.00 C ATOM 556 C SER A 38 -11.213 4.627 2.814 1.00 0.00 C ATOM 557 O SER A 38 -10.607 4.453 3.873 1.00 0.00 O ATOM 558 CB SER A 38 -13.553 4.867 1.878 1.00 0.00 C ATOM 559 OG SER A 38 -13.190 4.939 0.512 1.00 0.00 O ATOM 0 H SER A 38 -12.038 6.989 1.385 1.00 0.00 H new ATOM 0 HA SER A 38 -12.870 5.521 3.799 1.00 0.00 H new ATOM 0 HB2 SER A 38 -13.707 3.825 2.159 1.00 0.00 H new ATOM 0 HB3 SER A 38 -14.501 5.382 2.031 1.00 0.00 H new ATOM 0 HG SER A 38 -13.184 5.876 0.224 1.00 0.00 H new ATOM 565 N HIS A 39 -10.799 4.108 1.660 1.00 0.00 N ATOM 566 CA HIS A 39 -9.694 3.154 1.609 1.00 0.00 C ATOM 567 C HIS A 39 -9.147 3.017 0.195 1.00 0.00 C ATOM 568 O HIS A 39 -9.844 3.291 -0.776 1.00 0.00 O ATOM 569 CB HIS A 39 -10.161 1.777 2.110 1.00 0.00 C ATOM 570 CG HIS A 39 -11.282 1.178 1.303 1.00 0.00 C ATOM 571 ND1 HIS A 39 -12.613 1.443 1.547 1.00 0.00 N ATOM 572 CD2 HIS A 39 -11.263 0.330 0.245 1.00 0.00 C ATOM 573 CE1 HIS A 39 -13.359 0.790 0.677 1.00 0.00 C ATOM 574 NE2 HIS A 39 -12.564 0.110 -0.124 1.00 0.00 N ATOM 0 H HIS A 39 -11.209 4.330 0.753 1.00 0.00 H new ATOM 0 HA HIS A 39 -8.899 3.531 2.253 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -9.313 1.092 2.100 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -10.483 1.870 3.147 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -10.385 -0.093 -0.220 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -14.438 0.809 0.629 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -12.868 -0.485 -0.895 1.00 0.00 H new ATOM 583 N TYR A 40 -7.901 2.575 0.083 1.00 0.00 N ATOM 584 CA TYR A 40 -7.316 2.295 -1.219 1.00 0.00 C ATOM 585 C TYR A 40 -6.722 0.891 -1.234 1.00 0.00 C ATOM 586 O TYR A 40 -6.156 0.434 -0.238 1.00 0.00 O ATOM 587 CB TYR A 40 -6.257 3.345 -1.598 1.00 0.00 C ATOM 588 CG TYR A 40 -4.978 3.295 -0.788 1.00 0.00 C ATOM 589 CD1 TYR A 40 -4.857 3.990 0.408 1.00 0.00 C ATOM 590 CD2 TYR A 40 -3.885 2.557 -1.229 1.00 0.00 C ATOM 591 CE1 TYR A 40 -3.686 3.949 1.140 1.00 0.00 C ATOM 592 CE2 TYR A 40 -2.715 2.510 -0.502 1.00 0.00 C ATOM 593 CZ TYR A 40 -2.618 3.207 0.678 1.00 0.00 C ATOM 594 OH TYR A 40 -1.453 3.158 1.406 1.00 0.00 O ATOM 0 H TYR A 40 -7.280 2.404 0.874 1.00 0.00 H new ATOM 0 HA TYR A 40 -8.107 2.349 -1.967 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -6.006 3.220 -2.651 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -6.697 4.336 -1.491 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -5.691 4.572 0.772 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -3.954 2.011 -2.158 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -3.607 4.495 2.069 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -1.878 1.928 -0.858 1.00 0.00 H new ATOM 0 HH TYR A 40 -0.801 2.592 0.943 1.00 0.00 H new ATOM 604 N ILE A 41 -6.879 0.205 -2.354 1.00 0.00 N ATOM 605 CA ILE A 41 -6.387 -1.157 -2.491 1.00 0.00 C ATOM 606 C ILE A 41 -5.172 -1.186 -3.409 1.00 0.00 C ATOM 607 O ILE A 41 -5.286 -0.980 -4.618 1.00 0.00 O ATOM 608 CB ILE A 41 -7.456 -2.127 -3.052 1.00 0.00 C ATOM 609 CG1 ILE A 41 -8.755 -2.072 -2.240 1.00 0.00 C ATOM 610 CG2 ILE A 41 -6.915 -3.548 -3.074 1.00 0.00 C ATOM 611 CD1 ILE A 41 -9.688 -0.947 -2.640 1.00 0.00 C ATOM 0 H ILE A 41 -7.345 0.570 -3.185 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.121 -1.492 -1.488 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.686 -1.811 -4.070 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -9.280 -3.021 -2.350 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -8.506 -1.965 -1.184 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.676 -4.221 -3.470 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.028 -3.590 -3.706 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.653 -3.853 -2.061 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -10.583 -0.978 -2.018 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -9.184 0.010 -2.503 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -9.969 -1.062 -3.687 1.00 0.00 H new ATOM 623 N TYR A 42 -4.018 -1.433 -2.828 1.00 0.00 N ATOM 624 CA TYR A 42 -2.778 -1.489 -3.573 1.00 0.00 C ATOM 625 C TYR A 42 -2.521 -2.917 -4.044 1.00 0.00 C ATOM 626 O TYR A 42 -2.291 -3.812 -3.232 1.00 0.00 O ATOM 627 CB TYR A 42 -1.620 -1.013 -2.687 1.00 0.00 C ATOM 628 CG TYR A 42 -0.388 -0.576 -3.449 1.00 0.00 C ATOM 629 CD1 TYR A 42 0.299 -1.453 -4.279 1.00 0.00 C ATOM 630 CD2 TYR A 42 0.086 0.723 -3.334 1.00 0.00 C ATOM 631 CE1 TYR A 42 1.416 -1.045 -4.980 1.00 0.00 C ATOM 632 CE2 TYR A 42 1.205 1.137 -4.028 1.00 0.00 C ATOM 633 CZ TYR A 42 1.865 0.251 -4.849 1.00 0.00 C ATOM 634 OH TYR A 42 2.971 0.662 -5.552 1.00 0.00 O ATOM 0 H TYR A 42 -3.912 -1.600 -1.827 1.00 0.00 H new ATOM 0 HA TYR A 42 -2.852 -0.837 -4.443 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -1.966 -0.182 -2.073 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -1.345 -1.819 -2.006 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -0.047 -2.471 -4.377 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -0.429 1.421 -2.691 1.00 0.00 H new ATOM 0 HE1 TYR A 42 1.935 -1.737 -5.627 1.00 0.00 H new ATOM 0 HE2 TYR A 42 1.561 2.152 -3.927 1.00 0.00 H new ATOM 0 HH TYR A 42 3.156 1.603 -5.350 1.00 0.00 H new ATOM 644 N TYR A 43 -2.588 -3.136 -5.345 1.00 0.00 N ATOM 645 CA TYR A 43 -2.252 -4.435 -5.902 1.00 0.00 C ATOM 646 C TYR A 43 -0.778 -4.480 -6.255 1.00 0.00 C ATOM 647 O TYR A 43 -0.316 -3.758 -7.138 1.00 0.00 O ATOM 648 CB TYR A 43 -3.111 -4.744 -7.129 1.00 0.00 C ATOM 649 CG TYR A 43 -4.557 -5.028 -6.789 1.00 0.00 C ATOM 650 CD1 TYR A 43 -4.961 -6.300 -6.409 1.00 0.00 C ATOM 651 CD2 TYR A 43 -5.514 -4.023 -6.834 1.00 0.00 C ATOM 652 CE1 TYR A 43 -6.277 -6.565 -6.086 1.00 0.00 C ATOM 653 CE2 TYR A 43 -6.832 -4.281 -6.511 1.00 0.00 C ATOM 654 CZ TYR A 43 -7.207 -5.554 -6.137 1.00 0.00 C ATOM 655 OH TYR A 43 -8.519 -5.811 -5.812 1.00 0.00 O ATOM 0 H TYR A 43 -2.870 -2.437 -6.032 1.00 0.00 H new ATOM 0 HA TYR A 43 -2.458 -5.198 -5.151 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -3.066 -3.900 -7.818 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -2.692 -5.604 -7.651 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -4.233 -7.097 -6.365 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -5.224 -3.025 -7.126 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -6.574 -7.562 -5.795 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -7.565 -3.489 -6.551 1.00 0.00 H new ATOM 0 HH TYR A 43 -9.045 -4.988 -5.899 1.00 0.00 H new ATOM 665 N LEU A 44 -0.043 -5.316 -5.541 1.00 0.00 N ATOM 666 CA LEU A 44 1.394 -5.428 -5.727 1.00 0.00 C ATOM 667 C LEU A 44 1.718 -6.083 -7.062 1.00 0.00 C ATOM 668 O LEU A 44 0.876 -6.774 -7.640 1.00 0.00 O ATOM 669 CB LEU A 44 2.019 -6.211 -4.572 1.00 0.00 C ATOM 670 CG LEU A 44 1.976 -5.494 -3.221 1.00 0.00 C ATOM 671 CD1 LEU A 44 2.414 -6.424 -2.107 1.00 0.00 C ATOM 672 CD2 LEU A 44 2.856 -4.253 -3.253 1.00 0.00 C ATOM 0 H LEU A 44 -0.422 -5.932 -4.821 1.00 0.00 H new ATOM 0 HA LEU A 44 1.820 -4.425 -5.734 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.504 -7.167 -4.478 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.058 -6.431 -4.819 1.00 0.00 H new ATOM 0 HG LEU A 44 0.948 -5.188 -3.027 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.376 -5.895 -1.155 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.748 -7.286 -2.070 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.433 -6.761 -2.294 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.816 -3.753 -2.285 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.885 -4.542 -3.470 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.499 -3.574 -4.027 1.00 0.00 H new ATOM 684 N ALA A 45 2.943 -5.847 -7.536 1.00 0.00 N ATOM 685 CA ALA A 45 3.394 -6.281 -8.860 1.00 0.00 C ATOM 686 C ALA A 45 2.686 -5.494 -9.957 1.00 0.00 C ATOM 687 O ALA A 45 3.310 -4.698 -10.645 1.00 0.00 O ATOM 688 CB ALA A 45 3.225 -7.782 -9.060 1.00 0.00 C ATOM 0 H ALA A 45 3.656 -5.345 -7.007 1.00 0.00 H new ATOM 0 HA ALA A 45 4.462 -6.072 -8.924 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.572 -8.058 -10.056 1.00 0.00 H new ATOM 0 HB2 ALA A 45 3.809 -8.317 -8.311 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.173 -8.047 -8.957 1.00 0.00 H new ATOM 694 N THR A 46 1.379 -5.688 -10.093 1.00 0.00 N ATOM 695 CA THR A 46 0.600 -4.977 -11.101 1.00 0.00 C ATOM 696 C THR A 46 0.677 -3.466 -10.868 1.00 0.00 C ATOM 697 O THR A 46 0.534 -2.669 -11.799 1.00 0.00 O ATOM 698 CB THR A 46 -0.875 -5.423 -11.064 1.00 0.00 C ATOM 699 OG1 THR A 46 -0.950 -6.839 -10.865 1.00 0.00 O ATOM 700 CG2 THR A 46 -1.587 -5.061 -12.359 1.00 0.00 C ATOM 0 H THR A 46 0.836 -6.332 -9.518 1.00 0.00 H new ATOM 0 HA THR A 46 1.020 -5.214 -12.078 1.00 0.00 H new ATOM 0 HB THR A 46 -1.364 -4.906 -10.239 1.00 0.00 H new ATOM 0 HG1 THR A 46 -1.890 -7.117 -10.841 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.626 -5.387 -12.306 1.00 0.00 H new ATOM 0 HG22 THR A 46 -1.552 -3.981 -12.504 1.00 0.00 H new ATOM 0 HG23 THR A 46 -1.094 -5.555 -13.196 1.00 0.00 H new ATOM 708 N GLU A 47 0.886 -3.096 -9.604 1.00 0.00 N ATOM 709 CA GLU A 47 1.047 -1.703 -9.199 1.00 0.00 C ATOM 710 C GLU A 47 -0.204 -0.888 -9.513 1.00 0.00 C ATOM 711 O GLU A 47 -0.145 0.328 -9.689 1.00 0.00 O ATOM 712 CB GLU A 47 2.283 -1.091 -9.860 1.00 0.00 C ATOM 713 CG GLU A 47 3.584 -1.740 -9.413 1.00 0.00 C ATOM 714 CD GLU A 47 4.803 -1.101 -10.044 1.00 0.00 C ATOM 715 OE1 GLU A 47 5.206 -1.538 -11.140 1.00 0.00 O ATOM 716 OE2 GLU A 47 5.356 -0.152 -9.446 1.00 0.00 O ATOM 0 H GLU A 47 0.948 -3.758 -8.831 1.00 0.00 H new ATOM 0 HA GLU A 47 1.191 -1.679 -8.119 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.192 -1.183 -10.942 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.319 -0.026 -9.633 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.664 -1.673 -8.328 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.562 -2.800 -9.666 1.00 0.00 H new ATOM 723 N ASN A 48 -1.339 -1.572 -9.559 1.00 0.00 N ATOM 724 CA ASN A 48 -2.619 -0.914 -9.757 1.00 0.00 C ATOM 725 C ASN A 48 -3.209 -0.534 -8.411 1.00 0.00 C ATOM 726 O ASN A 48 -3.777 -1.371 -7.707 1.00 0.00 O ATOM 727 CB ASN A 48 -3.602 -1.811 -10.524 1.00 0.00 C ATOM 728 CG ASN A 48 -3.383 -1.804 -12.030 1.00 0.00 C ATOM 729 OD1 ASN A 48 -2.143 -1.634 -12.463 1.00 0.00 O flip ATOM 730 ND2 ASN A 48 -4.330 -1.965 -12.803 1.00 0.00 N flip ATOM 0 H ASN A 48 -1.397 -2.586 -9.461 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.451 -0.018 -10.354 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -3.511 -2.833 -10.157 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.620 -1.485 -10.312 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -5.273 -2.093 -12.435 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -4.171 -1.970 -13.810 1.00 0.00 H new ATOM 737 N VAL A 49 -3.043 0.723 -8.040 1.00 0.00 N ATOM 738 CA VAL A 49 -3.526 1.208 -6.757 1.00 0.00 C ATOM 739 C VAL A 49 -4.951 1.720 -6.901 1.00 0.00 C ATOM 740 O VAL A 49 -5.189 2.722 -7.566 1.00 0.00 O ATOM 741 CB VAL A 49 -2.632 2.339 -6.209 1.00 0.00 C ATOM 742 CG1 VAL A 49 -2.899 2.565 -4.729 1.00 0.00 C ATOM 743 CG2 VAL A 49 -1.164 2.034 -6.455 1.00 0.00 C ATOM 0 H VAL A 49 -2.576 1.429 -8.610 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.498 0.375 -6.054 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.879 3.257 -6.742 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.258 3.367 -4.362 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.944 2.841 -4.586 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.687 1.649 -4.177 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.553 2.845 -6.060 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.897 1.103 -5.956 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.987 1.935 -7.526 1.00 0.00 H new ATOM 753 N HIS A 50 -5.898 1.023 -6.298 1.00 0.00 N ATOM 754 CA HIS A 50 -7.304 1.391 -6.408 1.00 0.00 C ATOM 755 C HIS A 50 -7.713 2.305 -5.261 1.00 0.00 C ATOM 756 O HIS A 50 -8.063 1.831 -4.181 1.00 0.00 O ATOM 757 CB HIS A 50 -8.196 0.139 -6.414 1.00 0.00 C ATOM 758 CG HIS A 50 -8.074 -0.712 -7.647 1.00 0.00 C ATOM 759 ND1 HIS A 50 -9.156 -1.298 -8.265 1.00 0.00 N ATOM 760 CD2 HIS A 50 -6.988 -1.091 -8.364 1.00 0.00 C ATOM 761 CE1 HIS A 50 -8.743 -2.000 -9.304 1.00 0.00 C ATOM 762 NE2 HIS A 50 -7.430 -1.893 -9.388 1.00 0.00 N ATOM 0 H HIS A 50 -5.721 0.197 -5.726 1.00 0.00 H new ATOM 0 HA HIS A 50 -7.436 1.924 -7.350 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -7.951 -0.469 -5.543 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -9.235 0.449 -6.304 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -5.963 -0.813 -8.166 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -9.374 -2.567 -9.973 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -6.841 -2.333 -10.096 1.00 0.00 H new ATOM 771 N ILE A 51 -7.649 3.610 -5.489 1.00 0.00 N ATOM 772 CA ILE A 51 -8.031 4.581 -4.471 1.00 0.00 C ATOM 773 C ILE A 51 -9.535 4.816 -4.491 1.00 0.00 C ATOM 774 O ILE A 51 -10.062 5.470 -5.389 1.00 0.00 O ATOM 775 CB ILE A 51 -7.307 5.946 -4.646 1.00 0.00 C ATOM 776 CG1 ILE A 51 -5.806 5.827 -4.367 1.00 0.00 C ATOM 777 CG2 ILE A 51 -7.917 7.001 -3.737 1.00 0.00 C ATOM 778 CD1 ILE A 51 -5.015 5.236 -5.508 1.00 0.00 C ATOM 0 H ILE A 51 -7.337 4.021 -6.369 1.00 0.00 H new ATOM 0 HA ILE A 51 -7.729 4.156 -3.514 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.439 6.250 -5.684 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.410 6.816 -4.138 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.659 5.211 -3.479 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.395 7.947 -3.876 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -8.971 7.128 -3.984 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.823 6.684 -2.698 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.962 5.185 -5.233 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.382 4.233 -5.724 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.129 5.863 -6.393 1.00 0.00 H new ATOM 790 N VAL A 52 -10.226 4.264 -3.512 1.00 0.00 N ATOM 791 CA VAL A 52 -11.635 4.548 -3.350 1.00 0.00 C ATOM 792 C VAL A 52 -11.779 5.794 -2.497 1.00 0.00 C ATOM 793 O VAL A 52 -11.383 5.807 -1.332 1.00 0.00 O ATOM 794 CB VAL A 52 -12.406 3.381 -2.697 1.00 0.00 C ATOM 795 CG1 VAL A 52 -13.905 3.640 -2.746 1.00 0.00 C ATOM 796 CG2 VAL A 52 -12.064 2.061 -3.373 1.00 0.00 C ATOM 0 H VAL A 52 -9.836 3.621 -2.823 1.00 0.00 H new ATOM 0 HA VAL A 52 -12.066 4.696 -4.340 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.103 3.313 -1.652 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -14.433 2.808 -2.281 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -14.133 4.560 -2.208 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -14.224 3.738 -3.784 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -12.619 1.253 -2.896 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -12.333 2.112 -4.428 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -10.995 1.871 -3.280 1.00 0.00 H new ATOM 806 N LEU A 53 -12.298 6.851 -3.095 1.00 0.00 N ATOM 807 CA LEU A 53 -12.430 8.128 -2.411 1.00 0.00 C ATOM 808 C LEU A 53 -13.414 8.035 -1.251 1.00 0.00 C ATOM 809 O LEU A 53 -13.032 7.796 -0.108 1.00 0.00 O ATOM 810 CB LEU A 53 -12.893 9.200 -3.398 1.00 0.00 C ATOM 811 CG LEU A 53 -11.945 9.456 -4.563 1.00 0.00 C ATOM 812 CD1 LEU A 53 -12.508 10.535 -5.472 1.00 0.00 C ATOM 813 CD2 LEU A 53 -10.569 9.843 -4.047 1.00 0.00 C ATOM 0 H LEU A 53 -12.637 6.852 -4.057 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.454 8.398 -2.008 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -13.865 8.909 -3.797 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -13.038 10.134 -2.855 1.00 0.00 H new ATOM 0 HG LEU A 53 -11.845 8.540 -5.145 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -11.821 10.708 -6.300 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -13.474 10.214 -5.863 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -12.634 11.458 -4.906 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -9.902 10.023 -4.890 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -10.647 10.749 -3.446 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.170 9.035 -3.434 1.00 0.00 H new ATOM 825 N LYS A 54 -14.680 8.211 -1.566 1.00 0.00 N ATOM 826 CA LYS A 54 -15.738 8.147 -0.581 1.00 0.00 C ATOM 827 C LYS A 54 -16.645 6.965 -0.900 1.00 0.00 C ATOM 828 O LYS A 54 -16.698 5.994 -0.148 1.00 0.00 O ATOM 829 CB LYS A 54 -16.508 9.473 -0.577 1.00 0.00 C ATOM 830 CG LYS A 54 -17.705 9.512 0.353 1.00 0.00 C ATOM 831 CD LYS A 54 -18.271 10.919 0.446 1.00 0.00 C ATOM 832 CE LYS A 54 -19.670 10.929 1.036 1.00 0.00 C ATOM 833 NZ LYS A 54 -20.660 10.320 0.110 1.00 0.00 N ATOM 0 H LYS A 54 -15.005 8.403 -2.514 1.00 0.00 H new ATOM 0 HA LYS A 54 -15.326 7.997 0.417 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -15.823 10.274 -0.298 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -16.847 9.683 -1.591 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -18.474 8.829 -0.008 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -17.412 9.167 1.345 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -17.614 11.535 1.060 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -18.293 11.368 -0.547 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -19.671 10.384 1.980 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -19.964 11.955 1.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -21.622 10.523 0.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -20.536 10.719 -0.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -20.516 9.291 0.075 1.00 0.00 H new ATOM 847 N ASN A 55 -17.329 7.048 -2.035 1.00 0.00 N ATOM 848 CA ASN A 55 -18.158 5.947 -2.526 1.00 0.00 C ATOM 849 C ASN A 55 -18.633 6.249 -3.943 1.00 0.00 C ATOM 850 O ASN A 55 -19.601 5.668 -4.430 1.00 0.00 O ATOM 851 CB ASN A 55 -19.367 5.716 -1.604 1.00 0.00 C ATOM 852 CG ASN A 55 -20.329 6.891 -1.579 1.00 0.00 C ATOM 853 OD1 ASN A 55 -20.152 7.835 -0.809 1.00 0.00 O ATOM 854 ND2 ASN A 55 -21.364 6.833 -2.402 1.00 0.00 N ATOM 0 H ASN A 55 -17.327 7.871 -2.638 1.00 0.00 H new ATOM 0 HA ASN A 55 -17.555 5.039 -2.533 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -19.901 4.824 -1.931 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -19.013 5.522 -0.592 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -22.050 7.588 -2.413 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -21.476 6.033 -3.025 1.00 0.00 H new ATOM 861 N ASP A 56 -17.922 7.144 -4.617 1.00 0.00 N ATOM 862 CA ASP A 56 -18.381 7.668 -5.896 1.00 0.00 C ATOM 863 C ASP A 56 -17.472 7.242 -7.037 1.00 0.00 C ATOM 864 O ASP A 56 -17.931 7.028 -8.156 1.00 0.00 O ATOM 865 CB ASP A 56 -18.454 9.194 -5.836 1.00 0.00 C ATOM 866 CG ASP A 56 -19.306 9.677 -4.683 1.00 0.00 C ATOM 867 OD1 ASP A 56 -18.762 9.840 -3.568 1.00 0.00 O ATOM 868 OD2 ASP A 56 -20.524 9.880 -4.880 1.00 0.00 O ATOM 0 H ASP A 56 -17.029 7.521 -4.300 1.00 0.00 H new ATOM 0 HA ASP A 56 -19.373 7.258 -6.087 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -17.448 9.601 -5.738 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -18.862 9.574 -6.772 1.00 0.00 H new ATOM 873 N ASN A 57 -16.184 7.125 -6.757 1.00 0.00 N ATOM 874 CA ASN A 57 -15.223 6.753 -7.785 1.00 0.00 C ATOM 875 C ASN A 57 -14.012 6.067 -7.169 1.00 0.00 C ATOM 876 O ASN A 57 -13.650 6.332 -6.019 1.00 0.00 O ATOM 877 CB ASN A 57 -14.795 7.993 -8.587 1.00 0.00 C ATOM 878 CG ASN A 57 -13.861 7.665 -9.744 1.00 0.00 C ATOM 879 OD1 ASN A 57 -13.892 6.563 -10.297 1.00 0.00 O ATOM 880 ND2 ASN A 57 -13.042 8.629 -10.136 1.00 0.00 N ATOM 0 H ASN A 57 -15.781 7.281 -5.833 1.00 0.00 H new ATOM 0 HA ASN A 57 -15.700 6.048 -8.465 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -15.683 8.491 -8.975 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -14.301 8.698 -7.918 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -12.409 8.473 -10.920 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -13.045 9.528 -9.654 1.00 0.00 H new ATOM 887 N THR A 58 -13.418 5.168 -7.932 1.00 0.00 N ATOM 888 CA THR A 58 -12.225 4.462 -7.516 1.00 0.00 C ATOM 889 C THR A 58 -11.091 4.741 -8.497 1.00 0.00 C ATOM 890 O THR A 58 -11.090 4.237 -9.621 1.00 0.00 O ATOM 891 CB THR A 58 -12.481 2.946 -7.438 1.00 0.00 C ATOM 892 OG1 THR A 58 -13.610 2.695 -6.592 1.00 0.00 O ATOM 893 CG2 THR A 58 -11.261 2.213 -6.900 1.00 0.00 C ATOM 0 H THR A 58 -13.752 4.908 -8.860 1.00 0.00 H new ATOM 0 HA THR A 58 -11.946 4.816 -6.524 1.00 0.00 H new ATOM 0 HB THR A 58 -12.684 2.577 -8.443 1.00 0.00 H new ATOM 0 HG1 THR A 58 -13.774 1.730 -6.543 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.469 1.144 -6.855 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.411 2.390 -7.559 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.028 2.579 -5.900 1.00 0.00 H new ATOM 901 N VAL A 59 -10.139 5.559 -8.074 1.00 0.00 N ATOM 902 CA VAL A 59 -9.029 5.947 -8.928 1.00 0.00 C ATOM 903 C VAL A 59 -7.949 4.873 -8.906 1.00 0.00 C ATOM 904 O VAL A 59 -7.209 4.745 -7.935 1.00 0.00 O ATOM 905 CB VAL A 59 -8.421 7.297 -8.485 1.00 0.00 C ATOM 906 CG1 VAL A 59 -7.347 7.750 -9.460 1.00 0.00 C ATOM 907 CG2 VAL A 59 -9.505 8.356 -8.350 1.00 0.00 C ATOM 0 H VAL A 59 -10.114 5.968 -7.140 1.00 0.00 H new ATOM 0 HA VAL A 59 -9.415 6.059 -9.941 1.00 0.00 H new ATOM 0 HB VAL A 59 -7.957 7.157 -7.509 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.933 8.702 -9.129 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.554 7.004 -9.500 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.783 7.870 -10.452 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.056 9.299 -8.037 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.002 8.492 -9.310 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -10.234 8.037 -7.606 1.00 0.00 H new ATOM 917 N LEU A 60 -7.888 4.080 -9.963 1.00 0.00 N ATOM 918 CA LEU A 60 -6.897 3.022 -10.054 1.00 0.00 C ATOM 919 C LEU A 60 -5.656 3.514 -10.791 1.00 0.00 C ATOM 920 O LEU A 60 -5.721 3.919 -11.952 1.00 0.00 O ATOM 921 CB LEU A 60 -7.473 1.763 -10.725 1.00 0.00 C ATOM 922 CG LEU A 60 -7.958 1.910 -12.174 1.00 0.00 C ATOM 923 CD1 LEU A 60 -8.138 0.536 -12.797 1.00 0.00 C ATOM 924 CD2 LEU A 60 -9.269 2.684 -12.245 1.00 0.00 C ATOM 0 H LEU A 60 -8.511 4.149 -10.768 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.609 2.746 -9.039 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.710 0.985 -10.700 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.309 1.409 -10.122 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.204 2.470 -12.728 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -8.482 0.645 -13.825 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.186 0.005 -12.787 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.875 -0.029 -12.226 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.585 2.770 -13.285 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -10.034 2.156 -11.676 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.127 3.680 -11.825 1.00 0.00 H new ATOM 936 N LEU A 61 -4.534 3.493 -10.092 1.00 0.00 N ATOM 937 CA LEU A 61 -3.273 3.974 -10.637 1.00 0.00 C ATOM 938 C LEU A 61 -2.510 2.849 -11.315 1.00 0.00 C ATOM 939 O LEU A 61 -2.922 1.690 -11.274 1.00 0.00 O ATOM 940 CB LEU A 61 -2.401 4.553 -9.525 1.00 0.00 C ATOM 941 CG LEU A 61 -3.104 5.513 -8.568 1.00 0.00 C ATOM 942 CD1 LEU A 61 -2.138 5.979 -7.494 1.00 0.00 C ATOM 943 CD2 LEU A 61 -3.675 6.702 -9.320 1.00 0.00 C ATOM 0 H LEU A 61 -4.470 3.144 -9.136 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.504 4.747 -11.370 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.988 3.728 -8.945 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.560 5.075 -9.982 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.930 4.984 -8.093 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.649 6.663 -6.817 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.774 5.118 -6.933 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.296 6.491 -7.959 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.171 7.372 -8.618 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.869 7.236 -9.823 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.396 6.353 -10.059 1.00 0.00 H new ATOM 955 N LYS A 62 -1.387 3.203 -11.919 1.00 0.00 N ATOM 956 CA LYS A 62 -0.503 2.232 -12.535 1.00 0.00 C ATOM 957 C LYS A 62 0.950 2.642 -12.323 1.00 0.00 C ATOM 958 O LYS A 62 1.340 3.761 -12.655 1.00 0.00 O ATOM 959 CB LYS A 62 -0.793 2.110 -14.034 1.00 0.00 C ATOM 960 CG LYS A 62 0.194 1.219 -14.772 1.00 0.00 C ATOM 961 CD LYS A 62 -0.083 1.196 -16.266 1.00 0.00 C ATOM 962 CE LYS A 62 0.990 0.428 -17.023 1.00 0.00 C ATOM 963 NZ LYS A 62 2.337 1.033 -16.845 1.00 0.00 N ATOM 0 H LYS A 62 -1.065 4.168 -11.995 1.00 0.00 H new ATOM 0 HA LYS A 62 -0.677 1.263 -12.067 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.800 1.715 -14.170 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.778 3.104 -14.481 1.00 0.00 H new ATOM 0 HG2 LYS A 62 1.209 1.575 -14.595 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.137 0.205 -14.375 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.056 0.739 -16.449 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.134 2.217 -16.643 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.008 -0.606 -16.678 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.740 0.405 -18.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.813 1.099 -17.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.239 1.985 -16.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.903 0.439 -16.205 1.00 0.00 H new ATOM 1039 N ILE A 67 7.439 -5.415 -11.977 1.00 0.00 N ATOM 1040 CA ILE A 67 8.638 -5.134 -11.160 1.00 0.00 C ATOM 1041 C ILE A 67 9.061 -6.294 -10.233 1.00 0.00 C ATOM 1042 O ILE A 67 10.205 -6.751 -10.294 1.00 0.00 O ATOM 1043 CB ILE A 67 8.545 -3.791 -10.362 1.00 0.00 C ATOM 1044 CG1 ILE A 67 9.932 -3.381 -9.867 1.00 0.00 C ATOM 1045 CG2 ILE A 67 7.582 -3.861 -9.180 1.00 0.00 C ATOM 1046 CD1 ILE A 67 10.913 -3.095 -10.984 1.00 0.00 C ATOM 0 HA ILE A 67 9.430 -5.023 -11.900 1.00 0.00 H new ATOM 0 HB ILE A 67 8.151 -3.045 -11.052 1.00 0.00 H new ATOM 0 HG12 ILE A 67 9.838 -2.494 -9.241 1.00 0.00 H new ATOM 0 HG13 ILE A 67 10.333 -4.175 -9.237 1.00 0.00 H new ATOM 0 HG21 ILE A 67 7.563 -2.899 -8.669 1.00 0.00 H new ATOM 0 HG22 ILE A 67 6.581 -4.100 -9.540 1.00 0.00 H new ATOM 0 HG23 ILE A 67 7.913 -4.634 -8.486 1.00 0.00 H new ATOM 0 HD11 ILE A 67 11.875 -2.810 -10.559 1.00 0.00 H new ATOM 0 HD12 ILE A 67 11.037 -3.988 -11.597 1.00 0.00 H new ATOM 0 HD13 ILE A 67 10.534 -2.281 -11.602 1.00 0.00 H new ATOM 1058 N VAL A 68 8.158 -6.773 -9.400 1.00 0.00 N ATOM 1059 CA VAL A 68 8.475 -7.796 -8.420 1.00 0.00 C ATOM 1060 C VAL A 68 7.531 -8.986 -8.555 1.00 0.00 C ATOM 1061 O VAL A 68 6.326 -8.818 -8.745 1.00 0.00 O ATOM 1062 CB VAL A 68 8.416 -7.221 -6.983 1.00 0.00 C ATOM 1063 CG1 VAL A 68 7.027 -6.690 -6.655 1.00 0.00 C ATOM 1064 CG2 VAL A 68 8.856 -8.256 -5.958 1.00 0.00 C ATOM 0 H VAL A 68 7.186 -6.466 -9.382 1.00 0.00 H new ATOM 0 HA VAL A 68 9.492 -8.139 -8.611 1.00 0.00 H new ATOM 0 HB VAL A 68 9.113 -6.384 -6.937 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.019 -6.294 -5.640 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.766 -5.897 -7.356 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.300 -7.499 -6.734 1.00 0.00 H new ATOM 0 HG21 VAL A 68 8.804 -7.823 -4.959 1.00 0.00 H new ATOM 0 HG22 VAL A 68 8.199 -9.124 -6.012 1.00 0.00 H new ATOM 0 HG23 VAL A 68 9.881 -8.563 -6.168 1.00 0.00 H new ATOM 1074 N SER A 69 8.084 -10.185 -8.477 1.00 0.00 N ATOM 1075 CA SER A 69 7.296 -11.394 -8.618 1.00 0.00 C ATOM 1076 C SER A 69 6.625 -11.755 -7.296 1.00 0.00 C ATOM 1077 O SER A 69 7.286 -12.189 -6.351 1.00 0.00 O ATOM 1078 CB SER A 69 8.183 -12.548 -9.091 1.00 0.00 C ATOM 1079 OG SER A 69 8.856 -12.213 -10.294 1.00 0.00 O ATOM 0 H SER A 69 9.078 -10.345 -8.316 1.00 0.00 H new ATOM 0 HA SER A 69 6.519 -11.216 -9.362 1.00 0.00 H new ATOM 0 HB2 SER A 69 8.912 -12.791 -8.318 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.574 -13.439 -9.247 1.00 0.00 H new ATOM 0 HG SER A 69 9.418 -12.965 -10.575 1.00 0.00 H new ATOM 1085 N VAL A 70 5.316 -11.546 -7.230 1.00 0.00 N ATOM 1086 CA VAL A 70 4.540 -11.937 -6.065 1.00 0.00 C ATOM 1087 C VAL A 70 4.483 -13.458 -5.975 1.00 0.00 C ATOM 1088 O VAL A 70 3.906 -14.122 -6.840 1.00 0.00 O ATOM 1089 CB VAL A 70 3.111 -11.357 -6.115 1.00 0.00 C ATOM 1090 CG1 VAL A 70 2.289 -11.815 -4.917 1.00 0.00 C ATOM 1091 CG2 VAL A 70 3.164 -9.837 -6.178 1.00 0.00 C ATOM 0 H VAL A 70 4.771 -11.107 -7.972 1.00 0.00 H new ATOM 0 HA VAL A 70 5.031 -11.534 -5.179 1.00 0.00 H new ATOM 0 HB VAL A 70 2.623 -11.730 -7.015 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.287 -11.391 -4.980 1.00 0.00 H new ATOM 0 HG12 VAL A 70 2.223 -12.903 -4.916 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.768 -11.480 -3.997 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.150 -9.439 -6.213 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.674 -9.454 -5.294 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.706 -9.529 -7.072 1.00 0.00 H new ATOM 1101 N LYS A 71 5.103 -13.996 -4.942 1.00 0.00 N ATOM 1102 CA LYS A 71 5.229 -15.434 -4.784 1.00 0.00 C ATOM 1103 C LYS A 71 3.987 -15.991 -4.111 1.00 0.00 C ATOM 1104 O LYS A 71 3.495 -15.416 -3.142 1.00 0.00 O ATOM 1105 CB LYS A 71 6.483 -15.756 -3.964 1.00 0.00 C ATOM 1106 CG LYS A 71 6.887 -17.222 -3.989 1.00 0.00 C ATOM 1107 CD LYS A 71 8.188 -17.455 -3.233 1.00 0.00 C ATOM 1108 CE LYS A 71 9.346 -16.666 -3.834 1.00 0.00 C ATOM 1109 NZ LYS A 71 9.668 -17.108 -5.219 1.00 0.00 N ATOM 0 H LYS A 71 5.532 -13.453 -4.192 1.00 0.00 H new ATOM 0 HA LYS A 71 5.326 -15.900 -5.764 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.312 -15.156 -4.339 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.314 -15.455 -2.930 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.095 -17.826 -3.547 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.001 -17.552 -5.022 1.00 0.00 H new ATOM 0 HD2 LYS A 71 8.057 -17.169 -2.189 1.00 0.00 H new ATOM 0 HD3 LYS A 71 8.429 -18.518 -3.244 1.00 0.00 H new ATOM 0 HE2 LYS A 71 9.095 -15.605 -3.842 1.00 0.00 H new ATOM 0 HE3 LYS A 71 10.228 -16.781 -3.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 10.523 -16.617 -5.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 9.834 -18.135 -5.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.873 -16.881 -5.850 1.00 0.00 H new ATOM 1123 N PHE A 72 3.473 -17.101 -4.636 1.00 0.00 N ATOM 1124 CA PHE A 72 2.267 -17.703 -4.089 1.00 0.00 C ATOM 1125 C PHE A 72 2.525 -18.258 -2.689 1.00 0.00 C ATOM 1126 O PHE A 72 2.976 -19.389 -2.506 1.00 0.00 O ATOM 1127 CB PHE A 72 1.689 -18.779 -5.035 1.00 0.00 C ATOM 1128 CG PHE A 72 2.566 -19.981 -5.276 1.00 0.00 C ATOM 1129 CD1 PHE A 72 3.700 -19.889 -6.064 1.00 0.00 C ATOM 1130 CD2 PHE A 72 2.239 -21.211 -4.725 1.00 0.00 C ATOM 1131 CE1 PHE A 72 4.495 -20.993 -6.291 1.00 0.00 C ATOM 1132 CE2 PHE A 72 3.032 -22.319 -4.947 1.00 0.00 C ATOM 1133 CZ PHE A 72 4.162 -22.210 -5.732 1.00 0.00 C ATOM 0 H PHE A 72 3.872 -17.596 -5.434 1.00 0.00 H new ATOM 0 HA PHE A 72 1.512 -16.921 -4.002 1.00 0.00 H new ATOM 0 HB2 PHE A 72 0.739 -19.122 -4.626 1.00 0.00 H new ATOM 0 HB3 PHE A 72 1.473 -18.312 -5.996 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.966 -18.941 -6.507 1.00 0.00 H new ATOM 0 HD2 PHE A 72 1.353 -21.303 -4.115 1.00 0.00 H new ATOM 0 HE1 PHE A 72 5.378 -20.905 -6.906 1.00 0.00 H new ATOM 0 HE2 PHE A 72 2.769 -23.270 -4.507 1.00 0.00 H new ATOM 0 HZ PHE A 72 4.784 -23.075 -5.908 1.00 0.00 H new ATOM 1143 N SER A 73 2.305 -17.411 -1.704 1.00 0.00 N ATOM 1144 CA SER A 73 2.463 -17.793 -0.315 1.00 0.00 C ATOM 1145 C SER A 73 1.444 -17.066 0.554 1.00 0.00 C ATOM 1146 O SER A 73 0.648 -16.263 0.058 1.00 0.00 O ATOM 1147 CB SER A 73 3.885 -17.472 0.161 1.00 0.00 C ATOM 1148 OG SER A 73 4.855 -18.081 -0.679 1.00 0.00 O ATOM 0 H SER A 73 2.013 -16.443 -1.842 1.00 0.00 H new ATOM 0 HA SER A 73 2.294 -18.866 -0.227 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.034 -16.392 0.170 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.016 -17.820 1.185 1.00 0.00 H new ATOM 0 HG SER A 73 5.753 -17.860 -0.355 1.00 0.00 H new ATOM 1154 N LYS A 74 1.462 -17.369 1.840 1.00 0.00 N ATOM 1155 CA LYS A 74 0.623 -16.685 2.807 1.00 0.00 C ATOM 1156 C LYS A 74 1.298 -16.692 4.174 1.00 0.00 C ATOM 1157 O LYS A 74 0.908 -17.431 5.080 1.00 0.00 O ATOM 1158 CB LYS A 74 -0.776 -17.317 2.879 1.00 0.00 C ATOM 1159 CG LYS A 74 -0.776 -18.837 2.905 1.00 0.00 C ATOM 1160 CD LYS A 74 -2.142 -19.386 3.281 1.00 0.00 C ATOM 1161 CE LYS A 74 -2.192 -20.900 3.156 1.00 0.00 C ATOM 1162 NZ LYS A 74 -1.058 -21.564 3.856 1.00 0.00 N ATOM 0 H LYS A 74 2.057 -18.094 2.242 1.00 0.00 H new ATOM 0 HA LYS A 74 0.494 -15.652 2.484 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -1.282 -16.950 3.772 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -1.359 -16.980 2.022 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -0.486 -19.219 1.926 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -0.031 -19.190 3.619 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.381 -19.097 4.304 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -2.902 -18.942 2.638 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -3.133 -21.265 3.567 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -2.176 -21.176 2.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -1.239 -22.586 3.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.179 -21.400 3.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -0.963 -21.170 4.814 1.00 0.00 H new ATOM 1176 N ASP A 75 2.345 -15.890 4.298 1.00 0.00 N ATOM 1177 CA ASP A 75 3.101 -15.801 5.541 1.00 0.00 C ATOM 1178 C ASP A 75 2.965 -14.410 6.136 1.00 0.00 C ATOM 1179 O ASP A 75 3.322 -13.419 5.501 1.00 0.00 O ATOM 1180 CB ASP A 75 4.577 -16.125 5.301 1.00 0.00 C ATOM 1181 CG ASP A 75 5.399 -16.075 6.576 1.00 0.00 C ATOM 1182 OD1 ASP A 75 5.494 -17.110 7.270 1.00 0.00 O ATOM 1183 OD2 ASP A 75 5.951 -15.008 6.893 1.00 0.00 O ATOM 0 H ASP A 75 2.692 -15.289 3.551 1.00 0.00 H new ATOM 0 HA ASP A 75 2.696 -16.531 6.242 1.00 0.00 H new ATOM 0 HB2 ASP A 75 4.660 -17.117 4.858 1.00 0.00 H new ATOM 0 HB3 ASP A 75 4.988 -15.418 4.580 1.00 0.00 H new ATOM 1188 N ARG A 76 2.447 -14.332 7.353 1.00 0.00 N ATOM 1189 CA ARG A 76 2.209 -13.040 7.977 1.00 0.00 C ATOM 1190 C ARG A 76 3.410 -12.613 8.812 1.00 0.00 C ATOM 1191 O ARG A 76 3.515 -11.456 9.209 1.00 0.00 O ATOM 1192 CB ARG A 76 0.947 -13.065 8.844 1.00 0.00 C ATOM 1193 CG ARG A 76 1.108 -13.799 10.164 1.00 0.00 C ATOM 1194 CD ARG A 76 -0.125 -13.648 11.040 1.00 0.00 C ATOM 1195 NE ARG A 76 0.131 -14.086 12.412 1.00 0.00 N ATOM 1196 CZ ARG A 76 -0.709 -13.911 13.433 1.00 0.00 C ATOM 1197 NH1 ARG A 76 -1.908 -13.379 13.242 1.00 0.00 N ATOM 1198 NH2 ARG A 76 -0.346 -14.288 14.653 1.00 0.00 N ATOM 0 H ARG A 76 2.186 -15.138 7.922 1.00 0.00 H new ATOM 0 HA ARG A 76 2.060 -12.313 7.179 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.640 -12.039 9.048 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.141 -13.532 8.278 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.293 -14.856 9.973 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.980 -13.413 10.692 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -0.444 -12.606 11.044 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -0.945 -14.230 10.619 1.00 0.00 H new ATOM 0 HE ARG A 76 1.015 -14.559 12.601 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -2.198 -13.098 12.305 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -2.541 -13.251 14.032 1.00 0.00 H new ATOM 0 HH21 ARG A 76 0.571 -14.709 14.805 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -0.984 -14.157 15.438 1.00 0.00 H new ATOM 1212 N HIS A 77 4.317 -13.548 9.066 1.00 0.00 N ATOM 1213 CA HIS A 77 5.502 -13.261 9.867 1.00 0.00 C ATOM 1214 C HIS A 77 6.471 -12.378 9.089 1.00 0.00 C ATOM 1215 O HIS A 77 7.072 -11.461 9.650 1.00 0.00 O ATOM 1216 CB HIS A 77 6.188 -14.559 10.304 1.00 0.00 C ATOM 1217 CG HIS A 77 7.448 -14.346 11.088 1.00 0.00 C ATOM 1218 ND1 HIS A 77 7.520 -13.540 12.205 1.00 0.00 N ATOM 1219 CD2 HIS A 77 8.695 -14.838 10.906 1.00 0.00 C ATOM 1220 CE1 HIS A 77 8.754 -13.550 12.672 1.00 0.00 C ATOM 1221 NE2 HIS A 77 9.488 -14.329 11.903 1.00 0.00 N ATOM 0 H HIS A 77 4.256 -14.509 8.730 1.00 0.00 H new ATOM 0 HA HIS A 77 5.188 -12.724 10.762 1.00 0.00 H new ATOM 0 HB2 HIS A 77 5.491 -15.142 10.906 1.00 0.00 H new ATOM 0 HB3 HIS A 77 6.418 -15.153 9.419 1.00 0.00 H new ATOM 0 HD1 HIS A 77 6.741 -13.018 12.607 1.00 0.00 H new ATOM 0 HD2 HIS A 77 9.009 -15.509 10.120 1.00 0.00 H new ATOM 0 HE1 HIS A 77 9.104 -13.010 13.539 1.00 0.00 H new ATOM 1230 N LEU A 78 6.618 -12.657 7.802 1.00 0.00 N ATOM 1231 CA LEU A 78 7.442 -11.827 6.937 1.00 0.00 C ATOM 1232 C LEU A 78 6.836 -10.436 6.842 1.00 0.00 C ATOM 1233 O LEU A 78 7.546 -9.435 6.922 1.00 0.00 O ATOM 1234 CB LEU A 78 7.576 -12.456 5.545 1.00 0.00 C ATOM 1235 CG LEU A 78 8.516 -11.716 4.586 1.00 0.00 C ATOM 1236 CD1 LEU A 78 9.912 -11.605 5.181 1.00 0.00 C ATOM 1237 CD2 LEU A 78 8.570 -12.422 3.241 1.00 0.00 C ATOM 0 H LEU A 78 6.178 -13.450 7.335 1.00 0.00 H new ATOM 0 HA LEU A 78 8.442 -11.752 7.365 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.931 -13.480 5.659 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.587 -12.510 5.091 1.00 0.00 H new ATOM 0 HG LEU A 78 8.125 -10.710 4.435 1.00 0.00 H new ATOM 0 HD11 LEU A 78 10.563 -11.077 4.485 1.00 0.00 H new ATOM 0 HD12 LEU A 78 9.864 -11.056 6.121 1.00 0.00 H new ATOM 0 HD13 LEU A 78 10.310 -12.603 5.364 1.00 0.00 H new ATOM 0 HD21 LEU A 78 9.242 -11.882 2.574 1.00 0.00 H new ATOM 0 HD22 LEU A 78 8.935 -13.440 3.379 1.00 0.00 H new ATOM 0 HD23 LEU A 78 7.571 -12.451 2.805 1.00 0.00 H new ATOM 1249 N ILE A 79 5.515 -10.383 6.700 1.00 0.00 N ATOM 1250 CA ILE A 79 4.789 -9.120 6.714 1.00 0.00 C ATOM 1251 C ILE A 79 5.066 -8.386 8.017 1.00 0.00 C ATOM 1252 O ILE A 79 5.437 -7.220 8.018 1.00 0.00 O ATOM 1253 CB ILE A 79 3.268 -9.337 6.589 1.00 0.00 C ATOM 1254 CG1 ILE A 79 2.942 -10.150 5.337 1.00 0.00 C ATOM 1255 CG2 ILE A 79 2.542 -7.998 6.563 1.00 0.00 C ATOM 1256 CD1 ILE A 79 1.482 -10.528 5.230 1.00 0.00 C ATOM 0 H ILE A 79 4.924 -11.205 6.573 1.00 0.00 H new ATOM 0 HA ILE A 79 5.130 -8.535 5.860 1.00 0.00 H new ATOM 0 HB ILE A 79 2.926 -9.898 7.459 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.226 -9.576 4.455 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.546 -11.057 5.335 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.469 -8.168 6.474 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.749 -7.454 7.485 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.888 -7.413 5.711 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.321 -11.103 4.318 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.198 -11.129 6.094 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.873 -9.624 5.201 1.00 0.00 H new ATOM 1268 N GLU A 80 4.899 -9.110 9.116 1.00 0.00 N ATOM 1269 CA GLU A 80 5.153 -8.599 10.457 1.00 0.00 C ATOM 1270 C GLU A 80 6.552 -7.988 10.558 1.00 0.00 C ATOM 1271 O GLU A 80 6.714 -6.856 11.019 1.00 0.00 O ATOM 1272 CB GLU A 80 4.997 -9.752 11.448 1.00 0.00 C ATOM 1273 CG GLU A 80 5.281 -9.404 12.894 1.00 0.00 C ATOM 1274 CD GLU A 80 5.204 -10.628 13.777 1.00 0.00 C ATOM 1275 OE1 GLU A 80 6.077 -11.517 13.650 1.00 0.00 O ATOM 1276 OE2 GLU A 80 4.261 -10.731 14.585 1.00 0.00 O ATOM 0 H GLU A 80 4.580 -10.079 9.101 1.00 0.00 H new ATOM 0 HA GLU A 80 4.438 -7.809 10.687 1.00 0.00 H new ATOM 0 HB2 GLU A 80 3.979 -10.136 11.377 1.00 0.00 H new ATOM 0 HB3 GLU A 80 5.664 -10.560 11.148 1.00 0.00 H new ATOM 0 HG2 GLU A 80 6.271 -8.956 12.975 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.565 -8.658 13.239 1.00 0.00 H new ATOM 1283 N THR A 81 7.553 -8.736 10.108 1.00 0.00 N ATOM 1284 CA THR A 81 8.930 -8.257 10.114 1.00 0.00 C ATOM 1285 C THR A 81 9.079 -7.021 9.225 1.00 0.00 C ATOM 1286 O THR A 81 9.787 -6.077 9.571 1.00 0.00 O ATOM 1287 CB THR A 81 9.903 -9.359 9.639 1.00 0.00 C ATOM 1288 OG1 THR A 81 9.777 -10.511 10.485 1.00 0.00 O ATOM 1289 CG2 THR A 81 11.346 -8.866 9.662 1.00 0.00 C ATOM 0 H THR A 81 7.436 -9.678 9.734 1.00 0.00 H new ATOM 0 HA THR A 81 9.180 -7.988 11.140 1.00 0.00 H new ATOM 0 HB THR A 81 9.646 -9.622 8.613 1.00 0.00 H new ATOM 0 HG1 THR A 81 8.919 -10.952 10.312 1.00 0.00 H new ATOM 0 HG21 THR A 81 12.008 -9.663 9.323 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.447 -8.005 9.002 1.00 0.00 H new ATOM 0 HG23 THR A 81 11.616 -8.578 10.678 1.00 0.00 H new ATOM 1297 N THR A 82 8.386 -7.023 8.095 1.00 0.00 N ATOM 1298 CA THR A 82 8.439 -5.910 7.160 1.00 0.00 C ATOM 1299 C THR A 82 7.781 -4.665 7.762 1.00 0.00 C ATOM 1300 O THR A 82 8.339 -3.564 7.700 1.00 0.00 O ATOM 1301 CB THR A 82 7.752 -6.281 5.831 1.00 0.00 C ATOM 1302 OG1 THR A 82 8.305 -7.501 5.324 1.00 0.00 O ATOM 1303 CG2 THR A 82 7.931 -5.188 4.794 1.00 0.00 C ATOM 0 H THR A 82 7.778 -7.788 7.803 1.00 0.00 H new ATOM 0 HA THR A 82 9.487 -5.688 6.960 1.00 0.00 H new ATOM 0 HB THR A 82 6.687 -6.404 6.028 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.107 -8.233 5.945 1.00 0.00 H new ATOM 0 HG21 THR A 82 7.435 -5.480 3.868 1.00 0.00 H new ATOM 0 HG22 THR A 82 7.493 -4.261 5.163 1.00 0.00 H new ATOM 0 HG23 THR A 82 8.994 -5.037 4.604 1.00 0.00 H new ATOM 1311 N SER A 83 6.611 -4.854 8.368 1.00 0.00 N ATOM 1312 CA SER A 83 5.894 -3.773 9.031 1.00 0.00 C ATOM 1313 C SER A 83 6.749 -3.141 10.121 1.00 0.00 C ATOM 1314 O SER A 83 6.791 -1.916 10.267 1.00 0.00 O ATOM 1315 CB SER A 83 4.594 -4.305 9.635 1.00 0.00 C ATOM 1316 OG SER A 83 3.737 -4.812 8.630 1.00 0.00 O ATOM 0 H SER A 83 6.137 -5.756 8.412 1.00 0.00 H new ATOM 0 HA SER A 83 5.664 -3.009 8.289 1.00 0.00 H new ATOM 0 HB2 SER A 83 4.819 -5.091 10.356 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.089 -3.507 10.180 1.00 0.00 H new ATOM 0 HG SER A 83 2.932 -4.256 8.576 1.00 0.00 H new ATOM 1322 N ASN A 84 7.436 -3.982 10.882 1.00 0.00 N ATOM 1323 CA ASN A 84 8.313 -3.506 11.937 1.00 0.00 C ATOM 1324 C ASN A 84 9.547 -2.834 11.350 1.00 0.00 C ATOM 1325 O ASN A 84 9.990 -1.799 11.840 1.00 0.00 O ATOM 1326 CB ASN A 84 8.727 -4.660 12.857 1.00 0.00 C ATOM 1327 CG ASN A 84 7.588 -5.153 13.728 1.00 0.00 C ATOM 1328 OD1 ASN A 84 6.685 -4.393 14.081 1.00 0.00 O ATOM 1329 ND2 ASN A 84 7.623 -6.428 14.084 1.00 0.00 N ATOM 0 H ASN A 84 7.401 -4.997 10.787 1.00 0.00 H new ATOM 0 HA ASN A 84 7.765 -2.770 12.526 1.00 0.00 H new ATOM 0 HB2 ASN A 84 9.099 -5.486 12.251 1.00 0.00 H new ATOM 0 HB3 ASN A 84 9.550 -4.335 13.493 1.00 0.00 H new ATOM 0 HD21 ASN A 84 6.884 -6.814 14.672 1.00 0.00 H new ATOM 0 HD22 ASN A 84 8.389 -7.024 13.770 1.00 0.00 H new ATOM 1336 N LYS A 85 10.085 -3.414 10.281 1.00 0.00 N ATOM 1337 CA LYS A 85 11.301 -2.901 9.662 1.00 0.00 C ATOM 1338 C LYS A 85 11.090 -1.495 9.106 1.00 0.00 C ATOM 1339 O LYS A 85 11.947 -0.629 9.261 1.00 0.00 O ATOM 1340 CB LYS A 85 11.801 -3.852 8.564 1.00 0.00 C ATOM 1341 CG LYS A 85 13.117 -3.418 7.943 1.00 0.00 C ATOM 1342 CD LYS A 85 13.737 -4.499 7.068 1.00 0.00 C ATOM 1343 CE LYS A 85 12.815 -4.927 5.934 1.00 0.00 C ATOM 1344 NZ LYS A 85 13.533 -5.749 4.920 1.00 0.00 N ATOM 0 H LYS A 85 9.697 -4.240 9.826 1.00 0.00 H new ATOM 0 HA LYS A 85 12.066 -2.842 10.436 1.00 0.00 H new ATOM 0 HB2 LYS A 85 11.918 -4.851 8.985 1.00 0.00 H new ATOM 0 HB3 LYS A 85 11.045 -3.922 7.782 1.00 0.00 H new ATOM 0 HG2 LYS A 85 12.954 -2.521 7.345 1.00 0.00 H new ATOM 0 HG3 LYS A 85 13.817 -3.151 8.734 1.00 0.00 H new ATOM 0 HD2 LYS A 85 14.675 -4.132 6.651 1.00 0.00 H new ATOM 0 HD3 LYS A 85 13.979 -5.366 7.683 1.00 0.00 H new ATOM 0 HE2 LYS A 85 11.980 -5.498 6.340 1.00 0.00 H new ATOM 0 HE3 LYS A 85 12.394 -4.043 5.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 12.848 -6.333 4.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 14.031 -5.123 4.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 14.221 -6.365 5.397 1.00 0.00 H new ATOM 1358 N LEU A 86 9.952 -1.248 8.475 1.00 0.00 N ATOM 1359 CA LEU A 86 9.661 0.088 7.964 1.00 0.00 C ATOM 1360 C LEU A 86 9.378 1.048 9.109 1.00 0.00 C ATOM 1361 O LEU A 86 9.846 2.183 9.112 1.00 0.00 O ATOM 1362 CB LEU A 86 8.465 0.074 7.011 1.00 0.00 C ATOM 1363 CG LEU A 86 8.083 1.447 6.441 1.00 0.00 C ATOM 1364 CD1 LEU A 86 9.172 1.968 5.514 1.00 0.00 C ATOM 1365 CD2 LEU A 86 6.752 1.378 5.712 1.00 0.00 C ATOM 0 H LEU A 86 9.223 -1.941 8.305 1.00 0.00 H new ATOM 0 HA LEU A 86 10.541 0.423 7.415 1.00 0.00 H new ATOM 0 HB2 LEU A 86 8.686 -0.599 6.183 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.604 -0.338 7.537 1.00 0.00 H new ATOM 0 HG LEU A 86 7.981 2.141 7.275 1.00 0.00 H new ATOM 0 HD11 LEU A 86 8.880 2.942 5.121 1.00 0.00 H new ATOM 0 HD12 LEU A 86 10.106 2.065 6.068 1.00 0.00 H new ATOM 0 HD13 LEU A 86 9.311 1.271 4.688 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.502 2.363 5.317 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.823 0.665 4.891 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.974 1.057 6.405 1.00 0.00 H new ATOM 1377 N LYS A 87 8.625 0.573 10.088 1.00 0.00 N ATOM 1378 CA LYS A 87 8.159 1.420 11.177 1.00 0.00 C ATOM 1379 C LYS A 87 9.303 1.827 12.105 1.00 0.00 C ATOM 1380 O LYS A 87 9.365 2.971 12.558 1.00 0.00 O ATOM 1381 CB LYS A 87 7.068 0.680 11.956 1.00 0.00 C ATOM 1382 CG LYS A 87 6.304 1.548 12.941 1.00 0.00 C ATOM 1383 CD LYS A 87 5.144 0.797 13.594 1.00 0.00 C ATOM 1384 CE LYS A 87 4.061 0.400 12.589 1.00 0.00 C ATOM 1385 NZ LYS A 87 4.359 -0.885 11.892 1.00 0.00 N ATOM 0 H LYS A 87 8.322 -0.399 10.152 1.00 0.00 H new ATOM 0 HA LYS A 87 7.750 2.338 10.754 1.00 0.00 H new ATOM 0 HB2 LYS A 87 6.362 0.248 11.247 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.524 -0.149 12.498 1.00 0.00 H new ATOM 0 HG2 LYS A 87 6.985 1.903 13.714 1.00 0.00 H new ATOM 0 HG3 LYS A 87 5.920 2.428 12.425 1.00 0.00 H new ATOM 0 HD2 LYS A 87 5.526 -0.099 14.084 1.00 0.00 H new ATOM 0 HD3 LYS A 87 4.703 1.422 14.371 1.00 0.00 H new ATOM 0 HE2 LYS A 87 3.106 0.314 13.107 1.00 0.00 H new ATOM 0 HE3 LYS A 87 3.952 1.192 11.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 3.471 -1.319 11.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 4.973 -0.701 11.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 4.842 -1.532 12.548 1.00 0.00 H new ATOM 1399 N SER A 88 10.212 0.901 12.371 1.00 0.00 N ATOM 1400 CA SER A 88 11.293 1.145 13.316 1.00 0.00 C ATOM 1401 C SER A 88 12.577 1.622 12.629 1.00 0.00 C ATOM 1402 O SER A 88 13.297 2.462 13.172 1.00 0.00 O ATOM 1403 CB SER A 88 11.569 -0.129 14.121 1.00 0.00 C ATOM 1404 OG SER A 88 10.392 -0.576 14.777 1.00 0.00 O ATOM 0 H SER A 88 10.223 -0.026 11.946 1.00 0.00 H new ATOM 0 HA SER A 88 10.972 1.946 13.982 1.00 0.00 H new ATOM 0 HB2 SER A 88 11.940 -0.910 13.458 1.00 0.00 H new ATOM 0 HB3 SER A 88 12.350 0.062 14.857 1.00 0.00 H new ATOM 0 HG SER A 88 10.589 -1.391 15.284 1.00 0.00 H new ATOM 1410 N ARG A 89 12.865 1.098 11.443 1.00 0.00 N ATOM 1411 CA ARG A 89 14.137 1.381 10.779 1.00 0.00 C ATOM 1412 C ARG A 89 13.994 2.498 9.754 1.00 0.00 C ATOM 1413 O ARG A 89 14.956 3.214 9.474 1.00 0.00 O ATOM 1414 CB ARG A 89 14.656 0.129 10.071 1.00 0.00 C ATOM 1415 CG ARG A 89 16.147 0.154 9.779 1.00 0.00 C ATOM 1416 CD ARG A 89 16.558 -1.048 8.947 1.00 0.00 C ATOM 1417 NE ARG A 89 18.009 -1.210 8.886 1.00 0.00 N ATOM 1418 CZ ARG A 89 18.705 -1.281 7.754 1.00 0.00 C ATOM 1419 NH1 ARG A 89 18.118 -1.038 6.589 1.00 0.00 N ATOM 1420 NH2 ARG A 89 19.996 -1.571 7.785 1.00 0.00 N ATOM 0 H ARG A 89 12.242 0.480 10.923 1.00 0.00 H new ATOM 0 HA ARG A 89 14.842 1.696 11.549 1.00 0.00 H new ATOM 0 HB2 ARG A 89 14.432 -0.742 10.686 1.00 0.00 H new ATOM 0 HB3 ARG A 89 14.115 0.005 9.133 1.00 0.00 H new ATOM 0 HG2 ARG A 89 16.402 1.072 9.249 1.00 0.00 H new ATOM 0 HG3 ARG A 89 16.705 0.161 10.715 1.00 0.00 H new ATOM 0 HD2 ARG A 89 16.111 -1.949 9.368 1.00 0.00 H new ATOM 0 HD3 ARG A 89 16.164 -0.940 7.937 1.00 0.00 H new ATOM 0 HE ARG A 89 18.520 -1.273 9.766 1.00 0.00 H new ATOM 0 HH11 ARG A 89 17.128 -0.795 6.558 1.00 0.00 H new ATOM 0 HH12 ARG A 89 18.657 -1.094 5.725 1.00 0.00 H new ATOM 0 HH21 ARG A 89 20.459 -1.741 8.678 1.00 0.00 H new ATOM 0 HH22 ARG A 89 20.528 -1.625 6.916 1.00 0.00 H new ATOM 1434 N GLU A 90 12.787 2.636 9.210 1.00 0.00 N ATOM 1435 CA GLU A 90 12.527 3.555 8.101 1.00 0.00 C ATOM 1436 C GLU A 90 13.330 3.136 6.870 1.00 0.00 C ATOM 1437 O GLU A 90 14.322 3.769 6.505 1.00 0.00 O ATOM 1438 CB GLU A 90 12.839 5.007 8.484 1.00 0.00 C ATOM 1439 CG GLU A 90 11.995 5.530 9.636 1.00 0.00 C ATOM 1440 CD GLU A 90 12.387 6.928 10.053 1.00 0.00 C ATOM 1441 OE1 GLU A 90 13.424 7.080 10.732 1.00 0.00 O ATOM 1442 OE2 GLU A 90 11.660 7.889 9.710 1.00 0.00 O ATOM 0 H GLU A 90 11.965 2.118 9.522 1.00 0.00 H new ATOM 0 HA GLU A 90 11.464 3.503 7.864 1.00 0.00 H new ATOM 0 HB2 GLU A 90 13.893 5.084 8.753 1.00 0.00 H new ATOM 0 HB3 GLU A 90 12.685 5.644 7.613 1.00 0.00 H new ATOM 0 HG2 GLU A 90 10.945 5.522 9.345 1.00 0.00 H new ATOM 0 HG3 GLU A 90 12.094 4.859 10.489 1.00 0.00 H new ATOM 1449 N ILE A 91 12.928 2.019 6.277 1.00 0.00 N ATOM 1450 CA ILE A 91 13.545 1.534 5.045 1.00 0.00 C ATOM 1451 C ILE A 91 12.902 2.187 3.826 1.00 0.00 C ATOM 1452 O ILE A 91 11.991 3.004 3.959 1.00 0.00 O ATOM 1453 CB ILE A 91 13.414 0.005 4.907 1.00 0.00 C ATOM 1454 CG1 ILE A 91 11.937 -0.406 4.918 1.00 0.00 C ATOM 1455 CG2 ILE A 91 14.176 -0.690 6.023 1.00 0.00 C ATOM 1456 CD1 ILE A 91 11.703 -1.863 4.589 1.00 0.00 C ATOM 0 H ILE A 91 12.175 1.429 6.630 1.00 0.00 H new ATOM 0 HA ILE A 91 14.601 1.798 5.097 1.00 0.00 H new ATOM 0 HB ILE A 91 13.846 -0.301 3.954 1.00 0.00 H new ATOM 0 HG12 ILE A 91 11.519 -0.194 5.902 1.00 0.00 H new ATOM 0 HG13 ILE A 91 11.394 0.210 4.201 1.00 0.00 H new ATOM 0 HG21 ILE A 91 14.076 -1.770 5.914 1.00 0.00 H new ATOM 0 HG22 ILE A 91 15.230 -0.416 5.969 1.00 0.00 H new ATOM 0 HG23 ILE A 91 13.770 -0.383 6.987 1.00 0.00 H new ATOM 0 HD11 ILE A 91 10.634 -2.075 4.617 1.00 0.00 H new ATOM 0 HD12 ILE A 91 12.089 -2.078 3.593 1.00 0.00 H new ATOM 0 HD13 ILE A 91 12.216 -2.488 5.320 1.00 0.00 H new ATOM 1468 N THR A 92 13.371 1.812 2.642 1.00 0.00 N ATOM 1469 CA THR A 92 12.823 2.345 1.406 1.00 0.00 C ATOM 1470 C THR A 92 11.466 1.713 1.120 1.00 0.00 C ATOM 1471 O THR A 92 11.260 0.522 1.370 1.00 0.00 O ATOM 1472 CB THR A 92 13.764 2.074 0.216 1.00 0.00 C ATOM 1473 OG1 THR A 92 15.125 2.190 0.639 1.00 0.00 O ATOM 1474 CG2 THR A 92 13.501 3.050 -0.919 1.00 0.00 C ATOM 0 H THR A 92 14.129 1.141 2.514 1.00 0.00 H new ATOM 0 HA THR A 92 12.714 3.422 1.529 1.00 0.00 H new ATOM 0 HB THR A 92 13.575 1.063 -0.145 1.00 0.00 H new ATOM 0 HG1 THR A 92 15.441 1.322 0.967 1.00 0.00 H new ATOM 0 HG21 THR A 92 14.178 2.837 -1.746 1.00 0.00 H new ATOM 0 HG22 THR A 92 12.470 2.945 -1.258 1.00 0.00 H new ATOM 0 HG23 THR A 92 13.666 4.069 -0.568 1.00 0.00 H new ATOM 1482 N PHE A 93 10.547 2.503 0.583 1.00 0.00 N ATOM 1483 CA PHE A 93 9.209 2.017 0.282 1.00 0.00 C ATOM 1484 C PHE A 93 9.271 0.902 -0.762 1.00 0.00 C ATOM 1485 O PHE A 93 8.443 -0.012 -0.765 1.00 0.00 O ATOM 1486 CB PHE A 93 8.328 3.164 -0.219 1.00 0.00 C ATOM 1487 CG PHE A 93 6.878 2.793 -0.373 1.00 0.00 C ATOM 1488 CD1 PHE A 93 6.038 2.762 0.729 1.00 0.00 C ATOM 1489 CD2 PHE A 93 6.356 2.481 -1.617 1.00 0.00 C ATOM 1490 CE1 PHE A 93 4.706 2.426 0.592 1.00 0.00 C ATOM 1491 CE2 PHE A 93 5.023 2.144 -1.761 1.00 0.00 C ATOM 1492 CZ PHE A 93 4.198 2.116 -0.656 1.00 0.00 C ATOM 0 H PHE A 93 10.704 3.483 0.347 1.00 0.00 H new ATOM 0 HA PHE A 93 8.772 1.614 1.196 1.00 0.00 H new ATOM 0 HB2 PHE A 93 8.408 4.001 0.475 1.00 0.00 H new ATOM 0 HB3 PHE A 93 8.709 3.509 -1.180 1.00 0.00 H new ATOM 0 HD1 PHE A 93 6.430 3.003 1.706 1.00 0.00 H new ATOM 0 HD2 PHE A 93 6.998 2.501 -2.485 1.00 0.00 H new ATOM 0 HE1 PHE A 93 4.062 2.405 1.458 1.00 0.00 H new ATOM 0 HE2 PHE A 93 4.628 1.903 -2.737 1.00 0.00 H new ATOM 0 HZ PHE A 93 3.156 1.852 -0.765 1.00 0.00 H new ATOM 1502 N GLN A 94 10.272 0.973 -1.637 1.00 0.00 N ATOM 1503 CA GLN A 94 10.464 -0.044 -2.662 1.00 0.00 C ATOM 1504 C GLN A 94 10.805 -1.391 -2.026 1.00 0.00 C ATOM 1505 O GLN A 94 10.334 -2.437 -2.474 1.00 0.00 O ATOM 1506 CB GLN A 94 11.566 0.372 -3.639 1.00 0.00 C ATOM 1507 CG GLN A 94 11.732 -0.597 -4.798 1.00 0.00 C ATOM 1508 CD GLN A 94 12.769 -0.157 -5.815 1.00 0.00 C ATOM 1509 OE1 GLN A 94 12.642 -0.461 -7.001 1.00 0.00 O ATOM 1510 NE2 GLN A 94 13.807 0.531 -5.364 1.00 0.00 N ATOM 0 H GLN A 94 10.961 1.725 -1.655 1.00 0.00 H new ATOM 0 HA GLN A 94 9.531 -0.146 -3.216 1.00 0.00 H new ATOM 0 HB2 GLN A 94 11.340 1.363 -4.032 1.00 0.00 H new ATOM 0 HB3 GLN A 94 12.510 0.450 -3.100 1.00 0.00 H new ATOM 0 HG2 GLN A 94 12.012 -1.575 -4.406 1.00 0.00 H new ATOM 0 HG3 GLN A 94 10.772 -0.718 -5.300 1.00 0.00 H new ATOM 0 HE21 GLN A 94 13.874 0.762 -4.373 1.00 0.00 H new ATOM 0 HE22 GLN A 94 14.540 0.830 -6.008 1.00 0.00 H new ATOM 1519 N GLU A 95 11.604 -1.359 -0.968 1.00 0.00 N ATOM 1520 CA GLU A 95 11.968 -2.573 -0.248 1.00 0.00 C ATOM 1521 C GLU A 95 10.745 -3.147 0.452 1.00 0.00 C ATOM 1522 O GLU A 95 10.572 -4.363 0.546 1.00 0.00 O ATOM 1523 CB GLU A 95 13.056 -2.275 0.785 1.00 0.00 C ATOM 1524 CG GLU A 95 14.304 -1.644 0.196 1.00 0.00 C ATOM 1525 CD GLU A 95 15.314 -1.261 1.255 1.00 0.00 C ATOM 1526 OE1 GLU A 95 15.218 -0.143 1.800 1.00 0.00 O ATOM 1527 OE2 GLU A 95 16.215 -2.075 1.545 1.00 0.00 O ATOM 0 H GLU A 95 12.013 -0.505 -0.589 1.00 0.00 H new ATOM 0 HA GLU A 95 12.350 -3.300 -0.965 1.00 0.00 H new ATOM 0 HB2 GLU A 95 12.649 -1.610 1.546 1.00 0.00 H new ATOM 0 HB3 GLU A 95 13.331 -3.203 1.287 1.00 0.00 H new ATOM 0 HG2 GLU A 95 14.764 -2.341 -0.505 1.00 0.00 H new ATOM 0 HG3 GLU A 95 14.025 -0.757 -0.373 1.00 0.00 H new ATOM 1534 N TYR A 96 9.884 -2.248 0.908 1.00 0.00 N ATOM 1535 CA TYR A 96 8.696 -2.615 1.660 1.00 0.00 C ATOM 1536 C TYR A 96 7.745 -3.427 0.789 1.00 0.00 C ATOM 1537 O TYR A 96 7.290 -4.502 1.178 1.00 0.00 O ATOM 1538 CB TYR A 96 8.013 -1.344 2.168 1.00 0.00 C ATOM 1539 CG TYR A 96 6.965 -1.575 3.232 1.00 0.00 C ATOM 1540 CD1 TYR A 96 7.329 -1.945 4.519 1.00 0.00 C ATOM 1541 CD2 TYR A 96 5.618 -1.399 2.958 1.00 0.00 C ATOM 1542 CE1 TYR A 96 6.379 -2.129 5.503 1.00 0.00 C ATOM 1543 CE2 TYR A 96 4.660 -1.588 3.938 1.00 0.00 C ATOM 1544 CZ TYR A 96 5.049 -1.951 5.208 1.00 0.00 C ATOM 1545 OH TYR A 96 4.107 -2.125 6.191 1.00 0.00 O ATOM 0 H TYR A 96 9.991 -1.244 0.766 1.00 0.00 H new ATOM 0 HA TYR A 96 8.980 -3.234 2.511 1.00 0.00 H new ATOM 0 HB2 TYR A 96 8.774 -0.673 2.566 1.00 0.00 H new ATOM 0 HB3 TYR A 96 7.549 -0.835 1.324 1.00 0.00 H new ATOM 0 HD1 TYR A 96 8.373 -2.091 4.754 1.00 0.00 H new ATOM 0 HD2 TYR A 96 5.311 -1.110 1.964 1.00 0.00 H new ATOM 0 HE1 TYR A 96 6.680 -2.412 6.501 1.00 0.00 H new ATOM 0 HE2 TYR A 96 3.614 -1.452 3.708 1.00 0.00 H new ATOM 0 HH TYR A 96 3.422 -2.753 5.880 1.00 0.00 H new ATOM 1555 N ARG A 97 7.469 -2.918 -0.405 1.00 0.00 N ATOM 1556 CA ARG A 97 6.578 -3.598 -1.341 1.00 0.00 C ATOM 1557 C ARG A 97 7.170 -4.926 -1.825 1.00 0.00 C ATOM 1558 O ARG A 97 6.434 -5.878 -2.081 1.00 0.00 O ATOM 1559 CB ARG A 97 6.256 -2.693 -2.536 1.00 0.00 C ATOM 1560 CG ARG A 97 7.476 -2.009 -3.127 1.00 0.00 C ATOM 1561 CD ARG A 97 7.416 -1.920 -4.647 1.00 0.00 C ATOM 1562 NE ARG A 97 6.381 -1.002 -5.127 1.00 0.00 N ATOM 1563 CZ ARG A 97 6.232 -0.658 -6.414 1.00 0.00 C ATOM 1564 NH1 ARG A 97 7.083 -1.093 -7.333 1.00 0.00 N ATOM 1565 NH2 ARG A 97 5.248 0.146 -6.781 1.00 0.00 N ATOM 0 H ARG A 97 7.849 -2.036 -0.750 1.00 0.00 H new ATOM 0 HA ARG A 97 5.654 -3.820 -0.807 1.00 0.00 H new ATOM 0 HB2 ARG A 97 5.772 -3.287 -3.311 1.00 0.00 H new ATOM 0 HB3 ARG A 97 5.540 -1.933 -2.223 1.00 0.00 H new ATOM 0 HG2 ARG A 97 7.563 -1.005 -2.711 1.00 0.00 H new ATOM 0 HG3 ARG A 97 8.373 -2.555 -2.833 1.00 0.00 H new ATOM 0 HD2 ARG A 97 8.385 -1.595 -5.025 1.00 0.00 H new ATOM 0 HD3 ARG A 97 7.231 -2.913 -5.056 1.00 0.00 H new ATOM 0 HE ARG A 97 5.738 -0.602 -4.444 1.00 0.00 H new ATOM 0 HH11 ARG A 97 7.861 -1.696 -7.064 1.00 0.00 H new ATOM 0 HH12 ARG A 97 6.960 -0.825 -8.309 1.00 0.00 H new ATOM 0 HH21 ARG A 97 4.598 0.508 -6.083 1.00 0.00 H new ATOM 0 HH22 ARG A 97 5.139 0.404 -7.762 1.00 0.00 H new ATOM 1579 N ARG A 98 8.497 -4.993 -1.939 1.00 0.00 N ATOM 1580 CA ARG A 98 9.157 -6.218 -2.392 1.00 0.00 C ATOM 1581 C ARG A 98 8.999 -7.332 -1.363 1.00 0.00 C ATOM 1582 O ARG A 98 8.701 -8.475 -1.716 1.00 0.00 O ATOM 1583 CB ARG A 98 10.645 -5.984 -2.662 1.00 0.00 C ATOM 1584 CG ARG A 98 10.923 -5.090 -3.856 1.00 0.00 C ATOM 1585 CD ARG A 98 12.408 -5.040 -4.177 1.00 0.00 C ATOM 1586 NE ARG A 98 12.711 -4.074 -5.232 1.00 0.00 N ATOM 1587 CZ ARG A 98 12.793 -4.382 -6.528 1.00 0.00 C ATOM 1588 NH1 ARG A 98 12.643 -5.637 -6.929 1.00 0.00 N ATOM 1589 NH2 ARG A 98 13.052 -3.436 -7.423 1.00 0.00 N ATOM 0 H ARG A 98 9.130 -4.222 -1.726 1.00 0.00 H new ATOM 0 HA ARG A 98 8.676 -6.517 -3.323 1.00 0.00 H new ATOM 0 HB2 ARG A 98 11.099 -5.541 -1.776 1.00 0.00 H new ATOM 0 HB3 ARG A 98 11.131 -6.947 -2.821 1.00 0.00 H new ATOM 0 HG2 ARG A 98 10.374 -5.457 -4.723 1.00 0.00 H new ATOM 0 HG3 ARG A 98 10.559 -4.083 -3.651 1.00 0.00 H new ATOM 0 HD2 ARG A 98 12.964 -4.779 -3.277 1.00 0.00 H new ATOM 0 HD3 ARG A 98 12.745 -6.030 -4.485 1.00 0.00 H new ATOM 0 HE ARG A 98 12.870 -3.104 -4.960 1.00 0.00 H new ATOM 0 HH11 ARG A 98 12.464 -6.373 -6.246 1.00 0.00 H new ATOM 0 HH12 ARG A 98 12.707 -5.867 -7.921 1.00 0.00 H new ATOM 0 HH21 ARG A 98 13.189 -2.472 -7.121 1.00 0.00 H new ATOM 0 HH22 ARG A 98 13.114 -3.674 -8.413 1.00 0.00 H new ATOM 1603 N ASN A 99 9.194 -6.988 -0.094 1.00 0.00 N ATOM 1604 CA ASN A 99 9.086 -7.961 0.995 1.00 0.00 C ATOM 1605 C ASN A 99 7.677 -8.532 1.070 1.00 0.00 C ATOM 1606 O ASN A 99 7.494 -9.737 1.241 1.00 0.00 O ATOM 1607 CB ASN A 99 9.457 -7.321 2.341 1.00 0.00 C ATOM 1608 CG ASN A 99 10.957 -7.168 2.554 1.00 0.00 C ATOM 1609 OD1 ASN A 99 11.437 -7.178 3.688 1.00 0.00 O ATOM 1610 ND2 ASN A 99 11.711 -7.020 1.478 1.00 0.00 N ATOM 0 H ASN A 99 9.428 -6.043 0.209 1.00 0.00 H new ATOM 0 HA ASN A 99 9.786 -8.770 0.786 1.00 0.00 H new ATOM 0 HB2 ASN A 99 8.988 -6.340 2.408 1.00 0.00 H new ATOM 0 HB3 ASN A 99 9.045 -7.927 3.147 1.00 0.00 H new ATOM 0 HD21 ASN A 99 12.720 -6.910 1.574 1.00 0.00 H new ATOM 0 HD22 ASN A 99 11.283 -7.016 0.552 1.00 0.00 H new ATOM 1617 N LEU A 100 6.687 -7.660 0.920 1.00 0.00 N ATOM 1618 CA LEU A 100 5.288 -8.060 0.979 1.00 0.00 C ATOM 1619 C LEU A 100 4.932 -8.985 -0.183 1.00 0.00 C ATOM 1620 O LEU A 100 4.194 -9.958 -0.011 1.00 0.00 O ATOM 1621 CB LEU A 100 4.391 -6.821 0.955 1.00 0.00 C ATOM 1622 CG LEU A 100 4.601 -5.849 2.117 1.00 0.00 C ATOM 1623 CD1 LEU A 100 3.807 -4.577 1.901 1.00 0.00 C ATOM 1624 CD2 LEU A 100 4.196 -6.494 3.427 1.00 0.00 C ATOM 0 H LEU A 100 6.830 -6.664 0.755 1.00 0.00 H new ATOM 0 HA LEU A 100 5.127 -8.605 1.909 1.00 0.00 H new ATOM 0 HB2 LEU A 100 4.559 -6.287 0.020 1.00 0.00 H new ATOM 0 HB3 LEU A 100 3.350 -7.144 0.955 1.00 0.00 H new ATOM 0 HG LEU A 100 5.660 -5.596 2.160 1.00 0.00 H new ATOM 0 HD11 LEU A 100 3.970 -3.899 2.739 1.00 0.00 H new ATOM 0 HD12 LEU A 100 4.132 -4.097 0.978 1.00 0.00 H new ATOM 0 HD13 LEU A 100 2.746 -4.818 1.831 1.00 0.00 H new ATOM 0 HD21 LEU A 100 4.352 -5.789 4.243 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.143 -6.773 3.385 1.00 0.00 H new ATOM 0 HD23 LEU A 100 4.801 -7.385 3.596 1.00 0.00 H new ATOM 1636 N ALA A 101 5.475 -8.684 -1.357 1.00 0.00 N ATOM 1637 CA ALA A 101 5.197 -9.466 -2.557 1.00 0.00 C ATOM 1638 C ALA A 101 5.642 -10.915 -2.393 1.00 0.00 C ATOM 1639 O ALA A 101 4.937 -11.841 -2.792 1.00 0.00 O ATOM 1640 CB ALA A 101 5.878 -8.838 -3.762 1.00 0.00 C ATOM 0 H ALA A 101 6.112 -7.901 -1.504 1.00 0.00 H new ATOM 0 HA ALA A 101 4.119 -9.465 -2.716 1.00 0.00 H new ATOM 0 HB1 ALA A 101 5.663 -9.431 -4.651 1.00 0.00 H new ATOM 0 HB2 ALA A 101 5.505 -7.824 -3.903 1.00 0.00 H new ATOM 0 HB3 ALA A 101 6.955 -8.809 -3.597 1.00 0.00 H new ATOM 1646 N LYS A 102 6.807 -11.113 -1.794 1.00 0.00 N ATOM 1647 CA LYS A 102 7.332 -12.459 -1.600 1.00 0.00 C ATOM 1648 C LYS A 102 6.670 -13.152 -0.411 1.00 0.00 C ATOM 1649 O LYS A 102 6.808 -14.360 -0.235 1.00 0.00 O ATOM 1650 CB LYS A 102 8.851 -12.431 -1.423 1.00 0.00 C ATOM 1651 CG LYS A 102 9.610 -12.164 -2.718 1.00 0.00 C ATOM 1652 CD LYS A 102 11.113 -12.185 -2.491 1.00 0.00 C ATOM 1653 CE LYS A 102 11.888 -12.088 -3.798 1.00 0.00 C ATOM 1654 NZ LYS A 102 11.590 -10.832 -4.540 1.00 0.00 N ATOM 0 H LYS A 102 7.403 -10.367 -1.436 1.00 0.00 H new ATOM 0 HA LYS A 102 7.097 -13.033 -2.496 1.00 0.00 H new ATOM 0 HB2 LYS A 102 9.110 -11.662 -0.695 1.00 0.00 H new ATOM 0 HB3 LYS A 102 9.178 -13.385 -1.010 1.00 0.00 H new ATOM 0 HG2 LYS A 102 9.342 -12.915 -3.461 1.00 0.00 H new ATOM 0 HG3 LYS A 102 9.315 -11.196 -3.122 1.00 0.00 H new ATOM 0 HD2 LYS A 102 11.393 -11.356 -1.841 1.00 0.00 H new ATOM 0 HD3 LYS A 102 11.389 -13.104 -1.973 1.00 0.00 H new ATOM 0 HE2 LYS A 102 12.957 -12.139 -3.589 1.00 0.00 H new ATOM 0 HE3 LYS A 102 11.645 -12.945 -4.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 12.202 -10.771 -5.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 10.594 -10.833 -4.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 11.766 -10.014 -3.922 1.00 0.00 H new ATOM 1668 N ALA A 103 5.947 -12.386 0.398 1.00 0.00 N ATOM 1669 CA ALA A 103 5.224 -12.950 1.535 1.00 0.00 C ATOM 1670 C ALA A 103 3.885 -13.520 1.088 1.00 0.00 C ATOM 1671 O ALA A 103 3.235 -14.272 1.819 1.00 0.00 O ATOM 1672 CB ALA A 103 5.018 -11.897 2.614 1.00 0.00 C ATOM 0 H ALA A 103 5.845 -11.377 0.290 1.00 0.00 H new ATOM 0 HA ALA A 103 5.822 -13.760 1.953 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.478 -12.336 3.453 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.987 -11.533 2.957 1.00 0.00 H new ATOM 0 HB3 ALA A 103 4.442 -11.066 2.206 1.00 0.00 H new ATOM 1678 N GLY A 104 3.481 -13.156 -0.121 1.00 0.00 N ATOM 1679 CA GLY A 104 2.229 -13.637 -0.663 1.00 0.00 C ATOM 1680 C GLY A 104 1.152 -12.574 -0.667 1.00 0.00 C ATOM 1681 O GLY A 104 -0.013 -12.861 -0.945 1.00 0.00 O ATOM 0 H GLY A 104 4.002 -12.533 -0.738 1.00 0.00 H new ATOM 0 HA2 GLY A 104 2.390 -13.990 -1.682 1.00 0.00 H new ATOM 0 HA3 GLY A 104 1.889 -14.492 -0.079 1.00 0.00 H new ATOM 1685 N VAL A 105 1.537 -11.342 -0.357 1.00 0.00 N ATOM 1686 CA VAL A 105 0.593 -10.235 -0.343 1.00 0.00 C ATOM 1687 C VAL A 105 0.317 -9.764 -1.760 1.00 0.00 C ATOM 1688 O VAL A 105 1.229 -9.365 -2.483 1.00 0.00 O ATOM 1689 CB VAL A 105 1.106 -9.046 0.496 1.00 0.00 C ATOM 1690 CG1 VAL A 105 0.062 -7.935 0.556 1.00 0.00 C ATOM 1691 CG2 VAL A 105 1.480 -9.499 1.896 1.00 0.00 C ATOM 0 H VAL A 105 2.494 -11.086 -0.113 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.325 -10.602 0.115 1.00 0.00 H new ATOM 0 HB VAL A 105 1.999 -8.651 0.012 1.00 0.00 H new ATOM 0 HG11 VAL A 105 0.445 -7.107 1.153 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -0.155 -7.585 -0.453 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -0.851 -8.318 1.011 1.00 0.00 H new ATOM 0 HG21 VAL A 105 1.839 -8.645 2.471 1.00 0.00 H new ATOM 0 HG22 VAL A 105 0.605 -9.924 2.387 1.00 0.00 H new ATOM 0 HG23 VAL A 105 2.265 -10.253 1.837 1.00 0.00 H new ATOM 1701 N PHE A 106 -0.939 -9.831 -2.158 1.00 0.00 N ATOM 1702 CA PHE A 106 -1.333 -9.410 -3.489 1.00 0.00 C ATOM 1703 C PHE A 106 -2.329 -8.261 -3.400 1.00 0.00 C ATOM 1704 O PHE A 106 -2.426 -7.431 -4.303 1.00 0.00 O ATOM 1705 CB PHE A 106 -1.940 -10.591 -4.250 1.00 0.00 C ATOM 1706 CG PHE A 106 -2.213 -10.314 -5.703 1.00 0.00 C ATOM 1707 CD1 PHE A 106 -1.179 -10.301 -6.626 1.00 0.00 C ATOM 1708 CD2 PHE A 106 -3.505 -10.076 -6.148 1.00 0.00 C ATOM 1709 CE1 PHE A 106 -1.427 -10.056 -7.963 1.00 0.00 C ATOM 1710 CE2 PHE A 106 -3.759 -9.828 -7.482 1.00 0.00 C ATOM 1711 CZ PHE A 106 -2.718 -9.819 -8.392 1.00 0.00 C ATOM 0 H PHE A 106 -1.705 -10.173 -1.578 1.00 0.00 H new ATOM 0 HA PHE A 106 -0.453 -9.062 -4.030 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -1.264 -11.443 -4.175 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -2.873 -10.880 -3.765 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -0.167 -10.485 -6.296 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -4.322 -10.085 -5.442 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -0.612 -10.050 -8.672 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -4.769 -9.641 -7.814 1.00 0.00 H new ATOM 0 HZ PHE A 106 -2.914 -9.627 -9.437 1.00 0.00 H new ATOM 1721 N ARG A 107 -3.053 -8.210 -2.292 1.00 0.00 N ATOM 1722 CA ARG A 107 -4.060 -7.188 -2.082 1.00 0.00 C ATOM 1723 C ARG A 107 -3.780 -6.418 -0.793 1.00 0.00 C ATOM 1724 O ARG A 107 -4.072 -6.880 0.311 1.00 0.00 O ATOM 1725 CB ARG A 107 -5.455 -7.823 -2.075 1.00 0.00 C ATOM 1726 CG ARG A 107 -6.577 -6.859 -1.734 1.00 0.00 C ATOM 1727 CD ARG A 107 -7.919 -7.344 -2.266 1.00 0.00 C ATOM 1728 NE ARG A 107 -8.125 -8.776 -2.048 1.00 0.00 N ATOM 1729 CZ ARG A 107 -9.077 -9.291 -1.270 1.00 0.00 C ATOM 1730 NH1 ARG A 107 -9.890 -8.495 -0.583 1.00 0.00 N ATOM 1731 NH2 ARG A 107 -9.209 -10.607 -1.187 1.00 0.00 N ATOM 0 H ARG A 107 -2.958 -8.871 -1.521 1.00 0.00 H new ATOM 0 HA ARG A 107 -4.022 -6.471 -2.902 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -5.649 -8.256 -3.056 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -5.465 -8.643 -1.357 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -6.637 -6.738 -0.652 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -6.353 -5.878 -2.152 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -8.721 -6.787 -1.781 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -7.982 -7.130 -3.333 1.00 0.00 H new ATOM 0 HE ARG A 107 -7.497 -9.424 -2.524 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -9.788 -7.482 -0.649 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -10.616 -8.897 0.010 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -8.585 -11.216 -1.716 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -9.935 -11.010 -0.594 1.00 0.00 H new ATOM 1745 N TRP A 108 -3.184 -5.251 -0.963 1.00 0.00 N ATOM 1746 CA TRP A 108 -2.786 -4.382 0.139 1.00 0.00 C ATOM 1747 C TRP A 108 -3.852 -3.303 0.351 1.00 0.00 C ATOM 1748 O TRP A 108 -3.902 -2.310 -0.369 1.00 0.00 O ATOM 1749 CB TRP A 108 -1.411 -3.790 -0.227 1.00 0.00 C ATOM 1750 CG TRP A 108 -0.843 -2.718 0.668 1.00 0.00 C ATOM 1751 CD1 TRP A 108 -1.474 -1.972 1.621 1.00 0.00 C ATOM 1752 CD2 TRP A 108 0.510 -2.262 0.635 1.00 0.00 C ATOM 1753 NE1 TRP A 108 -0.593 -1.070 2.172 1.00 0.00 N ATOM 1754 CE2 TRP A 108 0.634 -1.232 1.583 1.00 0.00 C ATOM 1755 CE3 TRP A 108 1.628 -2.629 -0.116 1.00 0.00 C ATOM 1756 CZ2 TRP A 108 1.841 -0.567 1.801 1.00 0.00 C ATOM 1757 CZ3 TRP A 108 2.820 -1.973 0.100 1.00 0.00 C ATOM 1758 CH2 TRP A 108 2.921 -0.948 1.047 1.00 0.00 C ATOM 0 H TRP A 108 -2.958 -4.872 -1.882 1.00 0.00 H new ATOM 0 HA TRP A 108 -2.702 -4.925 1.080 1.00 0.00 H new ATOM 0 HB2 TRP A 108 -0.693 -4.610 -0.264 1.00 0.00 H new ATOM 0 HB3 TRP A 108 -1.481 -3.382 -1.235 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -2.512 -2.075 1.901 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -0.817 -0.391 2.900 1.00 0.00 H new ATOM 0 HE3 TRP A 108 1.560 -3.414 -0.854 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 1.922 0.219 2.537 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 3.692 -2.255 -0.472 1.00 0.00 H new ATOM 0 HH2 TRP A 108 3.868 -0.447 1.187 1.00 0.00 H new ATOM 1769 N VAL A 109 -4.715 -3.508 1.331 1.00 0.00 N ATOM 1770 CA VAL A 109 -5.837 -2.606 1.553 1.00 0.00 C ATOM 1771 C VAL A 109 -5.590 -1.705 2.754 1.00 0.00 C ATOM 1772 O VAL A 109 -5.673 -2.145 3.896 1.00 0.00 O ATOM 1773 CB VAL A 109 -7.154 -3.383 1.775 1.00 0.00 C ATOM 1774 CG1 VAL A 109 -8.328 -2.422 1.912 1.00 0.00 C ATOM 1775 CG2 VAL A 109 -7.396 -4.363 0.641 1.00 0.00 C ATOM 0 H VAL A 109 -4.663 -4.289 1.985 1.00 0.00 H new ATOM 0 HA VAL A 109 -5.929 -1.996 0.654 1.00 0.00 H new ATOM 0 HB VAL A 109 -7.064 -3.949 2.702 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -9.246 -2.989 2.068 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -8.160 -1.762 2.763 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -8.419 -1.827 1.003 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -8.328 -4.900 0.817 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -7.462 -3.820 -0.302 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -6.571 -5.074 0.593 1.00 0.00 H new ATOM 1785 N THR A 110 -5.286 -0.447 2.503 1.00 0.00 N ATOM 1786 CA THR A 110 -5.128 0.501 3.588 1.00 0.00 C ATOM 1787 C THR A 110 -6.417 1.292 3.772 1.00 0.00 C ATOM 1788 O THR A 110 -6.790 2.110 2.926 1.00 0.00 O ATOM 1789 CB THR A 110 -3.949 1.458 3.346 1.00 0.00 C ATOM 1790 OG1 THR A 110 -2.764 0.703 3.063 1.00 0.00 O ATOM 1791 CG2 THR A 110 -3.707 2.340 4.561 1.00 0.00 C ATOM 0 H THR A 110 -5.145 -0.061 1.570 1.00 0.00 H new ATOM 0 HA THR A 110 -4.910 -0.062 4.495 1.00 0.00 H new ATOM 0 HB THR A 110 -4.194 2.095 2.496 1.00 0.00 H new ATOM 0 HG1 THR A 110 -2.155 1.243 2.517 1.00 0.00 H new ATOM 0 HG21 THR A 110 -2.868 3.008 4.365 1.00 0.00 H new ATOM 0 HG22 THR A 110 -4.600 2.930 4.766 1.00 0.00 H new ATOM 0 HG23 THR A 110 -3.479 1.715 5.425 1.00 0.00 H new ATOM 1799 N ASN A 111 -7.107 1.017 4.866 1.00 0.00 N ATOM 1800 CA ASN A 111 -8.386 1.648 5.144 1.00 0.00 C ATOM 1801 C ASN A 111 -8.194 2.833 6.077 1.00 0.00 C ATOM 1802 O ASN A 111 -8.108 2.672 7.296 1.00 0.00 O ATOM 1803 CB ASN A 111 -9.359 0.628 5.750 1.00 0.00 C ATOM 1804 CG ASN A 111 -10.779 1.155 5.853 1.00 0.00 C ATOM 1805 OD1 ASN A 111 -11.188 2.021 5.088 1.00 0.00 O ATOM 1806 ND2 ASN A 111 -11.551 0.618 6.782 1.00 0.00 N ATOM 0 H ASN A 111 -6.800 0.357 5.580 1.00 0.00 H new ATOM 0 HA ASN A 111 -8.812 2.013 4.210 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -9.356 -0.276 5.141 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -9.009 0.345 6.743 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -12.520 0.922 6.879 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -11.178 -0.101 7.402 1.00 0.00 H new ATOM 1813 N ILE A 112 -8.109 4.023 5.489 1.00 0.00 N ATOM 1814 CA ILE A 112 -7.884 5.252 6.245 1.00 0.00 C ATOM 1815 C ILE A 112 -9.061 5.522 7.177 1.00 0.00 C ATOM 1816 O ILE A 112 -8.906 6.100 8.255 1.00 0.00 O ATOM 1817 CB ILE A 112 -7.675 6.464 5.300 1.00 0.00 C ATOM 1818 CG1 ILE A 112 -6.530 6.189 4.315 1.00 0.00 C ATOM 1819 CG2 ILE A 112 -7.396 7.735 6.098 1.00 0.00 C ATOM 1820 CD1 ILE A 112 -5.193 5.934 4.982 1.00 0.00 C ATOM 0 H ILE A 112 -8.193 4.163 4.482 1.00 0.00 H new ATOM 0 HA ILE A 112 -6.978 5.118 6.836 1.00 0.00 H new ATOM 0 HB ILE A 112 -8.594 6.612 4.732 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -6.790 5.325 3.703 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -6.432 7.040 3.641 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -7.253 8.571 5.413 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -8.240 7.945 6.755 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -6.495 7.598 6.697 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -4.436 5.748 4.220 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -4.908 6.806 5.571 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -5.272 5.065 5.635 1.00 0.00 H new ATOM 1832 N HIS A 113 -10.234 5.058 6.762 1.00 0.00 N ATOM 1833 CA HIS A 113 -11.451 5.196 7.554 1.00 0.00 C ATOM 1834 C HIS A 113 -11.323 4.471 8.899 1.00 0.00 C ATOM 1835 O HIS A 113 -12.038 4.782 9.849 1.00 0.00 O ATOM 1836 CB HIS A 113 -12.645 4.653 6.757 1.00 0.00 C ATOM 1837 CG HIS A 113 -13.969 4.785 7.456 1.00 0.00 C ATOM 1838 ND1 HIS A 113 -14.845 3.733 7.598 1.00 0.00 N ATOM 1839 CD2 HIS A 113 -14.566 5.852 8.040 1.00 0.00 C ATOM 1840 CE1 HIS A 113 -15.925 4.146 8.233 1.00 0.00 C ATOM 1841 NE2 HIS A 113 -15.782 5.425 8.515 1.00 0.00 N ATOM 0 H HIS A 113 -10.368 4.578 5.872 1.00 0.00 H new ATOM 0 HA HIS A 113 -11.612 6.253 7.766 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -12.698 5.177 5.803 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -12.469 3.601 6.534 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -14.162 6.850 8.117 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -16.783 3.538 8.480 1.00 0.00 H new ATOM 0 HE2 HIS A 113 -16.463 6.004 9.006 1.00 0.00 H new ATOM 1850 N GLU A 114 -10.412 3.506 8.976 1.00 0.00 N ATOM 1851 CA GLU A 114 -10.174 2.779 10.220 1.00 0.00 C ATOM 1852 C GLU A 114 -8.765 3.006 10.748 1.00 0.00 C ATOM 1853 O GLU A 114 -8.448 2.579 11.859 1.00 0.00 O ATOM 1854 CB GLU A 114 -10.373 1.278 10.028 1.00 0.00 C ATOM 1855 CG GLU A 114 -11.820 0.838 9.962 1.00 0.00 C ATOM 1856 CD GLU A 114 -11.939 -0.668 10.008 1.00 0.00 C ATOM 1857 OE1 GLU A 114 -11.958 -1.225 11.126 1.00 0.00 O ATOM 1858 OE2 GLU A 114 -11.987 -1.302 8.934 1.00 0.00 O ATOM 0 H GLU A 114 -9.827 3.209 8.195 1.00 0.00 H new ATOM 0 HA GLU A 114 -10.896 3.163 10.940 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -9.872 0.973 9.109 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -9.884 0.752 10.848 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -12.373 1.274 10.794 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -12.275 1.213 9.045 1.00 0.00 H new ATOM 1865 N GLN A 115 -7.925 3.660 9.945 1.00 0.00 N ATOM 1866 CA GLN A 115 -6.508 3.814 10.271 1.00 0.00 C ATOM 1867 C GLN A 115 -5.847 2.437 10.376 1.00 0.00 C ATOM 1868 O GLN A 115 -4.922 2.226 11.167 1.00 0.00 O ATOM 1869 CB GLN A 115 -6.337 4.601 11.578 1.00 0.00 C ATOM 1870 CG GLN A 115 -6.781 6.053 11.480 1.00 0.00 C ATOM 1871 CD GLN A 115 -5.843 6.898 10.634 1.00 0.00 C ATOM 1872 OE1 GLN A 115 -4.641 6.659 10.592 1.00 0.00 O ATOM 1873 NE2 GLN A 115 -6.389 7.889 9.953 1.00 0.00 N ATOM 0 H GLN A 115 -8.202 4.092 9.063 1.00 0.00 H new ATOM 0 HA GLN A 115 -6.021 4.376 9.474 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -6.907 4.108 12.366 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -5.289 4.570 11.876 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -7.784 6.094 11.054 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -6.842 6.478 12.482 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -7.393 8.057 10.013 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -5.806 8.487 9.367 1.00 0.00 H new ATOM 1882 N LYS A 116 -6.321 1.505 9.556 1.00 0.00 N ATOM 1883 CA LYS A 116 -5.812 0.139 9.562 1.00 0.00 C ATOM 1884 C LYS A 116 -5.250 -0.230 8.194 1.00 0.00 C ATOM 1885 O LYS A 116 -5.703 0.278 7.169 1.00 0.00 O ATOM 1886 CB LYS A 116 -6.911 -0.864 9.941 1.00 0.00 C ATOM 1887 CG LYS A 116 -7.496 -0.667 11.329 1.00 0.00 C ATOM 1888 CD LYS A 116 -8.431 -1.814 11.692 1.00 0.00 C ATOM 1889 CE LYS A 116 -9.087 -1.617 13.051 1.00 0.00 C ATOM 1890 NZ LYS A 116 -10.070 -0.501 13.041 1.00 0.00 N ATOM 0 H LYS A 116 -7.062 1.673 8.875 1.00 0.00 H new ATOM 0 HA LYS A 116 -5.019 0.091 10.308 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -7.716 -0.795 9.209 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -6.503 -1.873 9.873 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -6.691 -0.603 12.061 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -8.039 0.277 11.369 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -9.203 -1.906 10.928 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -7.871 -2.749 11.693 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -9.588 -2.538 13.348 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -8.319 -1.417 13.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -10.647 -0.539 13.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -9.564 0.407 13.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -10.687 -0.589 12.208 1.00 0.00 H new ATOM 1904 N ARG A 117 -4.268 -1.114 8.187 1.00 0.00 N ATOM 1905 CA ARG A 117 -3.662 -1.576 6.951 1.00 0.00 C ATOM 1906 C ARG A 117 -3.807 -3.093 6.838 1.00 0.00 C ATOM 1907 O ARG A 117 -3.169 -3.848 7.572 1.00 0.00 O ATOM 1908 CB ARG A 117 -2.188 -1.165 6.908 1.00 0.00 C ATOM 1909 CG ARG A 117 -1.522 -1.406 5.567 1.00 0.00 C ATOM 1910 CD ARG A 117 -0.058 -1.007 5.600 1.00 0.00 C ATOM 1911 NE ARG A 117 0.131 0.416 5.882 1.00 0.00 N ATOM 1912 CZ ARG A 117 1.214 0.912 6.485 1.00 0.00 C ATOM 1913 NH1 ARG A 117 2.174 0.097 6.913 1.00 0.00 N ATOM 1914 NH2 ARG A 117 1.334 2.224 6.672 1.00 0.00 N ATOM 0 H ARG A 117 -3.871 -1.529 9.030 1.00 0.00 H new ATOM 0 HA ARG A 117 -4.172 -1.117 6.104 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -2.109 -0.107 7.157 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -1.645 -1.715 7.676 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -1.608 -2.459 5.299 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -2.039 -0.837 4.794 1.00 0.00 H new ATOM 0 HD2 ARG A 117 0.458 -1.596 6.358 1.00 0.00 H new ATOM 0 HD3 ARG A 117 0.402 -1.248 4.642 1.00 0.00 H new ATOM 0 HE ARG A 117 -0.605 1.065 5.603 1.00 0.00 H new ATOM 0 HH11 ARG A 117 2.084 -0.910 6.781 1.00 0.00 H new ATOM 0 HH12 ARG A 117 3.000 0.479 7.373 1.00 0.00 H new ATOM 0 HH21 ARG A 117 0.597 2.854 6.354 1.00 0.00 H new ATOM 0 HH22 ARG A 117 2.163 2.600 7.133 1.00 0.00 H new ATOM 1928 N TYR A 118 -4.668 -3.522 5.929 1.00 0.00 N ATOM 1929 CA TYR A 118 -4.986 -4.934 5.760 1.00 0.00 C ATOM 1930 C TYR A 118 -4.122 -5.564 4.676 1.00 0.00 C ATOM 1931 O TYR A 118 -3.961 -5.005 3.589 1.00 0.00 O ATOM 1932 CB TYR A 118 -6.463 -5.101 5.391 1.00 0.00 C ATOM 1933 CG TYR A 118 -7.432 -4.614 6.449 1.00 0.00 C ATOM 1934 CD1 TYR A 118 -7.784 -3.272 6.540 1.00 0.00 C ATOM 1935 CD2 TYR A 118 -7.997 -5.501 7.357 1.00 0.00 C ATOM 1936 CE1 TYR A 118 -8.672 -2.828 7.504 1.00 0.00 C ATOM 1937 CE2 TYR A 118 -8.884 -5.067 8.321 1.00 0.00 C ATOM 1938 CZ TYR A 118 -9.217 -3.731 8.394 1.00 0.00 C ATOM 1939 OH TYR A 118 -10.097 -3.299 9.362 1.00 0.00 O ATOM 0 H TYR A 118 -5.166 -2.904 5.288 1.00 0.00 H new ATOM 0 HA TYR A 118 -4.784 -5.438 6.705 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -6.656 -4.562 4.463 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -6.659 -6.155 5.194 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -7.357 -2.563 5.846 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -7.738 -6.548 7.308 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -8.937 -1.782 7.559 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -9.316 -5.772 9.016 1.00 0.00 H new ATOM 0 HH TYR A 118 -10.720 -2.650 8.972 1.00 0.00 H new ATOM 1949 N TYR A 119 -3.567 -6.730 4.972 1.00 0.00 N ATOM 1950 CA TYR A 119 -2.769 -7.466 4.002 1.00 0.00 C ATOM 1951 C TYR A 119 -3.485 -8.742 3.582 1.00 0.00 C ATOM 1952 O TYR A 119 -3.675 -9.653 4.392 1.00 0.00 O ATOM 1953 CB TYR A 119 -1.398 -7.813 4.580 1.00 0.00 C ATOM 1954 CG TYR A 119 -0.560 -6.609 4.932 1.00 0.00 C ATOM 1955 CD1 TYR A 119 0.284 -6.030 3.995 1.00 0.00 C ATOM 1956 CD2 TYR A 119 -0.608 -6.055 6.205 1.00 0.00 C ATOM 1957 CE1 TYR A 119 1.058 -4.933 4.316 1.00 0.00 C ATOM 1958 CE2 TYR A 119 0.161 -4.959 6.533 1.00 0.00 C ATOM 1959 CZ TYR A 119 0.993 -4.403 5.584 1.00 0.00 C ATOM 1960 OH TYR A 119 1.766 -3.312 5.903 1.00 0.00 O ATOM 0 H TYR A 119 -3.655 -7.188 5.879 1.00 0.00 H new ATOM 0 HA TYR A 119 -2.631 -6.829 3.128 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -1.535 -8.422 5.474 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -0.854 -8.423 3.859 1.00 0.00 H new ATOM 0 HD1 TYR A 119 0.336 -6.444 2.999 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -1.258 -6.490 6.950 1.00 0.00 H new ATOM 0 HE1 TYR A 119 1.711 -4.493 3.576 1.00 0.00 H new ATOM 0 HE2 TYR A 119 0.112 -4.538 7.527 1.00 0.00 H new ATOM 0 HH TYR A 119 1.936 -3.303 6.868 1.00 0.00 H new ATOM 1970 N TYR A 120 -3.883 -8.795 2.319 1.00 0.00 N ATOM 1971 CA TYR A 120 -4.571 -9.957 1.776 1.00 0.00 C ATOM 1972 C TYR A 120 -3.721 -10.659 0.725 1.00 0.00 C ATOM 1973 O TYR A 120 -3.045 -10.013 -0.082 1.00 0.00 O ATOM 1974 CB TYR A 120 -5.901 -9.551 1.134 1.00 0.00 C ATOM 1975 CG TYR A 120 -6.982 -9.157 2.113 1.00 0.00 C ATOM 1976 CD1 TYR A 120 -7.075 -7.858 2.593 1.00 0.00 C ATOM 1977 CD2 TYR A 120 -7.920 -10.085 2.545 1.00 0.00 C ATOM 1978 CE1 TYR A 120 -8.069 -7.495 3.480 1.00 0.00 C ATOM 1979 CE2 TYR A 120 -8.919 -9.730 3.429 1.00 0.00 C ATOM 1980 CZ TYR A 120 -8.988 -8.435 3.893 1.00 0.00 C ATOM 1981 OH TYR A 120 -9.982 -8.079 4.774 1.00 0.00 O ATOM 0 H TYR A 120 -3.740 -8.041 1.647 1.00 0.00 H new ATOM 0 HA TYR A 120 -4.754 -10.638 2.607 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -5.722 -8.716 0.457 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -6.264 -10.381 0.528 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -6.358 -7.119 2.267 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -7.867 -11.101 2.183 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -8.126 -6.481 3.848 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -9.642 -10.463 3.755 1.00 0.00 H new ATOM 0 HH TYR A 120 -10.546 -8.858 4.962 1.00 0.00 H new ATOM 1991 N THR A 121 -3.761 -11.979 0.735 1.00 0.00 N ATOM 1992 CA THR A 121 -3.161 -12.762 -0.333 1.00 0.00 C ATOM 1993 C THR A 121 -4.157 -12.869 -1.490 1.00 0.00 C ATOM 1994 O THR A 121 -5.334 -12.537 -1.326 1.00 0.00 O ATOM 1995 CB THR A 121 -2.753 -14.175 0.156 1.00 0.00 C ATOM 1996 OG1 THR A 121 -2.130 -14.911 -0.902 1.00 0.00 O ATOM 1997 CG2 THR A 121 -3.958 -14.946 0.670 1.00 0.00 C ATOM 0 H THR A 121 -4.202 -12.532 1.470 1.00 0.00 H new ATOM 0 HA THR A 121 -2.253 -12.259 -0.667 1.00 0.00 H new ATOM 0 HB THR A 121 -2.044 -14.050 0.974 1.00 0.00 H new ATOM 0 HG1 THR A 121 -1.302 -14.460 -1.171 1.00 0.00 H new ATOM 0 HG21 THR A 121 -3.642 -15.933 1.006 1.00 0.00 H new ATOM 0 HG22 THR A 121 -4.407 -14.406 1.503 1.00 0.00 H new ATOM 0 HG23 THR A 121 -4.690 -15.053 -0.130 1.00 0.00 H new ATOM 2005 N PHE A 122 -3.695 -13.327 -2.649 1.00 0.00 N ATOM 2006 CA PHE A 122 -4.551 -13.438 -3.830 1.00 0.00 C ATOM 2007 C PHE A 122 -5.630 -14.500 -3.624 1.00 0.00 C ATOM 2008 O PHE A 122 -6.667 -14.485 -4.283 1.00 0.00 O ATOM 2009 CB PHE A 122 -3.715 -13.761 -5.077 1.00 0.00 C ATOM 2010 CG PHE A 122 -2.954 -15.057 -4.990 1.00 0.00 C ATOM 2011 CD1 PHE A 122 -1.711 -15.109 -4.379 1.00 0.00 C ATOM 2012 CD2 PHE A 122 -3.483 -16.222 -5.524 1.00 0.00 C ATOM 2013 CE1 PHE A 122 -1.012 -16.297 -4.301 1.00 0.00 C ATOM 2014 CE2 PHE A 122 -2.788 -17.413 -5.449 1.00 0.00 C ATOM 2015 CZ PHE A 122 -1.552 -17.450 -4.836 1.00 0.00 C ATOM 0 H PHE A 122 -2.732 -13.628 -2.798 1.00 0.00 H new ATOM 0 HA PHE A 122 -5.042 -12.476 -3.981 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -4.375 -13.797 -5.944 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -3.009 -12.949 -5.248 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -1.284 -14.210 -3.959 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -4.450 -16.198 -6.004 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -0.044 -16.325 -3.822 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -3.211 -18.314 -5.869 1.00 0.00 H new ATOM 0 HZ PHE A 122 -1.007 -18.380 -4.775 1.00 0.00 H new ATOM 2025 N ASP A 123 -5.381 -15.401 -2.682 1.00 0.00 N ATOM 2026 CA ASP A 123 -6.316 -16.477 -2.356 1.00 0.00 C ATOM 2027 C ASP A 123 -7.477 -15.946 -1.507 1.00 0.00 C ATOM 2028 O ASP A 123 -8.388 -16.686 -1.133 1.00 0.00 O ATOM 2029 CB ASP A 123 -5.560 -17.594 -1.619 1.00 0.00 C ATOM 2030 CG ASP A 123 -6.440 -18.759 -1.214 1.00 0.00 C ATOM 2031 OD1 ASP A 123 -6.951 -19.471 -2.103 1.00 0.00 O ATOM 2032 OD2 ASP A 123 -6.622 -18.975 0.002 1.00 0.00 O ATOM 0 H ASP A 123 -4.528 -15.409 -2.122 1.00 0.00 H new ATOM 0 HA ASP A 123 -6.740 -16.880 -3.275 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -4.758 -17.961 -2.259 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -5.091 -17.177 -0.728 1.00 0.00 H new ATOM 2037 N ASN A 124 -7.439 -14.643 -1.239 1.00 0.00 N ATOM 2038 CA ASN A 124 -8.431 -13.970 -0.403 1.00 0.00 C ATOM 2039 C ASN A 124 -8.375 -14.499 1.022 1.00 0.00 C ATOM 2040 O ASN A 124 -9.160 -15.359 1.426 1.00 0.00 O ATOM 2041 CB ASN A 124 -9.851 -14.101 -0.969 1.00 0.00 C ATOM 2042 CG ASN A 124 -10.868 -13.319 -0.155 1.00 0.00 C ATOM 2043 OD1 ASN A 124 -10.538 -12.299 0.457 1.00 0.00 O ATOM 2044 ND2 ASN A 124 -12.108 -13.776 -0.145 1.00 0.00 N ATOM 0 H ASN A 124 -6.715 -14.020 -1.598 1.00 0.00 H new ATOM 0 HA ASN A 124 -8.182 -12.909 -0.398 1.00 0.00 H new ATOM 0 HB2 ASN A 124 -9.863 -13.747 -2.000 1.00 0.00 H new ATOM 0 HB3 ASN A 124 -10.136 -15.153 -0.990 1.00 0.00 H new ATOM 0 HD21 ASN A 124 -12.829 -13.282 0.381 1.00 0.00 H new ATOM 0 HD22 ASN A 124 -12.344 -14.623 -0.663 1.00 0.00 H new ATOM 2051 N SER A 125 -7.400 -14.011 1.763 1.00 0.00 N ATOM 2052 CA SER A 125 -7.231 -14.366 3.158 1.00 0.00 C ATOM 2053 C SER A 125 -6.539 -13.224 3.882 1.00 0.00 C ATOM 2054 O SER A 125 -5.555 -12.675 3.381 1.00 0.00 O ATOM 2055 CB SER A 125 -6.405 -15.654 3.295 1.00 0.00 C ATOM 2056 OG SER A 125 -7.016 -16.736 2.612 1.00 0.00 O ATOM 0 H SER A 125 -6.701 -13.355 1.414 1.00 0.00 H new ATOM 0 HA SER A 125 -8.211 -14.543 3.601 1.00 0.00 H new ATOM 0 HB2 SER A 125 -5.404 -15.490 2.897 1.00 0.00 H new ATOM 0 HB3 SER A 125 -6.292 -15.905 4.350 1.00 0.00 H new ATOM 0 HG SER A 125 -7.881 -16.449 2.252 1.00 0.00 H new ATOM 2062 N LEU A 126 -7.069 -12.845 5.035 1.00 0.00 N ATOM 2063 CA LEU A 126 -6.469 -11.786 5.825 1.00 0.00 C ATOM 2064 C LEU A 126 -5.203 -12.297 6.495 1.00 0.00 C ATOM 2065 O LEU A 126 -5.259 -13.052 7.469 1.00 0.00 O ATOM 2066 CB LEU A 126 -7.456 -11.263 6.871 1.00 0.00 C ATOM 2067 CG LEU A 126 -6.964 -10.060 7.678 1.00 0.00 C ATOM 2068 CD1 LEU A 126 -6.640 -8.896 6.755 1.00 0.00 C ATOM 2069 CD2 LEU A 126 -8.001 -9.650 8.714 1.00 0.00 C ATOM 0 H LEU A 126 -7.910 -13.254 5.441 1.00 0.00 H new ATOM 0 HA LEU A 126 -6.211 -10.959 5.163 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -8.384 -10.990 6.369 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -7.694 -12.072 7.561 1.00 0.00 H new ATOM 0 HG LEU A 126 -6.052 -10.347 8.202 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -6.292 -8.049 7.346 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -5.861 -9.194 6.053 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -7.535 -8.609 6.203 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -7.633 -8.793 9.278 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -8.931 -9.382 8.212 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -8.183 -10.481 9.395 1.00 0.00 H new ATOM 2081 N LEU A 127 -4.065 -11.901 5.951 1.00 0.00 N ATOM 2082 CA LEU A 127 -2.782 -12.363 6.445 1.00 0.00 C ATOM 2083 C LEU A 127 -2.376 -11.584 7.686 1.00 0.00 C ATOM 2084 O LEU A 127 -2.072 -12.164 8.727 1.00 0.00 O ATOM 2085 CB LEU A 127 -1.708 -12.220 5.362 1.00 0.00 C ATOM 2086 CG LEU A 127 -1.997 -12.948 4.048 1.00 0.00 C ATOM 2087 CD1 LEU A 127 -0.860 -12.729 3.060 1.00 0.00 C ATOM 2088 CD2 LEU A 127 -2.215 -14.435 4.298 1.00 0.00 C ATOM 0 H LEU A 127 -4.005 -11.257 5.162 1.00 0.00 H new ATOM 0 HA LEU A 127 -2.877 -13.416 6.709 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -1.572 -11.160 5.148 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -0.763 -12.588 5.761 1.00 0.00 H new ATOM 0 HG LEU A 127 -2.910 -12.538 3.617 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -1.080 -13.253 2.130 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -0.753 -11.663 2.859 1.00 0.00 H new ATOM 0 HD13 LEU A 127 0.068 -13.114 3.482 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -2.419 -14.937 3.352 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -1.320 -14.863 4.750 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -3.062 -14.571 4.971 1.00 0.00 H new ATOM 2100 N PHE A 128 -2.395 -10.264 7.577 1.00 0.00 N ATOM 2101 CA PHE A 128 -1.970 -9.410 8.675 1.00 0.00 C ATOM 2102 C PHE A 128 -2.706 -8.077 8.611 1.00 0.00 C ATOM 2103 O PHE A 128 -3.224 -7.697 7.559 1.00 0.00 O ATOM 2104 CB PHE A 128 -0.450 -9.194 8.607 1.00 0.00 C ATOM 2105 CG PHE A 128 0.150 -8.591 9.848 1.00 0.00 C ATOM 2106 CD1 PHE A 128 0.331 -9.361 10.984 1.00 0.00 C ATOM 2107 CD2 PHE A 128 0.539 -7.259 9.876 1.00 0.00 C ATOM 2108 CE1 PHE A 128 0.885 -8.818 12.126 1.00 0.00 C ATOM 2109 CE2 PHE A 128 1.094 -6.709 11.016 1.00 0.00 C ATOM 2110 CZ PHE A 128 1.267 -7.489 12.142 1.00 0.00 C ATOM 0 H PHE A 128 -2.699 -9.763 6.742 1.00 0.00 H new ATOM 0 HA PHE A 128 -2.211 -9.892 9.622 1.00 0.00 H new ATOM 0 HB2 PHE A 128 0.032 -10.152 8.414 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -0.225 -8.547 7.759 1.00 0.00 H new ATOM 0 HD1 PHE A 128 0.035 -10.400 10.977 1.00 0.00 H new ATOM 0 HD2 PHE A 128 0.407 -6.645 8.997 1.00 0.00 H new ATOM 0 HE1 PHE A 128 1.020 -9.430 13.005 1.00 0.00 H new ATOM 0 HE2 PHE A 128 1.392 -5.671 11.026 1.00 0.00 H new ATOM 0 HZ PHE A 128 1.700 -7.062 13.034 1.00 0.00 H new ATOM 2120 N THR A 129 -2.778 -7.389 9.739 1.00 0.00 N ATOM 2121 CA THR A 129 -3.398 -6.078 9.796 1.00 0.00 C ATOM 2122 C THR A 129 -2.742 -5.232 10.878 1.00 0.00 C ATOM 2123 O THR A 129 -2.863 -5.528 12.067 1.00 0.00 O ATOM 2124 CB THR A 129 -4.910 -6.177 10.081 1.00 0.00 C ATOM 2125 OG1 THR A 129 -5.538 -7.002 9.097 1.00 0.00 O ATOM 2126 CG2 THR A 129 -5.556 -4.799 10.078 1.00 0.00 C ATOM 0 H THR A 129 -2.412 -7.720 10.632 1.00 0.00 H new ATOM 0 HA THR A 129 -3.259 -5.610 8.822 1.00 0.00 H new ATOM 0 HB THR A 129 -5.042 -6.620 11.068 1.00 0.00 H new ATOM 0 HG1 THR A 129 -6.239 -6.491 8.641 1.00 0.00 H new ATOM 0 HG21 THR A 129 -6.622 -4.897 10.281 1.00 0.00 H new ATOM 0 HG22 THR A 129 -5.095 -4.179 10.847 1.00 0.00 H new ATOM 0 HG23 THR A 129 -5.414 -4.333 9.103 1.00 0.00 H new ATOM 2134 N GLU A 130 -2.028 -4.199 10.466 1.00 0.00 N ATOM 2135 CA GLU A 130 -1.431 -3.272 11.411 1.00 0.00 C ATOM 2136 C GLU A 130 -2.233 -1.980 11.418 1.00 0.00 C ATOM 2137 O GLU A 130 -2.952 -1.687 10.461 1.00 0.00 O ATOM 2138 CB GLU A 130 0.035 -2.997 11.059 1.00 0.00 C ATOM 2139 CG GLU A 130 0.234 -2.242 9.755 1.00 0.00 C ATOM 2140 CD GLU A 130 1.697 -2.061 9.403 1.00 0.00 C ATOM 2141 OE1 GLU A 130 2.401 -1.305 10.116 1.00 0.00 O ATOM 2142 OE2 GLU A 130 2.145 -2.664 8.406 1.00 0.00 O ATOM 0 H GLU A 130 -1.848 -3.981 9.486 1.00 0.00 H new ATOM 0 HA GLU A 130 -1.452 -3.716 12.406 1.00 0.00 H new ATOM 0 HB2 GLU A 130 0.490 -2.426 11.869 1.00 0.00 H new ATOM 0 HB3 GLU A 130 0.567 -3.947 11.000 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -0.266 -2.779 8.949 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -0.242 -1.264 9.830 1.00 0.00 H new ATOM 2149 N SER A 131 -2.135 -1.216 12.485 1.00 0.00 N ATOM 2150 CA SER A 131 -2.870 0.027 12.571 1.00 0.00 C ATOM 2151 C SER A 131 -1.904 1.190 12.719 1.00 0.00 C ATOM 2152 O SER A 131 -0.976 1.142 13.528 1.00 0.00 O ATOM 2153 CB SER A 131 -3.856 -0.009 13.743 1.00 0.00 C ATOM 2154 OG SER A 131 -4.791 1.061 13.669 1.00 0.00 O ATOM 0 H SER A 131 -1.559 -1.431 13.299 1.00 0.00 H new ATOM 0 HA SER A 131 -3.442 0.161 11.653 1.00 0.00 H new ATOM 0 HB2 SER A 131 -4.389 -0.960 13.743 1.00 0.00 H new ATOM 0 HB3 SER A 131 -3.308 0.049 14.683 1.00 0.00 H new ATOM 0 HG SER A 131 -4.780 1.443 12.767 1.00 0.00 H new ATOM 2160 N ILE A 132 -2.116 2.224 11.920 1.00 0.00 N ATOM 2161 CA ILE A 132 -1.310 3.433 12.005 1.00 0.00 C ATOM 2162 C ILE A 132 -1.854 4.348 13.096 1.00 0.00 C ATOM 2163 O ILE A 132 -1.321 5.426 13.357 1.00 0.00 O ATOM 2164 CB ILE A 132 -1.250 4.173 10.651 1.00 0.00 C ATOM 2165 CG1 ILE A 132 -2.633 4.223 9.995 1.00 0.00 C ATOM 2166 CG2 ILE A 132 -0.248 3.489 9.733 1.00 0.00 C ATOM 2167 CD1 ILE A 132 -2.655 4.964 8.673 1.00 0.00 C ATOM 0 H ILE A 132 -2.841 2.251 11.203 1.00 0.00 H new ATOM 0 HA ILE A 132 -0.291 3.142 12.261 1.00 0.00 H new ATOM 0 HB ILE A 132 -0.926 5.198 10.828 1.00 0.00 H new ATOM 0 HG12 ILE A 132 -2.987 3.204 9.836 1.00 0.00 H new ATOM 0 HG13 ILE A 132 -3.333 4.700 10.680 1.00 0.00 H new ATOM 0 HG21 ILE A 132 -0.210 4.015 8.779 1.00 0.00 H new ATOM 0 HG22 ILE A 132 0.739 3.504 10.196 1.00 0.00 H new ATOM 0 HG23 ILE A 132 -0.554 2.456 9.565 1.00 0.00 H new ATOM 0 HD11 ILE A 132 -3.667 4.958 8.269 1.00 0.00 H new ATOM 0 HD12 ILE A 132 -2.333 5.994 8.828 1.00 0.00 H new ATOM 0 HD13 ILE A 132 -1.981 4.474 7.970 1.00 0.00 H new ATOM 2179 N GLN A 133 -2.924 3.889 13.731 1.00 0.00 N ATOM 2180 CA GLN A 133 -3.459 4.530 14.915 1.00 0.00 C ATOM 2181 C GLN A 133 -2.989 3.728 16.122 1.00 0.00 C ATOM 2182 O GLN A 133 -3.382 2.574 16.295 1.00 0.00 O ATOM 2183 CB GLN A 133 -4.993 4.570 14.847 1.00 0.00 C ATOM 2184 CG GLN A 133 -5.635 5.718 15.620 1.00 0.00 C ATOM 2185 CD GLN A 133 -5.595 5.546 17.128 1.00 0.00 C ATOM 2186 OE1 GLN A 133 -5.633 4.432 17.643 1.00 0.00 O ATOM 2187 NE2 GLN A 133 -5.536 6.658 17.843 1.00 0.00 N ATOM 0 H GLN A 133 -3.442 3.061 13.436 1.00 0.00 H new ATOM 0 HA GLN A 133 -3.109 5.559 14.991 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -5.295 4.640 13.802 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -5.385 3.628 15.230 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -5.129 6.647 15.357 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -6.673 5.820 15.304 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -5.506 7.564 17.375 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -5.521 6.609 18.862 1.00 0.00 H new