USER MOD reduce.3.24.130724 H: found=0, std=0, add=915, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 914 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: B 163 SER OG : rot -124:sc= 1.04 USER MOD Set 1.2: B 165 THR OG1 : rot 180:sc= 0.928 USER MOD Set 2.1: A 120 HIS : no HD1:sc= 1.04 K(o=3,f=-8.4!) USER MOD Set 2.2: A 123 LYS NZ :NH3+ -178:sc= 1.91 (180deg=0.663) USER MOD Set 3.1: A 118 GLN : amide:sc= 1.01 K(o=2.3,f=-7!) USER MOD Set 3.2: A 121 LYS NZ :NH3+ -119:sc= 1.24 (180deg=0) USER MOD Set 4.1: A 71 SER OG : rot 50:sc= -0.896 USER MOD Set 4.2: B 162 TYR OH : rot 8:sc= 1.38 USER MOD Set 5.1: A 53 TYR OH : rot 180:sc= 0 USER MOD Set 5.2: A 61 HIS : no HD1:sc= -1.88 K(o=-1.9,f=-6.4!) USER MOD Set 6.1: A 44 SER OG : rot 180:sc= 0 USER MOD Set 6.2: A 45 LYS NZ :NH3+ 169:sc= 0.912 (180deg=0.824) USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 9 ASN : amide:sc= 0.608 K(o=0.61,f=-1.1) USER MOD Single : A 13 THR OG1 : rot 73:sc= 1.28 USER MOD Single : A 16 SER OG : rot 80:sc= 0.359 USER MOD Single : A 18 LYS NZ :NH3+ 140:sc= 0.87 (180deg=0.0199) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 150:sc= 0.154 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot -87:sc= 1.28 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= -0.27 X(o=-0.27,f=-0.26) USER MOD Single : A 48 SER OG : rot -92:sc= 0.382 USER MOD Single : A 54 SER OG : rot 160:sc= 0 USER MOD Single : A 57 CYS SG : rot 104:sc= 0.106 USER MOD Single : A 60 SER OG : rot 180:sc= 0.00276 USER MOD Single : A 62 LYS NZ :NH3+ 167:sc= -0.024 (180deg=-0.201) USER MOD Single : A 65 SER OG : rot 70:sc= -0.359 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot -150:sc= 0 USER MOD Single : A 93 THR OG1 : rot 0:sc= 0.783 USER MOD Single : A 94 CYS SG : rot 180:sc= -0.331 USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 99 ASN : amide:sc=-0.00321 K(o=-0.0032,f=-1.2) USER MOD Single : A 100 THR OG1 : rot 70:sc= 1.25 USER MOD Single : A 106 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 110 SER OG : rot -77:sc= 1.23 USER MOD Single : A 115 LYS NZ :NH3+ -152:sc= 1.07 (180deg=-0.203) USER MOD Single : A 116 SER OG : rot 104:sc= 0.25 USER MOD Single : A 117 ASN : amide:sc= -0.0482 K(o=-0.048,f=-4.5!) USER MOD Single : A 126 MET CE :methyl 166:sc= -0.0259 (180deg=-0.32) USER MOD Single : B 161 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 78 N ASP A 6 -1.753 -6.048 20.193 1.00 0.00 N ATOM 79 CA ASP A 6 -2.114 -4.734 19.684 1.00 0.00 C ATOM 80 C ASP A 6 -1.371 -4.503 18.368 1.00 0.00 C ATOM 81 O ASP A 6 -1.586 -5.241 17.407 1.00 0.00 O ATOM 82 CB ASP A 6 -1.820 -3.680 20.754 1.00 0.00 C ATOM 83 CG ASP A 6 -2.319 -2.299 20.340 1.00 0.00 C ATOM 84 OD1 ASP A 6 -3.554 -2.138 20.235 1.00 0.00 O ATOM 85 OD2 ASP A 6 -1.461 -1.415 20.133 1.00 0.00 O ATOM 0 HA ASP A 6 -3.180 -4.661 19.467 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -2.293 -3.972 21.691 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -0.747 -3.639 20.938 1.00 0.00 H new ATOM 90 N PHE A 7 -0.499 -3.490 18.308 1.00 0.00 N ATOM 91 CA PHE A 7 0.344 -3.249 17.146 1.00 0.00 C ATOM 92 C PHE A 7 1.191 -4.486 16.833 1.00 0.00 C ATOM 93 O PHE A 7 1.725 -4.611 15.730 1.00 0.00 O ATOM 94 CB PHE A 7 1.232 -2.038 17.427 1.00 0.00 C ATOM 95 CG PHE A 7 2.036 -1.561 16.237 1.00 0.00 C ATOM 96 CD1 PHE A 7 1.415 -1.353 14.998 1.00 0.00 C ATOM 97 CD2 PHE A 7 3.413 -1.324 16.374 1.00 0.00 C ATOM 98 CE1 PHE A 7 2.162 -0.912 13.897 1.00 0.00 C ATOM 99 CE2 PHE A 7 4.160 -0.876 15.274 1.00 0.00 C ATOM 100 CZ PHE A 7 3.535 -0.670 14.038 1.00 0.00 C ATOM 0 H PHE A 7 -0.363 -2.820 19.065 1.00 0.00 H new ATOM 0 HA PHE A 7 -0.278 -3.047 16.274 1.00 0.00 H new ATOM 0 HB2 PHE A 7 0.606 -1.218 17.779 1.00 0.00 H new ATOM 0 HB3 PHE A 7 1.918 -2.286 18.237 1.00 0.00 H new ATOM 0 HD1 PHE A 7 0.356 -1.533 14.891 1.00 0.00 H new ATOM 0 HD2 PHE A 7 3.897 -1.486 17.326 1.00 0.00 H new ATOM 0 HE1 PHE A 7 1.681 -0.759 12.942 1.00 0.00 H new ATOM 0 HE2 PHE A 7 5.218 -0.690 15.381 1.00 0.00 H new ATOM 0 HZ PHE A 7 4.112 -0.324 13.193 1.00 0.00 H new ATOM 110 N GLN A 8 1.315 -5.403 17.799 1.00 0.00 N ATOM 111 CA GLN A 8 2.024 -6.657 17.616 1.00 0.00 C ATOM 112 C GLN A 8 1.452 -7.420 16.427 1.00 0.00 C ATOM 113 O GLN A 8 2.215 -7.965 15.638 1.00 0.00 O ATOM 114 CB GLN A 8 1.896 -7.490 18.892 1.00 0.00 C ATOM 115 CG GLN A 8 2.559 -8.858 18.712 1.00 0.00 C ATOM 116 CD GLN A 8 2.442 -9.726 19.961 1.00 0.00 C ATOM 117 OE1 GLN A 8 1.783 -9.360 20.931 1.00 0.00 O ATOM 118 NE2 GLN A 8 3.086 -10.890 19.945 1.00 0.00 N ATOM 0 H GLN A 8 0.921 -5.287 18.733 1.00 0.00 H new ATOM 0 HA GLN A 8 3.076 -6.455 17.416 1.00 0.00 H new ATOM 0 HB2 GLN A 8 2.360 -6.962 19.725 1.00 0.00 H new ATOM 0 HB3 GLN A 8 0.843 -7.620 19.143 1.00 0.00 H new ATOM 0 HG2 GLN A 8 2.099 -9.374 17.869 1.00 0.00 H new ATOM 0 HG3 GLN A 8 3.612 -8.720 18.466 1.00 0.00 H new ATOM 0 HE21 GLN A 8 3.624 -11.164 19.123 1.00 0.00 H new ATOM 0 HE22 GLN A 8 3.041 -11.509 20.755 1.00 0.00 H new ATOM 127 N ASN A 9 0.123 -7.466 16.284 1.00 0.00 N ATOM 128 CA ASN A 9 -0.496 -8.146 15.152 1.00 0.00 C ATOM 129 C ASN A 9 0.022 -7.574 13.837 1.00 0.00 C ATOM 130 O ASN A 9 0.320 -8.330 12.915 1.00 0.00 O ATOM 131 CB ASN A 9 -2.017 -7.989 15.226 1.00 0.00 C ATOM 132 CG ASN A 9 -2.593 -8.586 16.504 1.00 0.00 C ATOM 133 OD1 ASN A 9 -1.934 -9.351 17.203 1.00 0.00 O ATOM 134 ND2 ASN A 9 -3.835 -8.237 16.822 1.00 0.00 N ATOM 0 H ASN A 9 -0.537 -7.042 16.936 1.00 0.00 H new ATOM 0 HA ASN A 9 -0.239 -9.204 15.195 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -2.275 -6.931 15.172 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -2.473 -8.473 14.362 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -4.268 -8.607 17.668 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -4.356 -7.599 16.220 1.00 0.00 H new ATOM 141 N PHE A 10 0.130 -6.246 13.742 1.00 0.00 N ATOM 142 CA PHE A 10 0.561 -5.601 12.515 1.00 0.00 C ATOM 143 C PHE A 10 2.021 -5.937 12.216 1.00 0.00 C ATOM 144 O PHE A 10 2.342 -6.391 11.119 1.00 0.00 O ATOM 145 CB PHE A 10 0.348 -4.093 12.642 1.00 0.00 C ATOM 146 CG PHE A 10 0.546 -3.337 11.347 1.00 0.00 C ATOM 147 CD1 PHE A 10 1.839 -3.007 10.913 1.00 0.00 C ATOM 148 CD2 PHE A 10 -0.568 -2.966 10.583 1.00 0.00 C ATOM 149 CE1 PHE A 10 2.017 -2.315 9.708 1.00 0.00 C ATOM 150 CE2 PHE A 10 -0.387 -2.275 9.377 1.00 0.00 C ATOM 151 CZ PHE A 10 0.903 -1.949 8.939 1.00 0.00 C ATOM 0 H PHE A 10 -0.077 -5.602 14.506 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.032 -5.969 11.678 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -0.661 -3.908 13.009 1.00 0.00 H new ATOM 0 HB3 PHE A 10 1.036 -3.700 13.390 1.00 0.00 H new ATOM 0 HD1 PHE A 10 2.696 -3.286 11.508 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.563 -3.212 10.922 1.00 0.00 H new ATOM 0 HE1 PHE A 10 3.012 -2.063 9.371 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -1.244 -1.993 8.784 1.00 0.00 H new ATOM 0 HZ PHE A 10 1.040 -1.416 8.010 1.00 0.00 H new ATOM 161 N VAL A 11 2.910 -5.715 13.191 1.00 0.00 N ATOM 162 CA VAL A 11 4.329 -5.984 13.004 1.00 0.00 C ATOM 163 C VAL A 11 4.548 -7.466 12.717 1.00 0.00 C ATOM 164 O VAL A 11 5.175 -7.816 11.722 1.00 0.00 O ATOM 165 CB VAL A 11 5.123 -5.559 14.246 1.00 0.00 C ATOM 166 CG1 VAL A 11 6.611 -5.854 14.046 1.00 0.00 C ATOM 167 CG2 VAL A 11 4.961 -4.062 14.511 1.00 0.00 C ATOM 0 H VAL A 11 2.667 -5.351 14.112 1.00 0.00 H new ATOM 0 HA VAL A 11 4.685 -5.405 12.152 1.00 0.00 H new ATOM 0 HB VAL A 11 4.737 -6.123 15.095 1.00 0.00 H new ATOM 0 HG11 VAL A 11 7.165 -5.548 14.934 1.00 0.00 H new ATOM 0 HG12 VAL A 11 6.751 -6.922 13.881 1.00 0.00 H new ATOM 0 HG13 VAL A 11 6.978 -5.302 13.181 1.00 0.00 H new ATOM 0 HG21 VAL A 11 5.533 -3.785 15.396 1.00 0.00 H new ATOM 0 HG22 VAL A 11 5.326 -3.499 13.652 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.908 -3.833 14.674 1.00 0.00 H new ATOM 177 N ALA A 12 4.028 -8.330 13.590 1.00 0.00 N ATOM 178 CA ALA A 12 4.194 -9.766 13.472 1.00 0.00 C ATOM 179 C ALA A 12 3.647 -10.296 12.148 1.00 0.00 C ATOM 180 O ALA A 12 4.210 -11.239 11.596 1.00 0.00 O ATOM 181 CB ALA A 12 3.494 -10.429 14.656 1.00 0.00 C ATOM 0 H ALA A 12 3.478 -8.044 14.400 1.00 0.00 H new ATOM 0 HA ALA A 12 5.257 -10.005 13.483 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.607 -11.511 14.586 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.940 -10.077 15.586 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.435 -10.173 14.642 1.00 0.00 H new ATOM 187 N THR A 13 2.562 -9.712 11.628 1.00 0.00 N ATOM 188 CA THR A 13 2.039 -10.149 10.339 1.00 0.00 C ATOM 189 C THR A 13 2.955 -9.703 9.207 1.00 0.00 C ATOM 190 O THR A 13 3.191 -10.469 8.276 1.00 0.00 O ATOM 191 CB THR A 13 0.623 -9.612 10.123 1.00 0.00 C ATOM 192 OG1 THR A 13 -0.236 -10.142 11.105 1.00 0.00 O ATOM 193 CG2 THR A 13 0.098 -10.041 8.755 1.00 0.00 C ATOM 0 H THR A 13 2.043 -8.954 12.071 1.00 0.00 H new ATOM 0 HA THR A 13 1.999 -11.238 10.340 1.00 0.00 H new ATOM 0 HB THR A 13 0.653 -8.524 10.185 1.00 0.00 H new ATOM 0 HG1 THR A 13 -0.048 -9.717 11.968 1.00 0.00 H new ATOM 0 HG21 THR A 13 -0.911 -9.652 8.614 1.00 0.00 H new ATOM 0 HG22 THR A 13 0.751 -9.648 7.975 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.079 -11.129 8.698 1.00 0.00 H new ATOM 201 N LEU A 14 3.474 -8.474 9.275 1.00 0.00 N ATOM 202 CA LEU A 14 4.365 -7.971 8.238 1.00 0.00 C ATOM 203 C LEU A 14 5.664 -8.786 8.231 1.00 0.00 C ATOM 204 O LEU A 14 6.274 -8.994 7.183 1.00 0.00 O ATOM 205 CB LEU A 14 4.631 -6.488 8.512 1.00 0.00 C ATOM 206 CG LEU A 14 5.224 -5.739 7.316 1.00 0.00 C ATOM 207 CD1 LEU A 14 4.268 -5.768 6.122 1.00 0.00 C ATOM 208 CD2 LEU A 14 5.429 -4.286 7.728 1.00 0.00 C ATOM 0 H LEU A 14 3.292 -7.817 10.033 1.00 0.00 H new ATOM 0 HA LEU A 14 3.910 -8.073 7.253 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.697 -6.008 8.803 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.312 -6.400 9.359 1.00 0.00 H new ATOM 0 HG LEU A 14 6.161 -6.214 7.026 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.714 -5.229 5.286 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.082 -6.802 5.830 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.326 -5.294 6.399 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.852 -3.727 6.893 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.471 -3.849 8.009 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.111 -4.241 8.577 1.00 0.00 H new ATOM 220 N GLU A 15 6.080 -9.243 9.416 1.00 0.00 N ATOM 221 CA GLU A 15 7.250 -10.088 9.595 1.00 0.00 C ATOM 222 C GLU A 15 6.996 -11.463 8.988 1.00 0.00 C ATOM 223 O GLU A 15 7.850 -12.009 8.294 1.00 0.00 O ATOM 224 CB GLU A 15 7.535 -10.239 11.090 1.00 0.00 C ATOM 225 CG GLU A 15 7.971 -8.921 11.726 1.00 0.00 C ATOM 226 CD GLU A 15 9.492 -8.792 11.729 1.00 0.00 C ATOM 227 OE1 GLU A 15 10.057 -8.573 10.634 1.00 0.00 O ATOM 228 OE2 GLU A 15 10.084 -8.911 12.825 1.00 0.00 O ATOM 0 H GLU A 15 5.600 -9.028 10.290 1.00 0.00 H new ATOM 0 HA GLU A 15 8.105 -9.631 9.098 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.641 -10.606 11.594 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.314 -10.987 11.237 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.533 -8.086 11.179 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.596 -8.864 12.748 1.00 0.00 H new ATOM 235 N SER A 16 5.815 -12.030 9.248 1.00 0.00 N ATOM 236 CA SER A 16 5.417 -13.296 8.650 1.00 0.00 C ATOM 237 C SER A 16 5.289 -13.150 7.138 1.00 0.00 C ATOM 238 O SER A 16 5.442 -14.126 6.404 1.00 0.00 O ATOM 239 CB SER A 16 4.098 -13.768 9.256 1.00 0.00 C ATOM 240 OG SER A 16 4.285 -14.087 10.622 1.00 0.00 O ATOM 0 H SER A 16 5.118 -11.625 9.873 1.00 0.00 H new ATOM 0 HA SER A 16 6.184 -14.042 8.859 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.342 -12.990 9.155 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.731 -14.641 8.716 1.00 0.00 H new ATOM 0 HG SER A 16 4.279 -13.264 11.154 1.00 0.00 H new ATOM 246 N PHE A 17 5.009 -11.935 6.662 1.00 0.00 N ATOM 247 CA PHE A 17 4.971 -11.661 5.238 1.00 0.00 C ATOM 248 C PHE A 17 6.390 -11.746 4.674 1.00 0.00 C ATOM 249 O PHE A 17 6.610 -12.360 3.630 1.00 0.00 O ATOM 250 CB PHE A 17 4.360 -10.277 5.002 1.00 0.00 C ATOM 251 CG PHE A 17 3.445 -10.200 3.795 1.00 0.00 C ATOM 252 CD1 PHE A 17 3.823 -10.767 2.569 1.00 0.00 C ATOM 253 CD2 PHE A 17 2.206 -9.553 3.906 1.00 0.00 C ATOM 254 CE1 PHE A 17 2.960 -10.699 1.466 1.00 0.00 C ATOM 255 CE2 PHE A 17 1.340 -9.489 2.806 1.00 0.00 C ATOM 256 CZ PHE A 17 1.718 -10.064 1.584 1.00 0.00 C ATOM 0 H PHE A 17 4.806 -11.127 7.251 1.00 0.00 H new ATOM 0 HA PHE A 17 4.351 -12.397 4.726 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.798 -9.984 5.889 1.00 0.00 H new ATOM 0 HB3 PHE A 17 5.165 -9.552 4.881 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.781 -11.257 2.474 1.00 0.00 H new ATOM 0 HD2 PHE A 17 1.918 -9.102 4.844 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.254 -11.137 0.524 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.383 -8.998 2.899 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.052 -10.017 0.735 1.00 0.00 H new ATOM 266 N LYS A 18 7.350 -11.126 5.371 1.00 0.00 N ATOM 267 CA LYS A 18 8.757 -11.159 4.987 1.00 0.00 C ATOM 268 C LYS A 18 9.312 -12.584 5.041 1.00 0.00 C ATOM 269 O LYS A 18 10.199 -12.931 4.266 1.00 0.00 O ATOM 270 CB LYS A 18 9.531 -10.234 5.933 1.00 0.00 C ATOM 271 CG LYS A 18 11.018 -10.159 5.580 1.00 0.00 C ATOM 272 CD LYS A 18 11.731 -9.130 6.458 1.00 0.00 C ATOM 273 CE LYS A 18 11.561 -9.470 7.938 1.00 0.00 C ATOM 274 NZ LYS A 18 12.219 -8.470 8.797 1.00 0.00 N ATOM 0 H LYS A 18 7.167 -10.588 6.218 1.00 0.00 H new ATOM 0 HA LYS A 18 8.866 -10.816 3.958 1.00 0.00 H new ATOM 0 HB2 LYS A 18 9.099 -9.234 5.894 1.00 0.00 H new ATOM 0 HB3 LYS A 18 9.420 -10.590 6.957 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.478 -11.138 5.712 1.00 0.00 H new ATOM 0 HG3 LYS A 18 11.134 -9.891 4.530 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.791 -9.102 6.206 1.00 0.00 H new ATOM 0 HD3 LYS A 18 11.330 -8.136 6.260 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.500 -9.520 8.182 1.00 0.00 H new ATOM 0 HE3 LYS A 18 11.981 -10.456 8.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 11.621 -8.276 9.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.140 -8.836 9.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 12.361 -7.591 8.260 1.00 0.00 H new ATOM 359 N ILE A 24 1.185 -13.463 -2.287 1.00 0.00 N ATOM 360 CA ILE A 24 0.672 -12.202 -1.767 1.00 0.00 C ATOM 361 C ILE A 24 -0.688 -12.462 -1.118 1.00 0.00 C ATOM 362 O ILE A 24 -1.673 -11.781 -1.403 1.00 0.00 O ATOM 363 CB ILE A 24 0.610 -11.147 -2.884 1.00 0.00 C ATOM 364 CG1 ILE A 24 1.869 -11.140 -3.764 1.00 0.00 C ATOM 365 CG2 ILE A 24 0.403 -9.754 -2.276 1.00 0.00 C ATOM 366 CD1 ILE A 24 3.149 -10.838 -2.987 1.00 0.00 C ATOM 0 HA ILE A 24 1.340 -11.798 -1.006 1.00 0.00 H new ATOM 0 HB ILE A 24 -0.233 -11.410 -3.523 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.968 -12.110 -4.251 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.748 -10.398 -4.553 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.360 -9.012 -3.073 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.531 -9.737 -1.714 1.00 0.00 H new ATOM 0 HG23 ILE A 24 1.232 -9.522 -1.608 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.000 -10.849 -3.669 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.069 -9.855 -2.522 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.293 -11.594 -2.215 1.00 0.00 H new ATOM 378 N SER A 25 -0.746 -13.462 -0.232 1.00 0.00 N ATOM 379 CA SER A 25 -1.983 -13.886 0.406 1.00 0.00 C ATOM 380 C SER A 25 -2.692 -12.727 1.107 1.00 0.00 C ATOM 381 O SER A 25 -2.079 -11.964 1.854 1.00 0.00 O ATOM 382 CB SER A 25 -1.690 -15.022 1.385 1.00 0.00 C ATOM 383 OG SER A 25 -1.276 -16.173 0.678 1.00 0.00 O ATOM 0 H SER A 25 0.071 -13.998 0.060 1.00 0.00 H new ATOM 0 HA SER A 25 -2.661 -14.245 -0.369 1.00 0.00 H new ATOM 0 HB2 SER A 25 -0.914 -14.717 2.087 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.581 -15.246 1.972 1.00 0.00 H new ATOM 0 HG SER A 25 -1.088 -16.896 1.312 1.00 0.00 H new ATOM 389 N GLY A 26 -4.000 -12.609 0.852 1.00 0.00 N ATOM 390 CA GLY A 26 -4.853 -11.561 1.388 1.00 0.00 C ATOM 391 C GLY A 26 -4.987 -11.613 2.905 1.00 0.00 C ATOM 392 O GLY A 26 -5.367 -10.617 3.512 1.00 0.00 O ATOM 0 H GLY A 26 -4.501 -13.262 0.249 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.451 -10.590 1.098 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -5.843 -11.642 0.939 1.00 0.00 H new ATOM 396 N SER A 27 -4.685 -12.752 3.538 1.00 0.00 N ATOM 397 CA SER A 27 -4.873 -12.894 4.976 1.00 0.00 C ATOM 398 C SER A 27 -3.908 -11.994 5.735 1.00 0.00 C ATOM 399 O SER A 27 -4.275 -11.394 6.746 1.00 0.00 O ATOM 400 CB SER A 27 -4.707 -14.358 5.369 1.00 0.00 C ATOM 401 OG SER A 27 -3.443 -14.834 4.956 1.00 0.00 O ATOM 0 H SER A 27 -4.312 -13.581 3.076 1.00 0.00 H new ATOM 0 HA SER A 27 -5.882 -12.580 5.243 1.00 0.00 H new ATOM 0 HB2 SER A 27 -4.809 -14.466 6.449 1.00 0.00 H new ATOM 0 HB3 SER A 27 -5.496 -14.956 4.913 1.00 0.00 H new ATOM 0 HG SER A 27 -3.139 -15.533 5.572 1.00 0.00 H new ATOM 407 N ARG A 28 -2.665 -11.894 5.253 1.00 0.00 N ATOM 408 CA ARG A 28 -1.675 -11.029 5.877 1.00 0.00 C ATOM 409 C ARG A 28 -2.100 -9.578 5.679 1.00 0.00 C ATOM 410 O ARG A 28 -1.967 -8.762 6.589 1.00 0.00 O ATOM 411 CB ARG A 28 -0.287 -11.277 5.275 1.00 0.00 C ATOM 412 CG ARG A 28 0.355 -12.599 5.707 1.00 0.00 C ATOM 413 CD ARG A 28 -0.453 -13.820 5.274 1.00 0.00 C ATOM 414 NE ARG A 28 0.305 -15.064 5.476 1.00 0.00 N ATOM 415 CZ ARG A 28 -0.041 -16.235 4.933 1.00 0.00 C ATOM 416 NH1 ARG A 28 -1.135 -16.335 4.182 1.00 0.00 N ATOM 417 NH2 ARG A 28 0.705 -17.315 5.136 1.00 0.00 N ATOM 0 H ARG A 28 -2.327 -12.402 4.435 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.615 -11.248 6.943 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -0.366 -11.262 4.188 1.00 0.00 H new ATOM 0 HB3 ARG A 28 0.372 -10.456 5.558 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.358 -12.665 5.286 1.00 0.00 H new ATOM 0 HG3 ARG A 28 0.464 -12.607 6.792 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -1.383 -13.863 5.841 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -0.725 -13.724 4.223 1.00 0.00 H new ATOM 0 HE ARG A 28 1.139 -15.031 6.062 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -1.717 -15.514 4.017 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.391 -17.233 3.771 1.00 0.00 H new ATOM 0 HH21 ARG A 28 1.547 -17.253 5.709 1.00 0.00 H new ATOM 0 HH22 ARG A 28 0.436 -18.206 4.719 1.00 0.00 H new ATOM 431 N ILE A 29 -2.614 -9.252 4.488 1.00 0.00 N ATOM 432 CA ILE A 29 -3.110 -7.917 4.200 1.00 0.00 C ATOM 433 C ILE A 29 -4.303 -7.616 5.102 1.00 0.00 C ATOM 434 O ILE A 29 -4.439 -6.496 5.592 1.00 0.00 O ATOM 435 CB ILE A 29 -3.490 -7.806 2.714 1.00 0.00 C ATOM 436 CG1 ILE A 29 -2.268 -8.127 1.840 1.00 0.00 C ATOM 437 CG2 ILE A 29 -4.003 -6.394 2.419 1.00 0.00 C ATOM 438 CD1 ILE A 29 -2.601 -8.075 0.348 1.00 0.00 C ATOM 0 H ILE A 29 -2.694 -9.905 3.708 1.00 0.00 H new ATOM 0 HA ILE A 29 -2.331 -7.181 4.400 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.280 -8.522 2.485 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.470 -7.418 2.058 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.892 -9.118 2.093 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -4.272 -6.317 1.365 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -4.880 -6.190 3.033 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.223 -5.668 2.648 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.708 -8.308 -0.232 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -3.380 -8.803 0.124 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -2.952 -7.076 0.088 1.00 0.00 H new ATOM 450 N LYS A 30 -5.172 -8.606 5.330 1.00 0.00 N ATOM 451 CA LYS A 30 -6.348 -8.438 6.174 1.00 0.00 C ATOM 452 C LYS A 30 -5.942 -8.129 7.613 1.00 0.00 C ATOM 453 O LYS A 30 -6.580 -7.292 8.243 1.00 0.00 O ATOM 454 CB LYS A 30 -7.235 -9.685 6.067 1.00 0.00 C ATOM 455 CG LYS A 30 -8.112 -9.586 4.816 1.00 0.00 C ATOM 456 CD LYS A 30 -9.268 -8.613 5.046 1.00 0.00 C ATOM 457 CE LYS A 30 -9.967 -8.353 3.715 1.00 0.00 C ATOM 458 NZ LYS A 30 -11.198 -7.565 3.906 1.00 0.00 N ATOM 0 H LYS A 30 -5.076 -9.541 4.934 1.00 0.00 H new ATOM 0 HA LYS A 30 -6.930 -7.584 5.828 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.616 -10.581 6.019 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -7.860 -9.776 6.955 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.512 -9.252 3.970 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.503 -10.571 4.561 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -9.972 -9.028 5.767 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.896 -7.678 5.465 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -9.292 -7.822 3.044 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -10.210 -9.302 3.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -11.653 -7.403 2.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -11.850 -8.085 4.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -10.961 -6.650 4.341 1.00 0.00 H new ATOM 472 N LYS A 31 -4.899 -8.781 8.144 1.00 0.00 N ATOM 473 CA LYS A 31 -4.414 -8.452 9.484 1.00 0.00 C ATOM 474 C LYS A 31 -3.836 -7.039 9.513 1.00 0.00 C ATOM 475 O LYS A 31 -4.154 -6.260 10.410 1.00 0.00 O ATOM 476 CB LYS A 31 -3.362 -9.469 9.943 1.00 0.00 C ATOM 477 CG LYS A 31 -3.850 -10.292 11.136 1.00 0.00 C ATOM 478 CD LYS A 31 -5.054 -11.174 10.800 1.00 0.00 C ATOM 479 CE LYS A 31 -4.662 -12.253 9.793 1.00 0.00 C ATOM 480 NZ LYS A 31 -5.804 -13.136 9.494 1.00 0.00 N ATOM 0 H LYS A 31 -4.385 -9.526 7.673 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.258 -8.495 10.172 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.117 -10.137 9.117 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.445 -8.946 10.213 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.035 -10.920 11.495 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.116 -9.619 11.951 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.437 -11.638 11.709 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.858 -10.562 10.392 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.308 -11.786 8.874 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.836 -12.843 10.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.512 -13.861 8.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.125 -13.597 10.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.582 -12.574 9.094 1.00 0.00 H new ATOM 494 N LEU A 32 -2.989 -6.701 8.537 1.00 0.00 N ATOM 495 CA LEU A 32 -2.360 -5.394 8.482 1.00 0.00 C ATOM 496 C LEU A 32 -3.412 -4.287 8.406 1.00 0.00 C ATOM 497 O LEU A 32 -3.459 -3.412 9.270 1.00 0.00 O ATOM 498 CB LEU A 32 -1.403 -5.337 7.285 1.00 0.00 C ATOM 499 CG LEU A 32 -0.190 -6.259 7.472 1.00 0.00 C ATOM 500 CD1 LEU A 32 0.603 -6.313 6.174 1.00 0.00 C ATOM 501 CD2 LEU A 32 0.717 -5.750 8.581 1.00 0.00 C ATOM 0 H LEU A 32 -2.727 -7.324 7.773 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.787 -5.233 9.395 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.938 -5.622 6.379 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.060 -4.312 7.144 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.551 -7.251 7.742 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.466 -6.967 6.302 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.031 -6.700 5.376 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.943 -5.311 5.913 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.568 -6.422 8.692 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.074 -4.751 8.330 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.160 -5.712 9.517 1.00 0.00 H new ATOM 513 N THR A 33 -4.260 -4.321 7.374 1.00 0.00 N ATOM 514 CA THR A 33 -5.312 -3.334 7.190 1.00 0.00 C ATOM 515 C THR A 33 -6.259 -3.255 8.380 1.00 0.00 C ATOM 516 O THR A 33 -6.528 -2.157 8.862 1.00 0.00 O ATOM 517 CB THR A 33 -6.108 -3.680 5.936 1.00 0.00 C ATOM 518 OG1 THR A 33 -6.619 -4.993 6.016 1.00 0.00 O ATOM 519 CG2 THR A 33 -5.208 -3.586 4.712 1.00 0.00 C ATOM 0 H THR A 33 -4.231 -5.035 6.647 1.00 0.00 H new ATOM 0 HA THR A 33 -4.832 -2.360 7.092 1.00 0.00 H new ATOM 0 HB THR A 33 -6.934 -2.974 5.854 1.00 0.00 H new ATOM 0 HG1 THR A 33 -5.953 -5.625 5.672 1.00 0.00 H new ATOM 0 HG21 THR A 33 -5.781 -3.834 3.819 1.00 0.00 H new ATOM 0 HG22 THR A 33 -4.819 -2.572 4.623 1.00 0.00 H new ATOM 0 HG23 THR A 33 -4.378 -4.285 4.816 1.00 0.00 H new ATOM 527 N THR A 34 -6.766 -4.391 8.860 1.00 0.00 N ATOM 528 CA THR A 34 -7.755 -4.352 9.929 1.00 0.00 C ATOM 529 C THR A 34 -7.177 -3.734 11.194 1.00 0.00 C ATOM 530 O THR A 34 -7.843 -2.918 11.827 1.00 0.00 O ATOM 531 CB THR A 34 -8.367 -5.734 10.182 1.00 0.00 C ATOM 532 OG1 THR A 34 -9.619 -5.565 10.808 1.00 0.00 O ATOM 533 CG2 THR A 34 -7.509 -6.629 11.079 1.00 0.00 C ATOM 0 H THR A 34 -6.515 -5.324 8.534 1.00 0.00 H new ATOM 0 HA THR A 34 -8.570 -3.706 9.604 1.00 0.00 H new ATOM 0 HB THR A 34 -8.448 -6.224 9.212 1.00 0.00 H new ATOM 0 HG1 THR A 34 -10.023 -6.442 10.974 1.00 0.00 H new ATOM 0 HG21 THR A 34 -8.004 -7.590 11.214 1.00 0.00 H new ATOM 0 HG22 THR A 34 -6.536 -6.785 10.614 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.375 -6.150 12.049 1.00 0.00 H new ATOM 541 N TYR A 35 -5.952 -4.107 11.578 1.00 0.00 N ATOM 542 CA TYR A 35 -5.373 -3.576 12.805 1.00 0.00 C ATOM 543 C TYR A 35 -4.854 -2.146 12.645 1.00 0.00 C ATOM 544 O TYR A 35 -4.712 -1.444 13.644 1.00 0.00 O ATOM 545 CB TYR A 35 -4.344 -4.550 13.375 1.00 0.00 C ATOM 546 CG TYR A 35 -5.023 -5.754 13.994 1.00 0.00 C ATOM 547 CD1 TYR A 35 -5.852 -5.575 15.111 1.00 0.00 C ATOM 548 CD2 TYR A 35 -4.836 -7.039 13.459 1.00 0.00 C ATOM 549 CE1 TYR A 35 -6.524 -6.669 15.676 1.00 0.00 C ATOM 550 CE2 TYR A 35 -5.505 -8.138 14.019 1.00 0.00 C ATOM 551 CZ TYR A 35 -6.358 -7.955 15.127 1.00 0.00 C ATOM 552 OH TYR A 35 -7.016 -9.017 15.672 1.00 0.00 O ATOM 0 H TYR A 35 -5.358 -4.760 11.067 1.00 0.00 H new ATOM 0 HA TYR A 35 -6.168 -3.489 13.546 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -3.668 -4.875 12.584 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -3.736 -4.045 14.125 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -5.974 -4.590 15.538 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -4.177 -7.181 12.616 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -7.168 -6.525 16.531 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -5.367 -9.124 13.601 1.00 0.00 H new ATOM 0 HH TYR A 35 -6.792 -9.831 15.174 1.00 0.00 H new ATOM 562 N ALA A 36 -4.566 -1.693 11.419 1.00 0.00 N ATOM 563 CA ALA A 36 -4.295 -0.286 11.188 1.00 0.00 C ATOM 564 C ALA A 36 -5.567 0.532 11.395 1.00 0.00 C ATOM 565 O ALA A 36 -5.582 1.464 12.196 1.00 0.00 O ATOM 566 CB ALA A 36 -3.741 -0.103 9.779 1.00 0.00 C ATOM 0 H ALA A 36 -4.517 -2.280 10.586 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.551 0.069 11.901 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.537 0.953 9.603 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.818 -0.674 9.674 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.472 -0.457 9.052 1.00 0.00 H new ATOM 572 N LEU A 37 -6.633 0.179 10.668 1.00 0.00 N ATOM 573 CA LEU A 37 -7.904 0.891 10.680 1.00 0.00 C ATOM 574 C LEU A 37 -8.583 0.795 12.048 1.00 0.00 C ATOM 575 O LEU A 37 -9.367 1.671 12.414 1.00 0.00 O ATOM 576 CB LEU A 37 -8.791 0.306 9.577 1.00 0.00 C ATOM 577 CG LEU A 37 -8.149 0.468 8.193 1.00 0.00 C ATOM 578 CD1 LEU A 37 -8.907 -0.369 7.166 1.00 0.00 C ATOM 579 CD2 LEU A 37 -8.161 1.926 7.736 1.00 0.00 C ATOM 0 H LEU A 37 -6.630 -0.628 10.044 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.733 1.951 10.492 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -8.970 -0.751 9.775 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -9.762 0.801 9.589 1.00 0.00 H new ATOM 0 HG LEU A 37 -7.115 0.132 8.271 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -8.445 -0.249 6.186 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -8.874 -1.419 7.456 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -9.945 -0.038 7.121 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.698 2.003 6.752 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -9.190 2.282 7.682 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.603 2.535 8.448 1.00 0.00 H new ATOM 591 N ASP A 38 -8.288 -0.263 12.806 1.00 0.00 N ATOM 592 CA ASP A 38 -8.802 -0.441 14.157 1.00 0.00 C ATOM 593 C ASP A 38 -8.074 0.454 15.160 1.00 0.00 C ATOM 594 O ASP A 38 -8.569 0.666 16.265 1.00 0.00 O ATOM 595 CB ASP A 38 -8.621 -1.906 14.547 1.00 0.00 C ATOM 596 CG ASP A 38 -9.154 -2.194 15.948 1.00 0.00 C ATOM 597 OD1 ASP A 38 -10.384 -2.068 16.133 1.00 0.00 O ATOM 598 OD2 ASP A 38 -8.326 -2.537 16.822 1.00 0.00 O ATOM 0 H ASP A 38 -7.682 -1.022 12.494 1.00 0.00 H new ATOM 0 HA ASP A 38 -9.855 -0.161 14.175 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -9.137 -2.540 13.825 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -7.563 -2.166 14.501 1.00 0.00 H new ATOM 603 N HIS A 39 -6.903 0.982 14.785 1.00 0.00 N ATOM 604 CA HIS A 39 -6.066 1.741 15.701 1.00 0.00 C ATOM 605 C HIS A 39 -5.330 2.870 14.980 1.00 0.00 C ATOM 606 O HIS A 39 -4.120 3.026 15.137 1.00 0.00 O ATOM 607 CB HIS A 39 -5.101 0.785 16.410 1.00 0.00 C ATOM 608 CG HIS A 39 -4.351 1.430 17.549 1.00 0.00 C ATOM 609 ND1 HIS A 39 -4.843 2.452 18.370 1.00 0.00 N ATOM 610 CD2 HIS A 39 -3.086 1.106 17.946 1.00 0.00 C ATOM 611 CE1 HIS A 39 -3.853 2.718 19.238 1.00 0.00 C ATOM 612 NE2 HIS A 39 -2.789 1.926 19.008 1.00 0.00 N ATOM 0 H HIS A 39 -6.518 0.892 13.845 1.00 0.00 H new ATOM 0 HA HIS A 39 -6.696 2.219 16.451 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.661 -0.069 16.790 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -4.385 0.399 15.685 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -2.445 0.354 17.511 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -3.904 3.466 20.015 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -1.914 1.933 19.532 1.00 0.00 H new ATOM 620 N ILE A 40 -6.062 3.661 14.187 1.00 0.00 N ATOM 621 CA ILE A 40 -5.544 4.880 13.572 1.00 0.00 C ATOM 622 C ILE A 40 -5.153 5.899 14.649 1.00 0.00 C ATOM 623 O ILE A 40 -5.886 6.846 14.934 1.00 0.00 O ATOM 624 CB ILE A 40 -6.573 5.436 12.579 1.00 0.00 C ATOM 625 CG1 ILE A 40 -6.946 4.383 11.533 1.00 0.00 C ATOM 626 CG2 ILE A 40 -6.015 6.672 11.869 1.00 0.00 C ATOM 627 CD1 ILE A 40 -5.752 3.979 10.668 1.00 0.00 C ATOM 0 H ILE A 40 -7.036 3.469 13.955 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.637 4.654 13.011 1.00 0.00 H new ATOM 0 HB ILE A 40 -7.465 5.710 13.143 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -7.344 3.501 12.034 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -7.739 4.772 10.895 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -6.757 7.055 11.168 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -5.782 7.441 12.606 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -5.109 6.402 11.327 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.066 3.230 9.941 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.369 4.855 10.144 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -4.968 3.564 11.301 1.00 0.00 H new ATOM 639 N ASP A 41 -3.978 5.682 15.243 1.00 0.00 N ATOM 640 CA ASP A 41 -3.354 6.534 16.248 1.00 0.00 C ATOM 641 C ASP A 41 -1.833 6.340 16.176 1.00 0.00 C ATOM 642 O ASP A 41 -1.098 6.670 17.104 1.00 0.00 O ATOM 643 CB ASP A 41 -3.901 6.157 17.628 1.00 0.00 C ATOM 644 CG ASP A 41 -3.420 7.109 18.722 1.00 0.00 C ATOM 645 OD1 ASP A 41 -3.523 8.339 18.509 1.00 0.00 O ATOM 646 OD2 ASP A 41 -2.952 6.598 19.764 1.00 0.00 O ATOM 0 H ASP A 41 -3.410 4.864 15.022 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.580 7.585 16.067 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.991 6.162 17.598 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.593 5.140 17.873 1.00 0.00 H new ATOM 651 N ILE A 42 -1.375 5.791 15.047 1.00 0.00 N ATOM 652 CA ILE A 42 -0.003 5.358 14.811 1.00 0.00 C ATOM 653 C ILE A 42 0.327 5.573 13.336 1.00 0.00 C ATOM 654 O ILE A 42 1.030 4.782 12.713 1.00 0.00 O ATOM 655 CB ILE A 42 0.198 3.889 15.243 1.00 0.00 C ATOM 656 CG1 ILE A 42 -1.110 3.094 15.214 1.00 0.00 C ATOM 657 CG2 ILE A 42 0.840 3.828 16.630 1.00 0.00 C ATOM 658 CD1 ILE A 42 -0.821 1.599 15.356 1.00 0.00 C ATOM 0 H ILE A 42 -1.979 5.631 14.241 1.00 0.00 H new ATOM 0 HA ILE A 42 0.683 5.950 15.416 1.00 0.00 H new ATOM 0 HB ILE A 42 0.869 3.423 14.521 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.763 3.424 16.022 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.638 3.283 14.280 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.976 2.787 16.922 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.809 4.327 16.605 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.193 4.326 17.352 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.759 1.043 15.334 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -0.186 1.271 14.533 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.312 1.415 16.302 1.00 0.00 H new ATOM 670 N GLU A 43 -0.190 6.660 12.770 1.00 0.00 N ATOM 671 CA GLU A 43 -0.064 6.971 11.355 1.00 0.00 C ATOM 672 C GLU A 43 1.375 6.915 10.835 1.00 0.00 C ATOM 673 O GLU A 43 1.650 6.217 9.862 1.00 0.00 O ATOM 674 CB GLU A 43 -0.708 8.343 11.104 1.00 0.00 C ATOM 675 CG GLU A 43 -0.017 9.523 11.799 1.00 0.00 C ATOM 676 CD GLU A 43 0.058 9.359 13.319 1.00 0.00 C ATOM 677 OE1 GLU A 43 -1.001 9.515 13.965 1.00 0.00 O ATOM 678 OE2 GLU A 43 1.170 9.078 13.817 1.00 0.00 O ATOM 0 H GLU A 43 -0.717 7.359 13.293 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.586 6.199 10.790 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.720 8.530 10.030 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.747 8.305 11.433 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.992 9.633 11.400 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.554 10.442 11.564 1.00 0.00 H new ATOM 685 N SER A 44 2.306 7.635 11.464 1.00 0.00 N ATOM 686 CA SER A 44 3.670 7.743 10.958 1.00 0.00 C ATOM 687 C SER A 44 4.483 6.481 11.210 1.00 0.00 C ATOM 688 O SER A 44 5.454 6.231 10.497 1.00 0.00 O ATOM 689 CB SER A 44 4.346 8.963 11.581 1.00 0.00 C ATOM 690 OG SER A 44 4.406 8.823 12.984 1.00 0.00 O ATOM 0 H SER A 44 2.137 8.152 12.327 1.00 0.00 H new ATOM 0 HA SER A 44 3.621 7.866 9.876 1.00 0.00 H new ATOM 0 HB2 SER A 44 5.352 9.077 11.176 1.00 0.00 H new ATOM 0 HB3 SER A 44 3.794 9.866 11.322 1.00 0.00 H new ATOM 0 HG SER A 44 4.842 9.610 13.373 1.00 0.00 H new ATOM 696 N LYS A 45 4.102 5.683 12.208 1.00 0.00 N ATOM 697 CA LYS A 45 4.810 4.460 12.550 1.00 0.00 C ATOM 698 C LYS A 45 4.290 3.306 11.696 1.00 0.00 C ATOM 699 O LYS A 45 5.085 2.496 11.222 1.00 0.00 O ATOM 700 CB LYS A 45 4.777 4.194 14.065 1.00 0.00 C ATOM 701 CG LYS A 45 3.557 4.720 14.818 1.00 0.00 C ATOM 702 CD LYS A 45 3.433 6.251 14.804 1.00 0.00 C ATOM 703 CE LYS A 45 2.985 6.792 16.154 1.00 0.00 C ATOM 704 NZ LYS A 45 2.789 8.254 16.088 1.00 0.00 N ATOM 0 H LYS A 45 3.293 5.871 12.799 1.00 0.00 H new ATOM 0 HA LYS A 45 5.868 4.569 12.313 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.840 3.118 14.225 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.669 4.635 14.509 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.657 4.288 14.380 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.604 4.378 15.852 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.393 6.691 14.536 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.719 6.551 14.037 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.056 6.308 16.456 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.730 6.553 16.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.310 8.579 16.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.713 8.725 16.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.206 8.489 15.259 1.00 0.00 H new ATOM 718 N ILE A 46 2.972 3.222 11.493 1.00 0.00 N ATOM 719 CA ILE A 46 2.403 2.269 10.549 1.00 0.00 C ATOM 720 C ILE A 46 3.006 2.512 9.162 1.00 0.00 C ATOM 721 O ILE A 46 3.491 1.583 8.511 1.00 0.00 O ATOM 722 CB ILE A 46 0.874 2.417 10.522 1.00 0.00 C ATOM 723 CG1 ILE A 46 0.275 1.811 11.798 1.00 0.00 C ATOM 724 CG2 ILE A 46 0.249 1.725 9.307 1.00 0.00 C ATOM 725 CD1 ILE A 46 -1.243 1.997 11.864 1.00 0.00 C ATOM 0 H ILE A 46 2.284 3.804 11.971 1.00 0.00 H new ATOM 0 HA ILE A 46 2.639 1.251 10.857 1.00 0.00 H new ATOM 0 HB ILE A 46 0.652 3.482 10.459 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.512 0.748 11.840 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.735 2.275 12.670 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.833 1.856 9.330 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.648 2.164 8.393 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.486 0.661 9.332 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.624 1.553 12.783 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.480 3.061 11.849 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.707 1.510 11.006 1.00 0.00 H new ATOM 737 N ILE A 47 2.978 3.769 8.702 1.00 0.00 N ATOM 738 CA ILE A 47 3.473 4.116 7.379 1.00 0.00 C ATOM 739 C ILE A 47 4.981 3.929 7.264 1.00 0.00 C ATOM 740 O ILE A 47 5.433 3.283 6.323 1.00 0.00 O ATOM 741 CB ILE A 47 3.056 5.545 7.021 1.00 0.00 C ATOM 742 CG1 ILE A 47 1.545 5.622 6.758 1.00 0.00 C ATOM 743 CG2 ILE A 47 3.803 6.032 5.779 1.00 0.00 C ATOM 744 CD1 ILE A 47 1.038 4.572 5.768 1.00 0.00 C ATOM 0 H ILE A 47 2.615 4.560 9.234 1.00 0.00 H new ATOM 0 HA ILE A 47 3.022 3.431 6.661 1.00 0.00 H new ATOM 0 HB ILE A 47 3.308 6.183 7.868 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.014 5.504 7.703 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.302 6.614 6.378 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.491 7.049 5.543 1.00 0.00 H new ATOM 0 HG22 ILE A 47 4.876 6.016 5.970 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.575 5.378 4.937 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.037 4.689 5.633 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.541 4.703 4.810 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.249 3.575 6.155 1.00 0.00 H new ATOM 756 N SER A 48 5.775 4.470 8.193 1.00 0.00 N ATOM 757 CA SER A 48 7.212 4.271 8.094 1.00 0.00 C ATOM 758 C SER A 48 7.547 2.781 8.118 1.00 0.00 C ATOM 759 O SER A 48 8.518 2.367 7.491 1.00 0.00 O ATOM 760 CB SER A 48 7.953 5.016 9.200 1.00 0.00 C ATOM 761 OG SER A 48 7.566 4.540 10.469 1.00 0.00 O ATOM 0 H SER A 48 5.459 5.025 8.988 1.00 0.00 H new ATOM 0 HA SER A 48 7.545 4.683 7.142 1.00 0.00 H new ATOM 0 HB2 SER A 48 9.028 4.891 9.072 1.00 0.00 H new ATOM 0 HB3 SER A 48 7.745 6.084 9.128 1.00 0.00 H new ATOM 0 HG SER A 48 6.818 5.076 10.805 1.00 0.00 H new ATOM 767 N LEU A 49 6.758 1.968 8.829 1.00 0.00 N ATOM 768 CA LEU A 49 7.002 0.535 8.880 1.00 0.00 C ATOM 769 C LEU A 49 6.724 -0.146 7.537 1.00 0.00 C ATOM 770 O LEU A 49 7.532 -0.970 7.113 1.00 0.00 O ATOM 771 CB LEU A 49 6.175 -0.082 10.009 1.00 0.00 C ATOM 772 CG LEU A 49 6.373 -1.597 10.119 1.00 0.00 C ATOM 773 CD1 LEU A 49 7.838 -1.953 10.371 1.00 0.00 C ATOM 774 CD2 LEU A 49 5.539 -2.124 11.279 1.00 0.00 C ATOM 0 H LEU A 49 5.953 2.281 9.371 1.00 0.00 H new ATOM 0 HA LEU A 49 8.060 0.372 9.087 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.449 0.387 10.954 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.120 0.132 9.841 1.00 0.00 H new ATOM 0 HG LEU A 49 6.063 -2.049 9.177 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.942 -3.036 10.444 1.00 0.00 H new ATOM 0 HD12 LEU A 49 8.449 -1.584 9.547 1.00 0.00 H new ATOM 0 HD13 LEU A 49 8.169 -1.493 11.302 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.674 -3.202 11.364 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.858 -1.644 12.204 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.487 -1.903 11.100 1.00 0.00 H new ATOM 786 N ILE A 50 5.614 0.165 6.852 1.00 0.00 N ATOM 787 CA ILE A 50 5.344 -0.500 5.575 1.00 0.00 C ATOM 788 C ILE A 50 6.282 -0.017 4.468 1.00 0.00 C ATOM 789 O ILE A 50 6.666 -0.800 3.597 1.00 0.00 O ATOM 790 CB ILE A 50 3.878 -0.354 5.153 1.00 0.00 C ATOM 791 CG1 ILE A 50 3.498 1.113 4.934 1.00 0.00 C ATOM 792 CG2 ILE A 50 2.979 -1.018 6.200 1.00 0.00 C ATOM 793 CD1 ILE A 50 2.062 1.259 4.440 1.00 0.00 C ATOM 0 H ILE A 50 4.915 0.846 7.148 1.00 0.00 H new ATOM 0 HA ILE A 50 5.539 -1.561 5.731 1.00 0.00 H new ATOM 0 HB ILE A 50 3.736 -0.857 4.197 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.619 1.663 5.867 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.179 1.561 4.210 1.00 0.00 H new ATOM 0 HG21 ILE A 50 1.936 -0.915 5.902 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.231 -2.075 6.278 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.129 -0.537 7.166 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.832 2.315 4.297 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.948 0.731 3.493 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.379 0.835 5.176 1.00 0.00 H new ATOM 805 N ILE A 51 6.662 1.266 4.484 1.00 0.00 N ATOM 806 CA ILE A 51 7.590 1.799 3.495 1.00 0.00 C ATOM 807 C ILE A 51 8.947 1.120 3.672 1.00 0.00 C ATOM 808 O ILE A 51 9.537 0.610 2.720 1.00 0.00 O ATOM 809 CB ILE A 51 7.742 3.310 3.698 1.00 0.00 C ATOM 810 CG1 ILE A 51 6.419 4.030 3.423 1.00 0.00 C ATOM 811 CG2 ILE A 51 8.845 3.852 2.783 1.00 0.00 C ATOM 812 CD1 ILE A 51 6.505 5.479 3.892 1.00 0.00 C ATOM 0 H ILE A 51 6.339 1.948 5.171 1.00 0.00 H new ATOM 0 HA ILE A 51 7.210 1.608 2.491 1.00 0.00 H new ATOM 0 HB ILE A 51 8.020 3.495 4.736 1.00 0.00 H new ATOM 0 HG12 ILE A 51 6.193 3.997 2.357 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.605 3.520 3.938 1.00 0.00 H new ATOM 0 HG21 ILE A 51 8.947 4.927 2.933 1.00 0.00 H new ATOM 0 HG22 ILE A 51 9.789 3.361 3.021 1.00 0.00 H new ATOM 0 HG23 ILE A 51 8.585 3.654 1.743 1.00 0.00 H new ATOM 0 HD11 ILE A 51 5.559 5.983 3.692 1.00 0.00 H new ATOM 0 HD12 ILE A 51 6.710 5.503 4.962 1.00 0.00 H new ATOM 0 HD13 ILE A 51 7.307 5.988 3.357 1.00 0.00 H new ATOM 824 N ASP A 52 9.430 1.124 4.915 1.00 0.00 N ATOM 825 CA ASP A 52 10.682 0.487 5.279 1.00 0.00 C ATOM 826 C ASP A 52 10.644 -1.003 4.937 1.00 0.00 C ATOM 827 O ASP A 52 11.629 -1.553 4.445 1.00 0.00 O ATOM 828 CB ASP A 52 10.896 0.693 6.775 1.00 0.00 C ATOM 829 CG ASP A 52 12.274 0.222 7.229 1.00 0.00 C ATOM 830 OD1 ASP A 52 13.268 0.719 6.658 1.00 0.00 O ATOM 831 OD2 ASP A 52 12.316 -0.630 8.145 1.00 0.00 O ATOM 0 H ASP A 52 8.955 1.574 5.698 1.00 0.00 H new ATOM 0 HA ASP A 52 11.507 0.929 4.720 1.00 0.00 H new ATOM 0 HB2 ASP A 52 10.777 1.750 7.015 1.00 0.00 H new ATOM 0 HB3 ASP A 52 10.128 0.152 7.328 1.00 0.00 H new ATOM 836 N TYR A 53 9.507 -1.657 5.200 1.00 0.00 N ATOM 837 CA TYR A 53 9.320 -3.053 4.850 1.00 0.00 C ATOM 838 C TYR A 53 9.515 -3.241 3.349 1.00 0.00 C ATOM 839 O TYR A 53 10.123 -4.221 2.926 1.00 0.00 O ATOM 840 CB TYR A 53 7.918 -3.494 5.266 1.00 0.00 C ATOM 841 CG TYR A 53 7.427 -4.743 4.567 1.00 0.00 C ATOM 842 CD1 TYR A 53 7.918 -6.005 4.935 1.00 0.00 C ATOM 843 CD2 TYR A 53 6.473 -4.628 3.546 1.00 0.00 C ATOM 844 CE1 TYR A 53 7.450 -7.155 4.279 1.00 0.00 C ATOM 845 CE2 TYR A 53 6.003 -5.771 2.887 1.00 0.00 C ATOM 846 CZ TYR A 53 6.490 -7.040 3.252 1.00 0.00 C ATOM 847 OH TYR A 53 6.036 -8.151 2.610 1.00 0.00 O ATOM 0 H TYR A 53 8.702 -1.230 5.658 1.00 0.00 H new ATOM 0 HA TYR A 53 10.055 -3.664 5.373 1.00 0.00 H new ATOM 0 HB2 TYR A 53 7.908 -3.666 6.342 1.00 0.00 H new ATOM 0 HB3 TYR A 53 7.220 -2.681 5.066 1.00 0.00 H new ATOM 0 HD1 TYR A 53 8.654 -6.092 5.721 1.00 0.00 H new ATOM 0 HD2 TYR A 53 6.099 -3.654 3.267 1.00 0.00 H new ATOM 0 HE1 TYR A 53 7.825 -8.128 4.561 1.00 0.00 H new ATOM 0 HE2 TYR A 53 5.269 -5.679 2.101 1.00 0.00 H new ATOM 0 HH TYR A 53 5.378 -7.891 1.932 1.00 0.00 H new ATOM 857 N SER A 54 9.002 -2.310 2.539 1.00 0.00 N ATOM 858 CA SER A 54 9.143 -2.406 1.095 1.00 0.00 C ATOM 859 C SER A 54 10.604 -2.313 0.671 1.00 0.00 C ATOM 860 O SER A 54 11.095 -3.185 -0.043 1.00 0.00 O ATOM 861 CB SER A 54 8.343 -1.295 0.421 1.00 0.00 C ATOM 862 OG SER A 54 8.237 -1.564 -0.961 1.00 0.00 O ATOM 0 H SER A 54 8.490 -1.489 2.862 1.00 0.00 H new ATOM 0 HA SER A 54 8.760 -3.378 0.784 1.00 0.00 H new ATOM 0 HB2 SER A 54 7.350 -1.225 0.866 1.00 0.00 H new ATOM 0 HB3 SER A 54 8.831 -0.333 0.579 1.00 0.00 H new ATOM 0 HG SER A 54 7.485 -1.060 -1.336 1.00 0.00 H new ATOM 868 N ARG A 55 11.308 -1.259 1.103 1.00 0.00 N ATOM 869 CA ARG A 55 12.656 -1.000 0.620 1.00 0.00 C ATOM 870 C ARG A 55 13.703 -1.974 1.163 1.00 0.00 C ATOM 871 O ARG A 55 14.749 -2.151 0.537 1.00 0.00 O ATOM 872 CB ARG A 55 13.005 0.469 0.882 1.00 0.00 C ATOM 873 CG ARG A 55 13.168 0.823 2.362 1.00 0.00 C ATOM 874 CD ARG A 55 14.608 0.607 2.836 1.00 0.00 C ATOM 875 NE ARG A 55 14.746 0.942 4.257 1.00 0.00 N ATOM 876 CZ ARG A 55 15.845 1.465 4.812 1.00 0.00 C ATOM 877 NH1 ARG A 55 16.925 1.734 4.084 1.00 0.00 N ATOM 878 NH2 ARG A 55 15.849 1.719 6.117 1.00 0.00 N ATOM 0 H ARG A 55 10.963 -0.580 1.782 1.00 0.00 H new ATOM 0 HA ARG A 55 12.674 -1.180 -0.455 1.00 0.00 H new ATOM 0 HB2 ARG A 55 13.931 0.709 0.359 1.00 0.00 H new ATOM 0 HB3 ARG A 55 12.224 1.098 0.454 1.00 0.00 H new ATOM 0 HG2 ARG A 55 12.884 1.863 2.522 1.00 0.00 H new ATOM 0 HG3 ARG A 55 12.492 0.212 2.960 1.00 0.00 H new ATOM 0 HD2 ARG A 55 14.897 -0.431 2.673 1.00 0.00 H new ATOM 0 HD3 ARG A 55 15.286 1.223 2.245 1.00 0.00 H new ATOM 0 HE ARG A 55 13.947 0.764 4.866 1.00 0.00 H new ATOM 0 HH11 ARG A 55 16.926 1.542 3.082 1.00 0.00 H new ATOM 0 HH12 ARG A 55 17.753 2.133 4.527 1.00 0.00 H new ATOM 0 HH21 ARG A 55 15.022 1.515 6.679 1.00 0.00 H new ATOM 0 HH22 ARG A 55 16.679 2.118 6.556 1.00 0.00 H new ATOM 892 N LEU A 56 13.443 -2.605 2.312 1.00 0.00 N ATOM 893 CA LEU A 56 14.371 -3.577 2.886 1.00 0.00 C ATOM 894 C LEU A 56 14.208 -4.982 2.303 1.00 0.00 C ATOM 895 O LEU A 56 15.088 -5.820 2.486 1.00 0.00 O ATOM 896 CB LEU A 56 14.159 -3.652 4.397 1.00 0.00 C ATOM 897 CG LEU A 56 14.678 -2.427 5.151 1.00 0.00 C ATOM 898 CD1 LEU A 56 14.428 -2.641 6.642 1.00 0.00 C ATOM 899 CD2 LEU A 56 16.177 -2.218 4.942 1.00 0.00 C ATOM 0 H LEU A 56 12.596 -2.458 2.861 1.00 0.00 H new ATOM 0 HA LEU A 56 15.375 -3.232 2.640 1.00 0.00 H new ATOM 0 HB2 LEU A 56 13.095 -3.769 4.600 1.00 0.00 H new ATOM 0 HB3 LEU A 56 14.657 -4.542 4.781 1.00 0.00 H new ATOM 0 HG LEU A 56 14.156 -1.548 4.772 1.00 0.00 H new ATOM 0 HD11 LEU A 56 14.791 -1.778 7.199 1.00 0.00 H new ATOM 0 HD12 LEU A 56 13.359 -2.763 6.818 1.00 0.00 H new ATOM 0 HD13 LEU A 56 14.955 -3.535 6.975 1.00 0.00 H new ATOM 0 HD21 LEU A 56 16.502 -1.337 5.496 1.00 0.00 H new ATOM 0 HD22 LEU A 56 16.720 -3.093 5.300 1.00 0.00 H new ATOM 0 HD23 LEU A 56 16.380 -2.075 3.881 1.00 0.00 H new ATOM 911 N CYS A 57 13.099 -5.252 1.609 1.00 0.00 N ATOM 912 CA CYS A 57 12.761 -6.602 1.180 1.00 0.00 C ATOM 913 C CYS A 57 12.821 -6.786 -0.341 1.00 0.00 C ATOM 914 O CYS A 57 12.731 -5.814 -1.090 1.00 0.00 O ATOM 915 CB CYS A 57 11.383 -6.942 1.747 1.00 0.00 C ATOM 916 SG CYS A 57 11.482 -6.999 3.553 1.00 0.00 S ATOM 0 H CYS A 57 12.419 -4.544 1.333 1.00 0.00 H new ATOM 0 HA CYS A 57 13.508 -7.295 1.567 1.00 0.00 H new ATOM 0 HB2 CYS A 57 10.653 -6.195 1.434 1.00 0.00 H new ATOM 0 HB3 CYS A 57 11.043 -7.902 1.359 1.00 0.00 H new ATOM 0 HG CYS A 57 10.961 -5.917 4.051 1.00 0.00 H new ATOM 922 N PRO A 58 12.971 -8.040 -0.800 1.00 0.00 N ATOM 923 CA PRO A 58 13.059 -8.413 -2.208 1.00 0.00 C ATOM 924 C PRO A 58 11.762 -8.168 -2.987 1.00 0.00 C ATOM 925 O PRO A 58 10.776 -7.659 -2.455 1.00 0.00 O ATOM 926 CB PRO A 58 13.437 -9.899 -2.201 1.00 0.00 C ATOM 927 CG PRO A 58 12.838 -10.403 -0.891 1.00 0.00 C ATOM 928 CD PRO A 58 13.082 -9.219 0.040 1.00 0.00 C ATOM 0 HA PRO A 58 13.795 -7.795 -2.722 1.00 0.00 H new ATOM 0 HB2 PRO A 58 13.023 -10.424 -3.062 1.00 0.00 H new ATOM 0 HB3 PRO A 58 14.517 -10.040 -2.231 1.00 0.00 H new ATOM 0 HG2 PRO A 58 11.777 -10.634 -0.989 1.00 0.00 H new ATOM 0 HG3 PRO A 58 13.331 -11.309 -0.538 1.00 0.00 H new ATOM 0 HD2 PRO A 58 12.350 -9.197 0.847 1.00 0.00 H new ATOM 0 HD3 PRO A 58 14.067 -9.280 0.504 1.00 0.00 H new ATOM 936 N ASP A 59 11.783 -8.546 -4.271 1.00 0.00 N ATOM 937 CA ASP A 59 10.745 -8.249 -5.249 1.00 0.00 C ATOM 938 C ASP A 59 9.344 -8.703 -4.836 1.00 0.00 C ATOM 939 O ASP A 59 8.371 -7.974 -5.056 1.00 0.00 O ATOM 940 CB ASP A 59 11.140 -8.910 -6.574 1.00 0.00 C ATOM 941 CG ASP A 59 11.345 -10.417 -6.426 1.00 0.00 C ATOM 942 OD1 ASP A 59 12.436 -10.806 -5.953 1.00 0.00 O ATOM 943 OD2 ASP A 59 10.410 -11.161 -6.790 1.00 0.00 O ATOM 0 H ASP A 59 12.553 -9.086 -4.665 1.00 0.00 H new ATOM 0 HA ASP A 59 10.682 -7.165 -5.338 1.00 0.00 H new ATOM 0 HB2 ASP A 59 10.366 -8.721 -7.318 1.00 0.00 H new ATOM 0 HB3 ASP A 59 12.058 -8.455 -6.946 1.00 0.00 H new ATOM 948 N SER A 60 9.223 -9.894 -4.244 1.00 0.00 N ATOM 949 CA SER A 60 7.930 -10.409 -3.817 1.00 0.00 C ATOM 950 C SER A 60 7.304 -9.463 -2.808 1.00 0.00 C ATOM 951 O SER A 60 6.085 -9.326 -2.749 1.00 0.00 O ATOM 952 CB SER A 60 8.110 -11.783 -3.181 1.00 0.00 C ATOM 953 OG SER A 60 9.155 -11.743 -2.229 1.00 0.00 O ATOM 0 H SER A 60 10.008 -10.516 -4.052 1.00 0.00 H new ATOM 0 HA SER A 60 7.276 -10.492 -4.685 1.00 0.00 H new ATOM 0 HB2 SER A 60 7.182 -12.095 -2.702 1.00 0.00 H new ATOM 0 HB3 SER A 60 8.336 -12.522 -3.950 1.00 0.00 H new ATOM 0 HG SER A 60 9.263 -12.629 -1.824 1.00 0.00 H new ATOM 959 N HIS A 61 8.148 -8.807 -2.013 1.00 0.00 N ATOM 960 CA HIS A 61 7.689 -7.899 -0.987 1.00 0.00 C ATOM 961 C HIS A 61 7.530 -6.481 -1.525 1.00 0.00 C ATOM 962 O HIS A 61 6.878 -5.666 -0.877 1.00 0.00 O ATOM 963 CB HIS A 61 8.639 -7.980 0.204 1.00 0.00 C ATOM 964 CG HIS A 61 8.752 -9.383 0.739 1.00 0.00 C ATOM 965 ND1 HIS A 61 9.945 -10.022 1.086 1.00 0.00 N ATOM 966 CD2 HIS A 61 7.708 -10.233 0.963 1.00 0.00 C ATOM 967 CE1 HIS A 61 9.590 -11.246 1.506 1.00 0.00 C ATOM 968 NE2 HIS A 61 8.253 -11.400 1.442 1.00 0.00 N ATOM 0 H HIS A 61 9.163 -8.896 -2.069 1.00 0.00 H new ATOM 0 HA HIS A 61 6.695 -8.194 -0.651 1.00 0.00 H new ATOM 0 HB2 HIS A 61 9.625 -7.625 -0.094 1.00 0.00 H new ATOM 0 HB3 HIS A 61 8.287 -7.317 0.995 1.00 0.00 H new ATOM 0 HD2 HIS A 61 6.661 -10.029 0.797 1.00 0.00 H new ATOM 0 HE1 HIS A 61 10.280 -12.003 1.848 1.00 0.00 H new ATOM 0 HE2 HIS A 61 7.735 -12.238 1.704 1.00 0.00 H new ATOM 976 N LYS A 62 8.106 -6.161 -2.691 1.00 0.00 N ATOM 977 CA LYS A 62 7.813 -4.894 -3.344 1.00 0.00 C ATOM 978 C LYS A 62 6.371 -4.947 -3.826 1.00 0.00 C ATOM 979 O LYS A 62 5.615 -4.000 -3.621 1.00 0.00 O ATOM 980 CB LYS A 62 8.772 -4.663 -4.516 1.00 0.00 C ATOM 981 CG LYS A 62 10.231 -4.506 -4.080 1.00 0.00 C ATOM 982 CD LYS A 62 10.450 -3.210 -3.295 1.00 0.00 C ATOM 983 CE LYS A 62 11.911 -3.083 -2.849 1.00 0.00 C ATOM 984 NZ LYS A 62 12.835 -2.995 -3.996 1.00 0.00 N ATOM 0 H LYS A 62 8.767 -6.757 -3.190 1.00 0.00 H new ATOM 0 HA LYS A 62 7.945 -4.065 -2.649 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.695 -5.500 -5.210 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.464 -3.769 -5.059 1.00 0.00 H new ATOM 0 HG2 LYS A 62 10.521 -5.358 -3.465 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.876 -4.513 -4.958 1.00 0.00 H new ATOM 0 HD2 LYS A 62 10.178 -2.355 -3.914 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.796 -3.193 -2.423 1.00 0.00 H new ATOM 0 HE2 LYS A 62 12.023 -2.197 -2.225 1.00 0.00 H new ATOM 0 HE3 LYS A 62 12.178 -3.942 -2.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 13.773 -2.692 -3.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 12.913 -3.927 -4.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 12.471 -2.304 -4.683 1.00 0.00 H new ATOM 998 N LEU A 63 5.988 -6.058 -4.467 1.00 0.00 N ATOM 999 CA LEU A 63 4.613 -6.225 -4.919 1.00 0.00 C ATOM 1000 C LEU A 63 3.674 -6.328 -3.718 1.00 0.00 C ATOM 1001 O LEU A 63 2.629 -5.676 -3.676 1.00 0.00 O ATOM 1002 CB LEU A 63 4.526 -7.476 -5.799 1.00 0.00 C ATOM 1003 CG LEU A 63 3.102 -7.721 -6.316 1.00 0.00 C ATOM 1004 CD1 LEU A 63 2.629 -6.566 -7.199 1.00 0.00 C ATOM 1005 CD2 LEU A 63 3.081 -9.004 -7.143 1.00 0.00 C ATOM 0 H LEU A 63 6.606 -6.841 -4.679 1.00 0.00 H new ATOM 0 HA LEU A 63 4.306 -5.359 -5.506 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.205 -7.371 -6.645 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.858 -8.343 -5.229 1.00 0.00 H new ATOM 0 HG LEU A 63 2.437 -7.803 -5.456 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.617 -6.768 -7.551 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.635 -5.641 -6.622 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.297 -6.465 -8.054 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.071 -9.182 -7.512 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.764 -8.904 -7.987 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.393 -9.843 -6.521 1.00 0.00 H new ATOM 1017 N GLY A 64 4.050 -7.152 -2.735 1.00 0.00 N ATOM 1018 CA GLY A 64 3.249 -7.330 -1.536 1.00 0.00 C ATOM 1019 C GLY A 64 3.056 -6.003 -0.816 1.00 0.00 C ATOM 1020 O GLY A 64 1.949 -5.697 -0.377 1.00 0.00 O ATOM 0 H GLY A 64 4.907 -7.704 -2.753 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.279 -7.751 -1.800 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.735 -8.043 -0.870 1.00 0.00 H new ATOM 1024 N SER A 65 4.126 -5.210 -0.686 1.00 0.00 N ATOM 1025 CA SER A 65 4.013 -3.936 -0.007 1.00 0.00 C ATOM 1026 C SER A 65 3.121 -2.991 -0.799 1.00 0.00 C ATOM 1027 O SER A 65 2.350 -2.253 -0.195 1.00 0.00 O ATOM 1028 CB SER A 65 5.381 -3.317 0.240 1.00 0.00 C ATOM 1029 OG SER A 65 5.200 -2.199 1.082 1.00 0.00 O ATOM 0 H SER A 65 5.058 -5.431 -1.038 1.00 0.00 H new ATOM 0 HA SER A 65 3.553 -4.110 0.966 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.050 -4.041 0.704 1.00 0.00 H new ATOM 0 HB3 SER A 65 5.840 -3.016 -0.702 1.00 0.00 H new ATOM 0 HG SER A 65 4.949 -2.503 1.979 1.00 0.00 H new ATOM 1035 N LEU A 66 3.198 -2.989 -2.132 1.00 0.00 N ATOM 1036 CA LEU A 66 2.283 -2.164 -2.903 1.00 0.00 C ATOM 1037 C LEU A 66 0.834 -2.543 -2.607 1.00 0.00 C ATOM 1038 O LEU A 66 -0.002 -1.652 -2.503 1.00 0.00 O ATOM 1039 CB LEU A 66 2.562 -2.281 -4.403 1.00 0.00 C ATOM 1040 CG LEU A 66 3.788 -1.482 -4.859 1.00 0.00 C ATOM 1041 CD1 LEU A 66 3.894 -1.602 -6.377 1.00 0.00 C ATOM 1042 CD2 LEU A 66 3.678 0.003 -4.509 1.00 0.00 C ATOM 0 H LEU A 66 3.864 -3.533 -2.680 1.00 0.00 H new ATOM 0 HA LEU A 66 2.442 -1.127 -2.606 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.707 -3.331 -4.657 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.688 -1.937 -4.955 1.00 0.00 H new ATOM 0 HG LEU A 66 4.662 -1.886 -4.349 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.760 -1.041 -6.727 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.006 -2.651 -6.652 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.991 -1.200 -6.838 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.571 0.525 -4.853 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.800 0.427 -4.995 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.585 0.116 -3.429 1.00 0.00 H new ATOM 1054 N TYR A 67 0.514 -3.834 -2.468 1.00 0.00 N ATOM 1055 CA TYR A 67 -0.855 -4.230 -2.146 1.00 0.00 C ATOM 1056 C TYR A 67 -1.237 -3.822 -0.717 1.00 0.00 C ATOM 1057 O TYR A 67 -2.399 -3.508 -0.446 1.00 0.00 O ATOM 1058 CB TYR A 67 -1.041 -5.732 -2.371 1.00 0.00 C ATOM 1059 CG TYR A 67 -1.342 -6.117 -3.809 1.00 0.00 C ATOM 1060 CD1 TYR A 67 -0.585 -5.577 -4.862 1.00 0.00 C ATOM 1061 CD2 TYR A 67 -2.386 -7.015 -4.093 1.00 0.00 C ATOM 1062 CE1 TYR A 67 -0.881 -5.912 -6.191 1.00 0.00 C ATOM 1063 CE2 TYR A 67 -2.686 -7.355 -5.420 1.00 0.00 C ATOM 1064 CZ TYR A 67 -1.937 -6.800 -6.475 1.00 0.00 C ATOM 1065 OH TYR A 67 -2.233 -7.123 -7.767 1.00 0.00 O ATOM 0 H TYR A 67 1.172 -4.607 -2.572 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.530 -3.700 -2.818 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.137 -6.250 -2.050 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.853 -6.085 -1.735 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.229 -4.901 -4.647 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.960 -7.445 -3.285 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.299 -5.489 -6.997 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -3.491 -8.042 -5.633 1.00 0.00 H new ATOM 0 HH TYR A 67 -2.988 -7.748 -7.783 1.00 0.00 H new ATOM 1075 N ILE A 68 -0.275 -3.818 0.211 1.00 0.00 N ATOM 1076 CA ILE A 68 -0.526 -3.387 1.583 1.00 0.00 C ATOM 1077 C ILE A 68 -0.731 -1.871 1.633 1.00 0.00 C ATOM 1078 O ILE A 68 -1.684 -1.392 2.246 1.00 0.00 O ATOM 1079 CB ILE A 68 0.645 -3.839 2.465 1.00 0.00 C ATOM 1080 CG1 ILE A 68 0.643 -5.371 2.537 1.00 0.00 C ATOM 1081 CG2 ILE A 68 0.523 -3.254 3.876 1.00 0.00 C ATOM 1082 CD1 ILE A 68 1.992 -5.920 3.000 1.00 0.00 C ATOM 0 H ILE A 68 0.686 -4.110 0.033 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.440 -3.844 1.962 1.00 0.00 H new ATOM 0 HB ILE A 68 1.579 -3.482 2.030 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.138 -5.702 3.222 1.00 0.00 H new ATOM 0 HG13 ILE A 68 0.401 -5.781 1.556 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.365 -3.589 4.483 1.00 0.00 H new ATOM 0 HG22 ILE A 68 0.526 -2.165 3.820 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -0.409 -3.591 4.330 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.948 -7.008 3.038 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.770 -5.612 2.301 1.00 0.00 H new ATOM 0 HD13 ILE A 68 2.222 -5.532 3.992 1.00 0.00 H new ATOM 1094 N ILE A 69 0.166 -1.116 0.991 1.00 0.00 N ATOM 1095 CA ILE A 69 0.084 0.333 0.881 1.00 0.00 C ATOM 1096 C ILE A 69 -1.217 0.713 0.179 1.00 0.00 C ATOM 1097 O ILE A 69 -1.838 1.719 0.509 1.00 0.00 O ATOM 1098 CB ILE A 69 1.293 0.832 0.073 1.00 0.00 C ATOM 1099 CG1 ILE A 69 2.585 0.623 0.868 1.00 0.00 C ATOM 1100 CG2 ILE A 69 1.136 2.319 -0.266 1.00 0.00 C ATOM 1101 CD1 ILE A 69 3.811 0.717 -0.042 1.00 0.00 C ATOM 0 H ILE A 69 0.984 -1.509 0.526 1.00 0.00 H new ATOM 0 HA ILE A 69 0.094 0.792 1.870 1.00 0.00 H new ATOM 0 HB ILE A 69 1.344 0.260 -0.853 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.655 1.372 1.657 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.563 -0.352 1.355 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.001 2.655 -0.838 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.232 2.464 -0.857 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.064 2.897 0.656 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.715 0.565 0.548 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.750 -0.049 -0.815 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.844 1.702 -0.508 1.00 0.00 H new ATOM 1113 N ASP A 70 -1.627 -0.102 -0.797 1.00 0.00 N ATOM 1114 CA ASP A 70 -2.857 0.092 -1.541 1.00 0.00 C ATOM 1115 C ASP A 70 -4.063 -0.042 -0.623 1.00 0.00 C ATOM 1116 O ASP A 70 -4.908 0.849 -0.596 1.00 0.00 O ATOM 1117 CB ASP A 70 -2.874 -0.917 -2.692 1.00 0.00 C ATOM 1118 CG ASP A 70 -4.169 -0.894 -3.482 1.00 0.00 C ATOM 1119 OD1 ASP A 70 -4.344 0.060 -4.274 1.00 0.00 O ATOM 1120 OD2 ASP A 70 -4.972 -1.831 -3.285 1.00 0.00 O ATOM 0 H ASP A 70 -1.100 -0.925 -1.090 1.00 0.00 H new ATOM 0 HA ASP A 70 -2.908 1.098 -1.957 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -2.041 -0.708 -3.364 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -2.717 -1.919 -2.292 1.00 0.00 H new ATOM 1125 N SER A 71 -4.169 -1.135 0.135 1.00 0.00 N ATOM 1126 CA SER A 71 -5.352 -1.304 0.959 1.00 0.00 C ATOM 1127 C SER A 71 -5.432 -0.256 2.061 1.00 0.00 C ATOM 1128 O SER A 71 -6.464 0.392 2.223 1.00 0.00 O ATOM 1129 CB SER A 71 -5.410 -2.713 1.543 1.00 0.00 C ATOM 1130 OG SER A 71 -6.724 -2.936 2.018 1.00 0.00 O ATOM 0 H SER A 71 -3.479 -1.884 0.192 1.00 0.00 H new ATOM 0 HA SER A 71 -6.219 -1.162 0.314 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.149 -3.451 0.784 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.689 -2.820 2.353 1.00 0.00 H new ATOM 0 HG SER A 71 -7.369 -2.695 1.321 1.00 0.00 H new ATOM 1136 N ILE A 72 -4.351 -0.080 2.826 1.00 0.00 N ATOM 1137 CA ILE A 72 -4.339 0.884 3.916 1.00 0.00 C ATOM 1138 C ILE A 72 -4.477 2.304 3.369 1.00 0.00 C ATOM 1139 O ILE A 72 -5.140 3.136 3.979 1.00 0.00 O ATOM 1140 CB ILE A 72 -3.058 0.708 4.746 1.00 0.00 C ATOM 1141 CG1 ILE A 72 -2.969 -0.737 5.254 1.00 0.00 C ATOM 1142 CG2 ILE A 72 -3.056 1.664 5.941 1.00 0.00 C ATOM 1143 CD1 ILE A 72 -1.731 -0.986 6.116 1.00 0.00 C ATOM 0 H ILE A 72 -3.478 -0.594 2.707 1.00 0.00 H new ATOM 0 HA ILE A 72 -5.191 0.707 4.573 1.00 0.00 H new ATOM 0 HB ILE A 72 -2.200 0.932 4.112 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -3.862 -0.969 5.833 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.956 -1.417 4.402 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.141 1.525 6.517 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -3.107 2.693 5.584 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -3.918 1.457 6.574 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.721 -2.024 6.447 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.834 -0.783 5.531 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.754 -0.328 6.985 1.00 0.00 H new ATOM 1155 N GLY A 73 -3.857 2.592 2.219 1.00 0.00 N ATOM 1156 CA GLY A 73 -3.890 3.918 1.617 1.00 0.00 C ATOM 1157 C GLY A 73 -5.286 4.288 1.130 1.00 0.00 C ATOM 1158 O GLY A 73 -5.770 5.380 1.420 1.00 0.00 O ATOM 0 H GLY A 73 -3.320 1.909 1.684 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -3.553 4.656 2.345 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.192 3.954 0.780 1.00 0.00 H new ATOM 1162 N ARG A 74 -5.943 3.391 0.389 1.00 0.00 N ATOM 1163 CA ARG A 74 -7.290 3.631 -0.117 1.00 0.00 C ATOM 1164 C ARG A 74 -8.296 3.675 1.028 1.00 0.00 C ATOM 1165 O ARG A 74 -9.257 4.441 0.973 1.00 0.00 O ATOM 1166 CB ARG A 74 -7.640 2.529 -1.117 1.00 0.00 C ATOM 1167 CG ARG A 74 -7.106 2.892 -2.502 1.00 0.00 C ATOM 1168 CD ARG A 74 -6.551 1.666 -3.223 1.00 0.00 C ATOM 1169 NE ARG A 74 -7.557 0.679 -3.629 1.00 0.00 N ATOM 1170 CZ ARG A 74 -7.752 -0.453 -2.953 1.00 0.00 C ATOM 1171 NH1 ARG A 74 -7.142 -0.665 -1.795 1.00 0.00 N ATOM 1172 NH2 ARG A 74 -8.560 -1.390 -3.430 1.00 0.00 N ATOM 0 H ARG A 74 -5.556 2.485 0.126 1.00 0.00 H new ATOM 0 HA ARG A 74 -7.329 4.598 -0.618 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -7.213 1.581 -0.790 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -8.721 2.394 -1.159 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -7.904 3.336 -3.097 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -6.324 3.645 -2.406 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -6.011 1.998 -4.110 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -5.826 1.177 -2.572 1.00 0.00 H new ATOM 0 HE ARG A 74 -8.126 0.865 -4.455 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -6.515 0.042 -1.412 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -7.300 -1.536 -1.287 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -9.037 -1.247 -4.320 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -8.704 -2.254 -2.907 1.00 0.00 H new ATOM 1186 N ALA A 75 -8.081 2.861 2.061 1.00 0.00 N ATOM 1187 CA ALA A 75 -8.955 2.868 3.221 1.00 0.00 C ATOM 1188 C ALA A 75 -8.808 4.189 3.977 1.00 0.00 C ATOM 1189 O ALA A 75 -9.805 4.768 4.405 1.00 0.00 O ATOM 1190 CB ALA A 75 -8.614 1.669 4.102 1.00 0.00 C ATOM 0 H ALA A 75 -7.312 2.193 2.113 1.00 0.00 H new ATOM 0 HA ALA A 75 -9.997 2.785 2.912 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -9.264 1.664 4.977 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.759 0.749 3.536 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.575 1.737 4.423 1.00 0.00 H new ATOM 1196 N TYR A 76 -7.571 4.671 4.145 1.00 0.00 N ATOM 1197 CA TYR A 76 -7.326 5.951 4.793 1.00 0.00 C ATOM 1198 C TYR A 76 -7.966 7.068 3.983 1.00 0.00 C ATOM 1199 O TYR A 76 -8.639 7.923 4.555 1.00 0.00 O ATOM 1200 CB TYR A 76 -5.822 6.217 4.908 1.00 0.00 C ATOM 1201 CG TYR A 76 -5.078 5.448 5.979 1.00 0.00 C ATOM 1202 CD1 TYR A 76 -5.650 4.339 6.617 1.00 0.00 C ATOM 1203 CD2 TYR A 76 -3.785 5.867 6.328 1.00 0.00 C ATOM 1204 CE1 TYR A 76 -4.938 3.652 7.611 1.00 0.00 C ATOM 1205 CE2 TYR A 76 -3.072 5.190 7.328 1.00 0.00 C ATOM 1206 CZ TYR A 76 -3.651 4.088 7.980 1.00 0.00 C ATOM 1207 OH TYR A 76 -2.962 3.444 8.963 1.00 0.00 O ATOM 0 H TYR A 76 -6.727 4.188 3.838 1.00 0.00 H new ATOM 0 HA TYR A 76 -7.761 5.919 5.792 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -5.362 5.993 3.946 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -5.677 7.282 5.090 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -6.642 4.012 6.342 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -3.338 6.712 5.826 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -5.376 2.790 8.092 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -2.078 5.516 7.597 1.00 0.00 H new ATOM 0 HH TYR A 76 -2.091 3.876 9.089 1.00 0.00 H new ATOM 1217 N LEU A 77 -7.756 7.057 2.665 1.00 0.00 N ATOM 1218 CA LEU A 77 -8.263 8.090 1.780 1.00 0.00 C ATOM 1219 C LEU A 77 -9.783 8.177 1.879 1.00 0.00 C ATOM 1220 O LEU A 77 -10.333 9.273 1.967 1.00 0.00 O ATOM 1221 CB LEU A 77 -7.821 7.762 0.352 1.00 0.00 C ATOM 1222 CG LEU A 77 -8.293 8.813 -0.660 1.00 0.00 C ATOM 1223 CD1 LEU A 77 -7.733 10.199 -0.331 1.00 0.00 C ATOM 1224 CD2 LEU A 77 -7.823 8.414 -2.056 1.00 0.00 C ATOM 0 H LEU A 77 -7.228 6.327 2.187 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.862 9.062 2.069 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -6.734 7.691 0.318 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -8.213 6.786 0.068 1.00 0.00 H new ATOM 0 HG LEU A 77 -9.381 8.859 -0.616 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -8.088 10.919 -1.068 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.068 10.501 0.661 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.644 10.166 -0.351 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -8.156 9.159 -2.779 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.735 8.356 -2.071 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.242 7.442 -2.317 1.00 0.00 H new ATOM 1236 N ASP A 78 -10.466 7.029 1.866 1.00 0.00 N ATOM 1237 CA ASP A 78 -11.918 7.006 1.945 1.00 0.00 C ATOM 1238 C ASP A 78 -12.397 7.524 3.297 1.00 0.00 C ATOM 1239 O ASP A 78 -13.310 8.346 3.358 1.00 0.00 O ATOM 1240 CB ASP A 78 -12.412 5.577 1.738 1.00 0.00 C ATOM 1241 CG ASP A 78 -13.934 5.535 1.634 1.00 0.00 C ATOM 1242 OD1 ASP A 78 -14.453 5.995 0.593 1.00 0.00 O ATOM 1243 OD2 ASP A 78 -14.564 5.043 2.596 1.00 0.00 O ATOM 0 H ASP A 78 -10.032 6.108 1.801 1.00 0.00 H new ATOM 0 HA ASP A 78 -12.321 7.655 1.167 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -11.970 5.163 0.831 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -12.083 4.951 2.567 1.00 0.00 H new ATOM 1248 N GLU A 79 -11.784 7.050 4.386 1.00 0.00 N ATOM 1249 CA GLU A 79 -12.254 7.398 5.717 1.00 0.00 C ATOM 1250 C GLU A 79 -11.990 8.864 6.057 1.00 0.00 C ATOM 1251 O GLU A 79 -12.762 9.459 6.808 1.00 0.00 O ATOM 1252 CB GLU A 79 -11.613 6.471 6.751 1.00 0.00 C ATOM 1253 CG GLU A 79 -12.227 5.073 6.639 1.00 0.00 C ATOM 1254 CD GLU A 79 -11.646 4.097 7.661 1.00 0.00 C ATOM 1255 OE1 GLU A 79 -10.987 4.566 8.616 1.00 0.00 O ATOM 1256 OE2 GLU A 79 -11.869 2.881 7.479 1.00 0.00 O ATOM 0 H GLU A 79 -10.972 6.433 4.367 1.00 0.00 H new ATOM 0 HA GLU A 79 -13.335 7.263 5.737 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.536 6.420 6.590 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -11.767 6.867 7.755 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -13.306 5.141 6.778 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -12.059 4.685 5.634 1.00 0.00 H new ATOM 1263 N THR A 80 -10.920 9.462 5.524 1.00 0.00 N ATOM 1264 CA THR A 80 -10.633 10.866 5.800 1.00 0.00 C ATOM 1265 C THR A 80 -11.372 11.787 4.829 1.00 0.00 C ATOM 1266 O THR A 80 -11.661 12.935 5.166 1.00 0.00 O ATOM 1267 CB THR A 80 -9.121 11.110 5.839 1.00 0.00 C ATOM 1268 OG1 THR A 80 -8.865 12.381 6.399 1.00 0.00 O ATOM 1269 CG2 THR A 80 -8.468 11.061 4.460 1.00 0.00 C ATOM 0 H THR A 80 -10.250 9.001 4.909 1.00 0.00 H new ATOM 0 HA THR A 80 -11.014 11.114 6.791 1.00 0.00 H new ATOM 0 HB THR A 80 -8.693 10.308 6.441 1.00 0.00 H new ATOM 0 HG1 THR A 80 -8.039 12.746 6.019 1.00 0.00 H new ATOM 0 HG21 THR A 80 -7.398 11.242 4.558 1.00 0.00 H new ATOM 0 HG22 THR A 80 -8.631 10.080 4.015 1.00 0.00 H new ATOM 0 HG23 THR A 80 -8.908 11.827 3.822 1.00 0.00 H new ATOM 1277 N ARG A 81 -11.684 11.298 3.624 1.00 0.00 N ATOM 1278 CA ARG A 81 -12.495 12.044 2.670 1.00 0.00 C ATOM 1279 C ARG A 81 -13.958 12.059 3.114 1.00 0.00 C ATOM 1280 O ARG A 81 -14.676 13.020 2.844 1.00 0.00 O ATOM 1281 CB ARG A 81 -12.340 11.407 1.286 1.00 0.00 C ATOM 1282 CG ARG A 81 -13.137 12.160 0.221 1.00 0.00 C ATOM 1283 CD ARG A 81 -12.943 11.481 -1.135 1.00 0.00 C ATOM 1284 NE ARG A 81 -13.710 12.165 -2.183 1.00 0.00 N ATOM 1285 CZ ARG A 81 -13.886 11.683 -3.417 1.00 0.00 C ATOM 1286 NH1 ARG A 81 -13.356 10.514 -3.776 1.00 0.00 N ATOM 1287 NH2 ARG A 81 -14.600 12.375 -4.305 1.00 0.00 N ATOM 0 H ARG A 81 -11.383 10.383 3.290 1.00 0.00 H new ATOM 0 HA ARG A 81 -12.158 13.079 2.624 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -11.286 11.393 1.009 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -12.674 10.370 1.324 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -14.194 12.174 0.485 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -12.807 13.198 0.171 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -11.885 11.480 -1.397 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -13.257 10.439 -1.072 1.00 0.00 H new ATOM 0 HE ARG A 81 -14.135 13.064 -1.955 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -12.808 9.975 -3.105 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -13.498 10.158 -4.721 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -15.011 13.271 -4.042 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -14.735 12.009 -5.247 1.00 0.00 H new ATOM 1441 N THR A 93 -2.842 11.998 11.842 1.00 0.00 N ATOM 1442 CA THR A 93 -3.491 10.700 11.674 1.00 0.00 C ATOM 1443 C THR A 93 -3.401 10.179 10.236 1.00 0.00 C ATOM 1444 O THR A 93 -2.457 10.509 9.524 1.00 0.00 O ATOM 1445 CB THR A 93 -4.922 10.744 12.231 1.00 0.00 C ATOM 1446 OG1 THR A 93 -5.270 12.013 12.744 1.00 0.00 O ATOM 1447 CG2 THR A 93 -4.985 9.734 13.376 1.00 0.00 C ATOM 0 HA THR A 93 -2.944 9.963 12.262 1.00 0.00 H new ATOM 0 HB THR A 93 -5.617 10.519 11.422 1.00 0.00 H new ATOM 0 HG1 THR A 93 -4.515 12.628 12.635 1.00 0.00 H new ATOM 0 HG21 THR A 93 -5.988 9.731 13.804 1.00 0.00 H new ATOM 0 HG22 THR A 93 -4.749 8.740 12.997 1.00 0.00 H new ATOM 0 HG23 THR A 93 -4.263 10.010 14.145 1.00 0.00 H new ATOM 1455 N CYS A 94 -4.368 9.368 9.793 1.00 0.00 N ATOM 1456 CA CYS A 94 -4.358 8.766 8.464 1.00 0.00 C ATOM 1457 C CYS A 94 -4.110 9.771 7.331 1.00 0.00 C ATOM 1458 O CYS A 94 -3.540 9.406 6.303 1.00 0.00 O ATOM 1459 CB CYS A 94 -5.685 8.036 8.252 1.00 0.00 C ATOM 1460 SG CYS A 94 -7.079 9.182 8.418 1.00 0.00 S ATOM 0 H CYS A 94 -5.182 9.112 10.352 1.00 0.00 H new ATOM 0 HA CYS A 94 -3.519 8.071 8.424 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -5.700 7.578 7.263 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -5.782 7.229 8.979 1.00 0.00 H new ATOM 0 HG CYS A 94 -8.194 8.539 8.232 1.00 0.00 H new ATOM 1466 N ALA A 95 -4.524 11.032 7.485 1.00 0.00 N ATOM 1467 CA ALA A 95 -4.250 12.041 6.474 1.00 0.00 C ATOM 1468 C ALA A 95 -2.741 12.286 6.368 1.00 0.00 C ATOM 1469 O ALA A 95 -2.203 12.426 5.268 1.00 0.00 O ATOM 1470 CB ALA A 95 -5.001 13.319 6.844 1.00 0.00 C ATOM 0 H ALA A 95 -5.045 11.370 8.294 1.00 0.00 H new ATOM 0 HA ALA A 95 -4.593 11.700 5.497 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -4.805 14.086 6.095 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -6.071 13.114 6.883 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -4.663 13.670 7.819 1.00 0.00 H new ATOM 1476 N HIS A 96 -2.058 12.337 7.515 1.00 0.00 N ATOM 1477 CA HIS A 96 -0.614 12.515 7.566 1.00 0.00 C ATOM 1478 C HIS A 96 0.088 11.307 6.970 1.00 0.00 C ATOM 1479 O HIS A 96 1.133 11.429 6.336 1.00 0.00 O ATOM 1480 CB HIS A 96 -0.192 12.636 9.027 1.00 0.00 C ATOM 1481 CG HIS A 96 1.201 13.185 9.196 1.00 0.00 C ATOM 1482 ND1 HIS A 96 2.315 12.457 9.624 1.00 0.00 N ATOM 1483 CD2 HIS A 96 1.575 14.476 8.951 1.00 0.00 C ATOM 1484 CE1 HIS A 96 3.334 13.330 9.619 1.00 0.00 C ATOM 1485 NE2 HIS A 96 2.920 14.547 9.226 1.00 0.00 N ATOM 0 H HIS A 96 -2.496 12.255 8.432 1.00 0.00 H new ATOM 0 HA HIS A 96 -0.344 13.408 7.001 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -0.897 13.282 9.550 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -0.249 11.655 9.498 1.00 0.00 H new ATOM 0 HD2 HIS A 96 0.940 15.280 8.609 1.00 0.00 H new ATOM 0 HE1 HIS A 96 4.350 13.088 9.894 1.00 0.00 H new ATOM 0 HE2 HIS A 96 3.503 15.380 9.146 1.00 0.00 H new ATOM 1493 N ALA A 97 -0.506 10.133 7.180 1.00 0.00 N ATOM 1494 CA ALA A 97 0.013 8.884 6.671 1.00 0.00 C ATOM 1495 C ALA A 97 0.015 8.875 5.146 1.00 0.00 C ATOM 1496 O ALA A 97 1.003 8.470 4.534 1.00 0.00 O ATOM 1497 CB ALA A 97 -0.851 7.766 7.233 1.00 0.00 C ATOM 0 H ALA A 97 -1.369 10.031 7.714 1.00 0.00 H new ATOM 0 HA ALA A 97 1.049 8.746 6.982 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -0.486 6.806 6.868 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -0.804 7.782 8.322 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.883 7.908 6.913 1.00 0.00 H new ATOM 1503 N ILE A 98 -1.080 9.320 4.522 1.00 0.00 N ATOM 1504 CA ILE A 98 -1.117 9.437 3.073 1.00 0.00 C ATOM 1505 C ILE A 98 -0.084 10.469 2.625 1.00 0.00 C ATOM 1506 O ILE A 98 0.633 10.253 1.648 1.00 0.00 O ATOM 1507 CB ILE A 98 -2.526 9.829 2.614 1.00 0.00 C ATOM 1508 CG1 ILE A 98 -3.520 8.725 2.989 1.00 0.00 C ATOM 1509 CG2 ILE A 98 -2.532 10.041 1.095 1.00 0.00 C ATOM 1510 CD1 ILE A 98 -4.959 9.167 2.741 1.00 0.00 C ATOM 0 H ILE A 98 -1.939 9.600 4.996 1.00 0.00 H new ATOM 0 HA ILE A 98 -0.872 8.477 2.618 1.00 0.00 H new ATOM 0 HB ILE A 98 -2.821 10.755 3.107 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -3.307 7.828 2.407 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -3.394 8.461 4.039 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -3.535 10.320 0.770 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -1.833 10.836 0.836 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -2.233 9.118 0.598 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -5.640 8.362 3.017 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -5.178 10.049 3.343 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -5.089 9.407 1.686 1.00 0.00 H new ATOM 1522 N ASN A 99 -0.001 11.597 3.339 1.00 0.00 N ATOM 1523 CA ASN A 99 0.952 12.644 3.009 1.00 0.00 C ATOM 1524 C ASN A 99 2.389 12.122 3.101 1.00 0.00 C ATOM 1525 O ASN A 99 3.254 12.557 2.343 1.00 0.00 O ATOM 1526 CB ASN A 99 0.725 13.816 3.969 1.00 0.00 C ATOM 1527 CG ASN A 99 1.449 15.085 3.535 1.00 0.00 C ATOM 1528 OD1 ASN A 99 1.933 15.191 2.410 1.00 0.00 O ATOM 1529 ND2 ASN A 99 1.528 16.062 4.432 1.00 0.00 N ATOM 0 H ASN A 99 -0.586 11.801 4.149 1.00 0.00 H new ATOM 0 HA ASN A 99 0.801 12.977 1.982 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -0.343 14.019 4.040 1.00 0.00 H new ATOM 0 HB3 ASN A 99 1.063 13.533 4.966 1.00 0.00 H new ATOM 0 HD21 ASN A 99 2.002 16.934 4.196 1.00 0.00 H new ATOM 0 HD22 ASN A 99 1.115 15.940 5.357 1.00 0.00 H new ATOM 1536 N THR A 100 2.651 11.194 4.027 1.00 0.00 N ATOM 1537 CA THR A 100 3.979 10.628 4.212 1.00 0.00 C ATOM 1538 C THR A 100 4.311 9.627 3.108 1.00 0.00 C ATOM 1539 O THR A 100 5.433 9.617 2.611 1.00 0.00 O ATOM 1540 CB THR A 100 4.094 9.982 5.592 1.00 0.00 C ATOM 1541 OG1 THR A 100 3.829 10.942 6.592 1.00 0.00 O ATOM 1542 CG2 THR A 100 5.508 9.450 5.799 1.00 0.00 C ATOM 0 H THR A 100 1.948 10.819 4.664 1.00 0.00 H new ATOM 0 HA THR A 100 4.706 11.437 4.150 1.00 0.00 H new ATOM 0 HB THR A 100 3.375 9.165 5.656 1.00 0.00 H new ATOM 0 HG1 THR A 100 2.878 11.180 6.573 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.583 8.991 6.785 1.00 0.00 H new ATOM 0 HG22 THR A 100 5.733 8.707 5.034 1.00 0.00 H new ATOM 0 HG23 THR A 100 6.220 10.272 5.726 1.00 0.00 H new ATOM 1550 N LEU A 101 3.360 8.778 2.703 1.00 0.00 N ATOM 1551 CA LEU A 101 3.604 7.892 1.572 1.00 0.00 C ATOM 1552 C LEU A 101 3.855 8.742 0.326 1.00 0.00 C ATOM 1553 O LEU A 101 4.591 8.335 -0.570 1.00 0.00 O ATOM 1554 CB LEU A 101 2.397 6.987 1.332 1.00 0.00 C ATOM 1555 CG LEU A 101 2.226 5.892 2.387 1.00 0.00 C ATOM 1556 CD1 LEU A 101 0.813 5.328 2.263 1.00 0.00 C ATOM 1557 CD2 LEU A 101 3.230 4.766 2.138 1.00 0.00 C ATOM 0 H LEU A 101 2.439 8.690 3.132 1.00 0.00 H new ATOM 0 HA LEU A 101 4.471 7.267 1.786 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.495 7.599 1.308 1.00 0.00 H new ATOM 0 HB3 LEU A 101 2.493 6.522 0.351 1.00 0.00 H new ATOM 0 HG LEU A 101 2.393 6.307 3.381 1.00 0.00 H new ATOM 0 HD11 LEU A 101 0.668 4.544 3.006 1.00 0.00 H new ATOM 0 HD12 LEU A 101 0.088 6.124 2.429 1.00 0.00 H new ATOM 0 HD13 LEU A 101 0.674 4.912 1.265 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.102 3.991 2.893 1.00 0.00 H new ATOM 0 HD22 LEU A 101 3.062 4.340 1.149 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.244 5.163 2.194 1.00 0.00 H new ATOM 1569 N GLY A 102 3.240 9.929 0.270 1.00 0.00 N ATOM 1570 CA GLY A 102 3.399 10.863 -0.832 1.00 0.00 C ATOM 1571 C GLY A 102 4.846 11.307 -1.057 1.00 0.00 C ATOM 1572 O GLY A 102 5.144 11.869 -2.110 1.00 0.00 O ATOM 0 H GLY A 102 2.612 10.264 1.001 1.00 0.00 H new ATOM 0 HA2 GLY A 102 3.024 10.401 -1.745 1.00 0.00 H new ATOM 0 HA3 GLY A 102 2.783 11.742 -0.643 1.00 0.00 H new ATOM 1576 N GLU A 103 5.752 11.068 -0.099 1.00 0.00 N ATOM 1577 CA GLU A 103 7.144 11.477 -0.247 1.00 0.00 C ATOM 1578 C GLU A 103 8.053 10.304 -0.627 1.00 0.00 C ATOM 1579 O GLU A 103 9.246 10.503 -0.855 1.00 0.00 O ATOM 1580 CB GLU A 103 7.616 12.220 1.007 1.00 0.00 C ATOM 1581 CG GLU A 103 8.249 11.304 2.059 1.00 0.00 C ATOM 1582 CD GLU A 103 8.611 12.091 3.316 1.00 0.00 C ATOM 1583 OE1 GLU A 103 7.709 12.284 4.158 1.00 0.00 O ATOM 1584 OE2 GLU A 103 9.791 12.495 3.425 1.00 0.00 O ATOM 0 H GLU A 103 5.542 10.596 0.780 1.00 0.00 H new ATOM 0 HA GLU A 103 7.210 12.174 -1.082 1.00 0.00 H new ATOM 0 HB2 GLU A 103 8.340 12.982 0.717 1.00 0.00 H new ATOM 0 HB3 GLU A 103 6.768 12.740 1.453 1.00 0.00 H new ATOM 0 HG2 GLU A 103 7.556 10.502 2.314 1.00 0.00 H new ATOM 0 HG3 GLU A 103 9.143 10.835 1.648 1.00 0.00 H new ATOM 1591 N VAL A 104 7.493 9.091 -0.694 1.00 0.00 N ATOM 1592 CA VAL A 104 8.258 7.890 -1.018 1.00 0.00 C ATOM 1593 C VAL A 104 7.667 7.111 -2.189 1.00 0.00 C ATOM 1594 O VAL A 104 8.369 6.300 -2.789 1.00 0.00 O ATOM 1595 CB VAL A 104 8.337 6.969 0.201 1.00 0.00 C ATOM 1596 CG1 VAL A 104 9.096 7.642 1.343 1.00 0.00 C ATOM 1597 CG2 VAL A 104 6.935 6.585 0.661 1.00 0.00 C ATOM 0 H VAL A 104 6.502 8.919 -0.526 1.00 0.00 H new ATOM 0 HA VAL A 104 9.253 8.226 -1.309 1.00 0.00 H new ATOM 0 HB VAL A 104 8.878 6.067 -0.087 1.00 0.00 H new ATOM 0 HG11 VAL A 104 9.139 6.968 2.198 1.00 0.00 H new ATOM 0 HG12 VAL A 104 10.109 7.879 1.017 1.00 0.00 H new ATOM 0 HG13 VAL A 104 8.583 8.560 1.630 1.00 0.00 H new ATOM 0 HG21 VAL A 104 7.004 5.929 1.529 1.00 0.00 H new ATOM 0 HG22 VAL A 104 6.381 7.485 0.929 1.00 0.00 H new ATOM 0 HG23 VAL A 104 6.417 6.066 -0.145 1.00 0.00 H new ATOM 1607 N ILE A 105 6.394 7.343 -2.523 1.00 0.00 N ATOM 1608 CA ILE A 105 5.709 6.631 -3.591 1.00 0.00 C ATOM 1609 C ILE A 105 6.493 6.629 -4.905 1.00 0.00 C ATOM 1610 O ILE A 105 6.335 5.710 -5.705 1.00 0.00 O ATOM 1611 CB ILE A 105 4.311 7.250 -3.753 1.00 0.00 C ATOM 1612 CG1 ILE A 105 3.395 6.375 -4.609 1.00 0.00 C ATOM 1613 CG2 ILE A 105 4.387 8.655 -4.355 1.00 0.00 C ATOM 1614 CD1 ILE A 105 3.223 5.001 -3.968 1.00 0.00 C ATOM 0 H ILE A 105 5.811 8.036 -2.053 1.00 0.00 H new ATOM 0 HA ILE A 105 5.622 5.579 -3.319 1.00 0.00 H new ATOM 0 HB ILE A 105 3.886 7.317 -2.752 1.00 0.00 H new ATOM 0 HG12 ILE A 105 2.423 6.855 -4.721 1.00 0.00 H new ATOM 0 HG13 ILE A 105 3.815 6.267 -5.609 1.00 0.00 H new ATOM 0 HG21 ILE A 105 3.381 9.063 -4.456 1.00 0.00 H new ATOM 0 HG22 ILE A 105 4.976 9.299 -3.702 1.00 0.00 H new ATOM 0 HG23 ILE A 105 4.858 8.605 -5.337 1.00 0.00 H new ATOM 0 HD11 ILE A 105 2.568 4.389 -4.589 1.00 0.00 H new ATOM 0 HD12 ILE A 105 4.195 4.517 -3.879 1.00 0.00 H new ATOM 0 HD13 ILE A 105 2.782 5.114 -2.978 1.00 0.00 H new ATOM 1626 N GLN A 106 7.335 7.642 -5.136 1.00 0.00 N ATOM 1627 CA GLN A 106 8.150 7.702 -6.339 1.00 0.00 C ATOM 1628 C GLN A 106 9.161 6.556 -6.370 1.00 0.00 C ATOM 1629 O GLN A 106 9.320 5.888 -7.390 1.00 0.00 O ATOM 1630 CB GLN A 106 8.816 9.078 -6.421 1.00 0.00 C ATOM 1631 CG GLN A 106 9.742 9.347 -5.232 1.00 0.00 C ATOM 1632 CD GLN A 106 10.257 10.783 -5.219 1.00 0.00 C ATOM 1633 OE1 GLN A 106 9.984 11.566 -6.124 1.00 0.00 O ATOM 1634 NE2 GLN A 106 11.014 11.146 -4.186 1.00 0.00 N ATOM 0 H GLN A 106 7.465 8.429 -4.501 1.00 0.00 H new ATOM 0 HA GLN A 106 7.522 7.576 -7.221 1.00 0.00 H new ATOM 0 HB2 GLN A 106 9.387 9.148 -7.347 1.00 0.00 H new ATOM 0 HB3 GLN A 106 8.047 9.850 -6.462 1.00 0.00 H new ATOM 0 HG2 GLN A 106 9.207 9.146 -4.304 1.00 0.00 H new ATOM 0 HG3 GLN A 106 10.587 8.660 -5.268 1.00 0.00 H new ATOM 0 HE21 GLN A 106 11.225 10.475 -3.448 1.00 0.00 H new ATOM 0 HE22 GLN A 106 11.383 12.095 -4.133 1.00 0.00 H new ATOM 1643 N GLU A 107 9.849 6.323 -5.251 1.00 0.00 N ATOM 1644 CA GLU A 107 10.863 5.284 -5.161 1.00 0.00 C ATOM 1645 C GLU A 107 10.193 3.919 -5.098 1.00 0.00 C ATOM 1646 O GLU A 107 10.653 2.960 -5.723 1.00 0.00 O ATOM 1647 CB GLU A 107 11.717 5.486 -3.905 1.00 0.00 C ATOM 1648 CG GLU A 107 12.314 6.888 -3.860 1.00 0.00 C ATOM 1649 CD GLU A 107 13.308 7.024 -2.710 1.00 0.00 C ATOM 1650 OE1 GLU A 107 14.504 6.731 -2.938 1.00 0.00 O ATOM 1651 OE2 GLU A 107 12.867 7.421 -1.609 1.00 0.00 O ATOM 0 H GLU A 107 9.716 6.850 -4.388 1.00 0.00 H new ATOM 0 HA GLU A 107 11.502 5.340 -6.042 1.00 0.00 H new ATOM 0 HB2 GLU A 107 11.107 5.320 -3.017 1.00 0.00 H new ATOM 0 HB3 GLU A 107 12.518 4.747 -3.884 1.00 0.00 H new ATOM 0 HG2 GLU A 107 12.813 7.105 -4.804 1.00 0.00 H new ATOM 0 HG3 GLU A 107 11.517 7.623 -3.745 1.00 0.00 H new ATOM 1658 N LEU A 108 9.098 3.839 -4.337 1.00 0.00 N ATOM 1659 CA LEU A 108 8.379 2.589 -4.147 1.00 0.00 C ATOM 1660 C LEU A 108 7.875 2.056 -5.485 1.00 0.00 C ATOM 1661 O LEU A 108 8.098 0.890 -5.804 1.00 0.00 O ATOM 1662 CB LEU A 108 7.222 2.783 -3.160 1.00 0.00 C ATOM 1663 CG LEU A 108 7.704 3.161 -1.755 1.00 0.00 C ATOM 1664 CD1 LEU A 108 6.492 3.346 -0.848 1.00 0.00 C ATOM 1665 CD2 LEU A 108 8.594 2.071 -1.153 1.00 0.00 C ATOM 0 H LEU A 108 8.693 4.634 -3.842 1.00 0.00 H new ATOM 0 HA LEU A 108 9.063 1.852 -3.726 1.00 0.00 H new ATOM 0 HB2 LEU A 108 6.557 3.562 -3.534 1.00 0.00 H new ATOM 0 HB3 LEU A 108 6.638 1.864 -3.105 1.00 0.00 H new ATOM 0 HG LEU A 108 8.284 4.081 -1.833 1.00 0.00 H new ATOM 0 HD11 LEU A 108 6.825 3.615 0.154 1.00 0.00 H new ATOM 0 HD12 LEU A 108 5.858 4.139 -1.245 1.00 0.00 H new ATOM 0 HD13 LEU A 108 5.925 2.416 -0.804 1.00 0.00 H new ATOM 0 HD21 LEU A 108 8.917 2.374 -0.157 1.00 0.00 H new ATOM 0 HD22 LEU A 108 8.033 1.139 -1.085 1.00 0.00 H new ATOM 0 HD23 LEU A 108 9.467 1.923 -1.788 1.00 0.00 H new ATOM 1677 N LEU A 109 7.201 2.905 -6.265 1.00 0.00 N ATOM 1678 CA LEU A 109 6.726 2.511 -7.579 1.00 0.00 C ATOM 1679 C LEU A 109 7.900 2.258 -8.508 1.00 0.00 C ATOM 1680 O LEU A 109 8.020 1.143 -9.006 1.00 0.00 O ATOM 1681 CB LEU A 109 5.768 3.557 -8.143 1.00 0.00 C ATOM 1682 CG LEU A 109 4.433 3.565 -7.390 1.00 0.00 C ATOM 1683 CD1 LEU A 109 3.557 4.680 -7.945 1.00 0.00 C ATOM 1684 CD2 LEU A 109 3.692 2.242 -7.565 1.00 0.00 C ATOM 0 H LEU A 109 6.976 3.865 -6.004 1.00 0.00 H new ATOM 0 HA LEU A 109 6.168 1.579 -7.489 1.00 0.00 H new ATOM 0 HB2 LEU A 109 6.228 4.543 -8.080 1.00 0.00 H new ATOM 0 HB3 LEU A 109 5.589 3.355 -9.199 1.00 0.00 H new ATOM 0 HG LEU A 109 4.640 3.717 -6.331 1.00 0.00 H new ATOM 0 HD11 LEU A 109 2.605 4.693 -7.415 1.00 0.00 H new ATOM 0 HD12 LEU A 109 4.060 5.638 -7.812 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.379 4.508 -9.007 1.00 0.00 H new ATOM 0 HD21 LEU A 109 2.749 2.278 -7.019 1.00 0.00 H new ATOM 0 HD22 LEU A 109 3.493 2.074 -8.623 1.00 0.00 H new ATOM 0 HD23 LEU A 109 4.304 1.428 -7.177 1.00 0.00 H new ATOM 1696 N SER A 110 8.759 3.253 -8.751 1.00 0.00 N ATOM 1697 CA SER A 110 9.812 3.076 -9.745 1.00 0.00 C ATOM 1698 C SER A 110 10.580 1.770 -9.536 1.00 0.00 C ATOM 1699 O SER A 110 10.875 1.082 -10.516 1.00 0.00 O ATOM 1700 CB SER A 110 10.765 4.273 -9.745 1.00 0.00 C ATOM 1701 OG SER A 110 11.318 4.483 -8.465 1.00 0.00 O ATOM 0 H SER A 110 8.746 4.161 -8.287 1.00 0.00 H new ATOM 0 HA SER A 110 9.331 3.017 -10.721 1.00 0.00 H new ATOM 0 HB2 SER A 110 11.564 4.105 -10.467 1.00 0.00 H new ATOM 0 HB3 SER A 110 10.230 5.167 -10.064 1.00 0.00 H new ATOM 0 HG SER A 110 10.655 4.919 -7.890 1.00 0.00 H new ATOM 1707 N ASP A 111 10.907 1.412 -8.292 1.00 0.00 N ATOM 1708 CA ASP A 111 11.596 0.152 -8.039 1.00 0.00 C ATOM 1709 C ASP A 111 10.665 -1.034 -8.277 1.00 0.00 C ATOM 1710 O ASP A 111 11.026 -1.949 -9.009 1.00 0.00 O ATOM 1711 CB ASP A 111 12.155 0.118 -6.613 1.00 0.00 C ATOM 1712 CG ASP A 111 13.297 1.113 -6.398 1.00 0.00 C ATOM 1713 OD1 ASP A 111 13.996 1.428 -7.385 1.00 0.00 O ATOM 1714 OD2 ASP A 111 13.461 1.552 -5.237 1.00 0.00 O ATOM 0 H ASP A 111 10.709 1.968 -7.460 1.00 0.00 H new ATOM 0 HA ASP A 111 12.429 0.077 -8.737 1.00 0.00 H new ATOM 0 HB2 ASP A 111 11.353 0.336 -5.908 1.00 0.00 H new ATOM 0 HB3 ASP A 111 12.510 -0.888 -6.391 1.00 0.00 H new ATOM 1719 N ALA A 112 9.477 -1.023 -7.665 1.00 0.00 N ATOM 1720 CA ALA A 112 8.496 -2.096 -7.777 1.00 0.00 C ATOM 1721 C ALA A 112 8.108 -2.402 -9.220 1.00 0.00 C ATOM 1722 O ALA A 112 7.816 -3.553 -9.531 1.00 0.00 O ATOM 1723 CB ALA A 112 7.234 -1.700 -7.022 1.00 0.00 C ATOM 0 H ALA A 112 9.169 -0.254 -7.069 1.00 0.00 H new ATOM 0 HA ALA A 112 8.957 -2.990 -7.357 1.00 0.00 H new ATOM 0 HB1 ALA A 112 6.496 -2.499 -7.102 1.00 0.00 H new ATOM 0 HB2 ALA A 112 7.475 -1.533 -5.972 1.00 0.00 H new ATOM 0 HB3 ALA A 112 6.826 -0.785 -7.451 1.00 0.00 H new ATOM 1729 N ILE A 113 8.091 -1.412 -10.121 1.00 0.00 N ATOM 1730 CA ILE A 113 7.823 -1.718 -11.519 1.00 0.00 C ATOM 1731 C ILE A 113 9.086 -2.093 -12.282 1.00 0.00 C ATOM 1732 O ILE A 113 9.033 -2.962 -13.152 1.00 0.00 O ATOM 1733 CB ILE A 113 7.106 -0.582 -12.251 1.00 0.00 C ATOM 1734 CG1 ILE A 113 6.473 0.436 -11.295 1.00 0.00 C ATOM 1735 CG2 ILE A 113 6.090 -1.251 -13.171 1.00 0.00 C ATOM 1736 CD1 ILE A 113 5.267 1.180 -11.845 1.00 0.00 C ATOM 0 H ILE A 113 8.254 -0.427 -9.912 1.00 0.00 H new ATOM 0 HA ILE A 113 7.157 -2.581 -11.495 1.00 0.00 H new ATOM 0 HB ILE A 113 7.812 0.016 -12.828 1.00 0.00 H new ATOM 0 HG12 ILE A 113 6.175 -0.082 -10.384 1.00 0.00 H new ATOM 0 HG13 ILE A 113 7.232 1.166 -11.013 1.00 0.00 H new ATOM 0 HG21 ILE A 113 5.543 -0.488 -13.724 1.00 0.00 H new ATOM 0 HG22 ILE A 113 6.609 -1.905 -13.872 1.00 0.00 H new ATOM 0 HG23 ILE A 113 5.391 -1.839 -12.575 1.00 0.00 H new ATOM 0 HD11 ILE A 113 4.894 1.875 -11.093 1.00 0.00 H new ATOM 0 HD12 ILE A 113 5.557 1.733 -12.738 1.00 0.00 H new ATOM 0 HD13 ILE A 113 4.484 0.466 -12.099 1.00 0.00 H new ATOM 1748 N ALA A 114 10.224 -1.459 -11.979 1.00 0.00 N ATOM 1749 CA ALA A 114 11.456 -1.784 -12.680 1.00 0.00 C ATOM 1750 C ALA A 114 11.944 -3.187 -12.310 1.00 0.00 C ATOM 1751 O ALA A 114 12.608 -3.852 -13.105 1.00 0.00 O ATOM 1752 CB ALA A 114 12.517 -0.738 -12.345 1.00 0.00 C ATOM 0 H ALA A 114 10.311 -0.734 -11.267 1.00 0.00 H new ATOM 0 HA ALA A 114 11.267 -1.775 -13.753 1.00 0.00 H new ATOM 0 HB1 ALA A 114 13.442 -0.978 -12.869 1.00 0.00 H new ATOM 0 HB2 ALA A 114 12.168 0.247 -12.657 1.00 0.00 H new ATOM 0 HB3 ALA A 114 12.698 -0.735 -11.270 1.00 0.00 H new ATOM 1758 N LYS A 115 11.612 -3.637 -11.097 1.00 0.00 N ATOM 1759 CA LYS A 115 11.962 -4.957 -10.595 1.00 0.00 C ATOM 1760 C LYS A 115 11.020 -6.023 -11.162 1.00 0.00 C ATOM 1761 O LYS A 115 11.338 -7.213 -11.134 1.00 0.00 O ATOM 1762 CB LYS A 115 11.931 -4.907 -9.057 1.00 0.00 C ATOM 1763 CG LYS A 115 10.506 -4.832 -8.512 1.00 0.00 C ATOM 1764 CD LYS A 115 9.889 -6.204 -8.244 1.00 0.00 C ATOM 1765 CE LYS A 115 8.388 -6.076 -7.987 1.00 0.00 C ATOM 1766 NZ LYS A 115 7.769 -7.399 -7.768 1.00 0.00 N ATOM 0 H LYS A 115 11.082 -3.079 -10.428 1.00 0.00 H new ATOM 0 HA LYS A 115 12.964 -5.236 -10.920 1.00 0.00 H new ATOM 0 HB2 LYS A 115 12.426 -5.792 -8.656 1.00 0.00 H new ATOM 0 HB3 LYS A 115 12.497 -4.042 -8.712 1.00 0.00 H new ATOM 0 HG2 LYS A 115 10.508 -4.255 -7.587 1.00 0.00 H new ATOM 0 HG3 LYS A 115 9.880 -4.292 -9.223 1.00 0.00 H new ATOM 0 HD2 LYS A 115 10.063 -6.860 -9.097 1.00 0.00 H new ATOM 0 HD3 LYS A 115 10.373 -6.665 -7.383 1.00 0.00 H new ATOM 0 HE2 LYS A 115 8.218 -5.443 -7.116 1.00 0.00 H new ATOM 0 HE3 LYS A 115 7.912 -5.585 -8.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 6.772 -7.369 -8.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 8.273 -8.115 -8.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 7.825 -7.646 -6.759 1.00 0.00 H new ATOM 1780 N SER A 116 9.862 -5.593 -11.676 1.00 0.00 N ATOM 1781 CA SER A 116 8.807 -6.477 -12.151 1.00 0.00 C ATOM 1782 C SER A 116 9.065 -7.054 -13.537 1.00 0.00 C ATOM 1783 O SER A 116 9.940 -6.606 -14.276 1.00 0.00 O ATOM 1784 CB SER A 116 7.478 -5.721 -12.165 1.00 0.00 C ATOM 1785 OG SER A 116 6.960 -5.616 -10.859 1.00 0.00 O ATOM 0 H SER A 116 9.634 -4.603 -11.772 1.00 0.00 H new ATOM 0 HA SER A 116 8.778 -7.319 -11.460 1.00 0.00 H new ATOM 0 HB2 SER A 116 7.622 -4.726 -12.587 1.00 0.00 H new ATOM 0 HB3 SER A 116 6.764 -6.239 -12.806 1.00 0.00 H new ATOM 0 HG SER A 116 7.101 -4.706 -10.523 1.00 0.00 H new ATOM 1791 N ASN A 117 8.265 -8.075 -13.866 1.00 0.00 N ATOM 1792 CA ASN A 117 8.212 -8.714 -15.170 1.00 0.00 C ATOM 1793 C ASN A 117 6.897 -8.304 -15.842 1.00 0.00 C ATOM 1794 O ASN A 117 6.171 -7.473 -15.300 1.00 0.00 O ATOM 1795 CB ASN A 117 8.330 -10.230 -14.962 1.00 0.00 C ATOM 1796 CG ASN A 117 8.605 -10.996 -16.251 1.00 0.00 C ATOM 1797 OD1 ASN A 117 8.858 -10.409 -17.299 1.00 0.00 O ATOM 1798 ND2 ASN A 117 8.554 -12.322 -16.184 1.00 0.00 N ATOM 0 H ASN A 117 7.614 -8.489 -13.199 1.00 0.00 H new ATOM 0 HA ASN A 117 9.029 -8.406 -15.822 1.00 0.00 H new ATOM 0 HB2 ASN A 117 9.131 -10.431 -14.250 1.00 0.00 H new ATOM 0 HB3 ASN A 117 7.407 -10.602 -14.517 1.00 0.00 H new ATOM 0 HD21 ASN A 117 8.728 -12.882 -17.019 1.00 0.00 H new ATOM 0 HD22 ASN A 117 8.341 -12.780 -15.298 1.00 0.00 H new ATOM 1805 N GLN A 118 6.579 -8.872 -17.009 1.00 0.00 N ATOM 1806 CA GLN A 118 5.388 -8.521 -17.773 1.00 0.00 C ATOM 1807 C GLN A 118 4.121 -8.561 -16.915 1.00 0.00 C ATOM 1808 O GLN A 118 3.388 -7.576 -16.839 1.00 0.00 O ATOM 1809 CB GLN A 118 5.280 -9.504 -18.945 1.00 0.00 C ATOM 1810 CG GLN A 118 4.102 -9.205 -19.875 1.00 0.00 C ATOM 1811 CD GLN A 118 4.287 -7.893 -20.627 1.00 0.00 C ATOM 1812 OE1 GLN A 118 3.608 -6.909 -20.351 1.00 0.00 O ATOM 1813 NE2 GLN A 118 5.209 -7.863 -21.586 1.00 0.00 N ATOM 0 H GLN A 118 7.149 -9.594 -17.450 1.00 0.00 H new ATOM 0 HA GLN A 118 5.480 -7.497 -18.134 1.00 0.00 H new ATOM 0 HB2 GLN A 118 6.205 -9.476 -19.521 1.00 0.00 H new ATOM 0 HB3 GLN A 118 5.178 -10.516 -18.554 1.00 0.00 H new ATOM 0 HG2 GLN A 118 3.989 -10.020 -20.590 1.00 0.00 H new ATOM 0 HG3 GLN A 118 3.182 -9.162 -19.292 1.00 0.00 H new ATOM 0 HE21 GLN A 118 5.758 -8.698 -21.792 1.00 0.00 H new ATOM 0 HE22 GLN A 118 5.367 -7.005 -22.115 1.00 0.00 H new ATOM 1822 N ASP A 119 3.851 -9.697 -16.264 1.00 0.00 N ATOM 1823 CA ASP A 119 2.630 -9.857 -15.490 1.00 0.00 C ATOM 1824 C ASP A 119 2.634 -8.972 -14.241 1.00 0.00 C ATOM 1825 O ASP A 119 1.581 -8.498 -13.812 1.00 0.00 O ATOM 1826 CB ASP A 119 2.485 -11.330 -15.108 1.00 0.00 C ATOM 1827 CG ASP A 119 1.146 -11.606 -14.424 1.00 0.00 C ATOM 1828 OD1 ASP A 119 0.121 -11.598 -15.143 1.00 0.00 O ATOM 1829 OD2 ASP A 119 1.162 -11.824 -13.191 1.00 0.00 O ATOM 0 H ASP A 119 4.463 -10.513 -16.261 1.00 0.00 H new ATOM 0 HA ASP A 119 1.780 -9.544 -16.097 1.00 0.00 H new ATOM 0 HB2 ASP A 119 2.572 -11.948 -16.002 1.00 0.00 H new ATOM 0 HB3 ASP A 119 3.300 -11.616 -14.442 1.00 0.00 H new ATOM 1834 N HIS A 120 3.808 -8.740 -13.649 1.00 0.00 N ATOM 1835 CA HIS A 120 3.890 -7.946 -12.431 1.00 0.00 C ATOM 1836 C HIS A 120 3.752 -6.456 -12.727 1.00 0.00 C ATOM 1837 O HIS A 120 3.062 -5.766 -11.981 1.00 0.00 O ATOM 1838 CB HIS A 120 5.174 -8.279 -11.674 1.00 0.00 C ATOM 1839 CG HIS A 120 5.220 -9.706 -11.192 1.00 0.00 C ATOM 1840 ND1 HIS A 120 4.184 -10.368 -10.525 1.00 0.00 N ATOM 1841 CD2 HIS A 120 6.274 -10.562 -11.336 1.00 0.00 C ATOM 1842 CE1 HIS A 120 4.645 -11.608 -10.285 1.00 0.00 C ATOM 1843 NE2 HIS A 120 5.895 -11.750 -10.761 1.00 0.00 N ATOM 0 H HIS A 120 4.703 -9.088 -13.992 1.00 0.00 H new ATOM 0 HA HIS A 120 3.051 -8.204 -11.785 1.00 0.00 H new ATOM 0 HB2 HIS A 120 6.030 -8.092 -12.322 1.00 0.00 H new ATOM 0 HB3 HIS A 120 5.269 -7.609 -10.819 1.00 0.00 H new ATOM 0 HD2 HIS A 120 7.221 -10.347 -11.809 1.00 0.00 H new ATOM 0 HE1 HIS A 120 4.088 -12.383 -9.780 1.00 0.00 H new ATOM 0 HE2 HIS A 120 6.464 -12.595 -10.705 1.00 0.00 H new ATOM 1851 N LYS A 121 4.385 -5.936 -13.788 1.00 0.00 N ATOM 1852 CA LYS A 121 4.192 -4.537 -14.127 1.00 0.00 C ATOM 1853 C LYS A 121 2.754 -4.335 -14.569 1.00 0.00 C ATOM 1854 O LYS A 121 2.186 -3.274 -14.326 1.00 0.00 O ATOM 1855 CB LYS A 121 5.194 -4.061 -15.189 1.00 0.00 C ATOM 1856 CG LYS A 121 4.820 -4.466 -16.621 1.00 0.00 C ATOM 1857 CD LYS A 121 3.877 -3.448 -17.283 1.00 0.00 C ATOM 1858 CE LYS A 121 3.162 -4.056 -18.494 1.00 0.00 C ATOM 1859 NZ LYS A 121 4.108 -4.335 -19.591 1.00 0.00 N ATOM 0 H LYS A 121 5.014 -6.451 -14.403 1.00 0.00 H new ATOM 0 HA LYS A 121 4.383 -3.925 -13.245 1.00 0.00 H new ATOM 0 HB2 LYS A 121 5.274 -2.975 -15.138 1.00 0.00 H new ATOM 0 HB3 LYS A 121 6.178 -4.465 -14.953 1.00 0.00 H new ATOM 0 HG2 LYS A 121 5.727 -4.562 -17.219 1.00 0.00 H new ATOM 0 HG3 LYS A 121 4.343 -5.446 -16.607 1.00 0.00 H new ATOM 0 HD2 LYS A 121 3.140 -3.106 -16.557 1.00 0.00 H new ATOM 0 HD3 LYS A 121 4.446 -2.572 -17.596 1.00 0.00 H new ATOM 0 HE2 LYS A 121 2.662 -4.979 -18.198 1.00 0.00 H new ATOM 0 HE3 LYS A 121 2.388 -3.372 -18.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 3.840 -3.782 -20.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 5.070 -4.071 -19.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 4.083 -5.349 -19.822 1.00 0.00 H new ATOM 1873 N GLU A 122 2.160 -5.343 -15.216 1.00 0.00 N ATOM 1874 CA GLU A 122 0.773 -5.242 -15.640 1.00 0.00 C ATOM 1875 C GLU A 122 -0.138 -5.078 -14.426 1.00 0.00 C ATOM 1876 O GLU A 122 -1.023 -4.221 -14.430 1.00 0.00 O ATOM 1877 CB GLU A 122 0.401 -6.478 -16.456 1.00 0.00 C ATOM 1878 CG GLU A 122 -0.979 -6.248 -17.057 1.00 0.00 C ATOM 1879 CD GLU A 122 -1.422 -7.443 -17.895 1.00 0.00 C ATOM 1880 OE1 GLU A 122 -1.094 -7.452 -19.102 1.00 0.00 O ATOM 1881 OE2 GLU A 122 -2.085 -8.339 -17.329 1.00 0.00 O ATOM 0 H GLU A 122 2.616 -6.224 -15.452 1.00 0.00 H new ATOM 0 HA GLU A 122 0.643 -4.362 -16.270 1.00 0.00 H new ATOM 0 HB2 GLU A 122 1.135 -6.650 -17.243 1.00 0.00 H new ATOM 0 HB3 GLU A 122 0.398 -7.366 -15.823 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -1.701 -6.072 -16.260 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -0.964 -5.352 -17.677 1.00 0.00 H new ATOM 1888 N LYS A 123 0.067 -5.891 -13.381 1.00 0.00 N ATOM 1889 CA LYS A 123 -0.720 -5.750 -12.163 1.00 0.00 C ATOM 1890 C LYS A 123 -0.494 -4.387 -11.509 1.00 0.00 C ATOM 1891 O LYS A 123 -1.448 -3.758 -11.055 1.00 0.00 O ATOM 1892 CB LYS A 123 -0.379 -6.866 -11.170 1.00 0.00 C ATOM 1893 CG LYS A 123 -1.004 -8.192 -11.615 1.00 0.00 C ATOM 1894 CD LYS A 123 -0.914 -9.252 -10.512 1.00 0.00 C ATOM 1895 CE LYS A 123 0.525 -9.504 -10.061 1.00 0.00 C ATOM 1896 NZ LYS A 123 1.343 -10.033 -11.167 1.00 0.00 N ATOM 0 H LYS A 123 0.760 -6.639 -13.359 1.00 0.00 H new ATOM 0 HA LYS A 123 -1.771 -5.827 -12.440 1.00 0.00 H new ATOM 0 HB2 LYS A 123 0.703 -6.975 -11.094 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -0.743 -6.601 -10.177 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -2.048 -8.032 -11.883 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -0.497 -8.552 -12.510 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -1.509 -8.933 -9.656 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -1.347 -10.185 -10.872 1.00 0.00 H new ATOM 0 HE2 LYS A 123 0.962 -8.576 -9.693 1.00 0.00 H new ATOM 0 HE3 LYS A 123 0.531 -10.210 -9.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 2.306 -10.227 -10.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 0.918 -10.913 -11.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 1.383 -9.333 -11.935 1.00 0.00 H new ATOM 1910 N ILE A 124 0.758 -3.921 -11.457 1.00 0.00 N ATOM 1911 CA ILE A 124 1.079 -2.624 -10.874 1.00 0.00 C ATOM 1912 C ILE A 124 0.469 -1.504 -11.722 1.00 0.00 C ATOM 1913 O ILE A 124 0.041 -0.484 -11.189 1.00 0.00 O ATOM 1914 CB ILE A 124 2.604 -2.490 -10.742 1.00 0.00 C ATOM 1915 CG1 ILE A 124 3.104 -3.518 -9.722 1.00 0.00 C ATOM 1916 CG2 ILE A 124 3.015 -1.082 -10.291 1.00 0.00 C ATOM 1917 CD1 ILE A 124 4.628 -3.604 -9.733 1.00 0.00 C ATOM 0 H ILE A 124 1.566 -4.430 -11.815 1.00 0.00 H new ATOM 0 HA ILE A 124 0.649 -2.542 -9.876 1.00 0.00 H new ATOM 0 HB ILE A 124 3.050 -2.668 -11.720 1.00 0.00 H new ATOM 0 HG12 ILE A 124 2.759 -3.244 -8.725 1.00 0.00 H new ATOM 0 HG13 ILE A 124 2.679 -4.496 -9.948 1.00 0.00 H new ATOM 0 HG21 ILE A 124 4.101 -1.028 -10.210 1.00 0.00 H new ATOM 0 HG22 ILE A 124 2.669 -0.351 -11.021 1.00 0.00 H new ATOM 0 HG23 ILE A 124 2.567 -0.865 -9.321 1.00 0.00 H new ATOM 0 HD11 ILE A 124 4.956 -4.341 -9.000 1.00 0.00 H new ATOM 0 HD12 ILE A 124 4.968 -3.902 -10.725 1.00 0.00 H new ATOM 0 HD13 ILE A 124 5.049 -2.630 -9.482 1.00 0.00 H new ATOM 1929 N ARG A 125 0.423 -1.684 -13.046 1.00 0.00 N ATOM 1930 CA ARG A 125 -0.170 -0.701 -13.944 1.00 0.00 C ATOM 1931 C ARG A 125 -1.678 -0.613 -13.725 1.00 0.00 C ATOM 1932 O ARG A 125 -2.237 0.478 -13.777 1.00 0.00 O ATOM 1933 CB ARG A 125 0.172 -1.072 -15.390 1.00 0.00 C ATOM 1934 CG ARG A 125 -0.368 -0.014 -16.355 1.00 0.00 C ATOM 1935 CD ARG A 125 0.022 -0.348 -17.793 1.00 0.00 C ATOM 1936 NE ARG A 125 -0.631 -1.578 -18.256 1.00 0.00 N ATOM 1937 CZ ARG A 125 -0.376 -2.159 -19.432 1.00 0.00 C ATOM 1938 NH1 ARG A 125 0.508 -1.625 -20.274 1.00 0.00 N ATOM 1939 NH2 ARG A 125 -1.006 -3.280 -19.771 1.00 0.00 N ATOM 0 H ARG A 125 0.794 -2.509 -13.517 1.00 0.00 H new ATOM 0 HA ARG A 125 0.241 0.286 -13.732 1.00 0.00 H new ATOM 0 HB2 ARG A 125 1.253 -1.159 -15.504 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -0.254 -2.046 -15.633 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -1.453 0.043 -16.271 1.00 0.00 H new ATOM 0 HG3 ARG A 125 0.024 0.966 -16.085 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -0.253 0.479 -18.447 1.00 0.00 H new ATOM 0 HD3 ARG A 125 1.104 -0.462 -17.861 1.00 0.00 H new ATOM 0 HE ARG A 125 -1.320 -2.015 -17.644 1.00 0.00 H new ATOM 0 HH11 ARG A 125 0.997 -0.766 -20.023 1.00 0.00 H new ATOM 0 HH12 ARG A 125 0.696 -2.076 -21.169 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -1.684 -3.697 -19.133 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -0.811 -3.723 -20.669 1.00 0.00 H new ATOM 1953 N MET A 126 -2.341 -1.747 -13.478 1.00 0.00 N ATOM 1954 CA MET A 126 -3.766 -1.757 -13.176 1.00 0.00 C ATOM 1955 C MET A 126 -4.016 -1.059 -11.840 1.00 0.00 C ATOM 1956 O MET A 126 -4.977 -0.302 -11.704 1.00 0.00 O ATOM 1957 CB MET A 126 -4.256 -3.206 -13.145 1.00 0.00 C ATOM 1958 CG MET A 126 -5.757 -3.265 -12.860 1.00 0.00 C ATOM 1959 SD MET A 126 -6.444 -4.940 -12.832 1.00 0.00 S ATOM 1960 CE MET A 126 -5.598 -5.601 -11.373 1.00 0.00 C ATOM 0 H MET A 126 -1.907 -2.670 -13.483 1.00 0.00 H new ATOM 0 HA MET A 126 -4.319 -1.217 -13.944 1.00 0.00 H new ATOM 0 HB2 MET A 126 -4.043 -3.687 -14.100 1.00 0.00 H new ATOM 0 HB3 MET A 126 -3.714 -3.762 -12.380 1.00 0.00 H new ATOM 0 HG2 MET A 126 -5.952 -2.789 -11.899 1.00 0.00 H new ATOM 0 HG3 MET A 126 -6.282 -2.682 -13.617 1.00 0.00 H new ATOM 0 HE1 MET A 126 -6.080 -6.527 -11.061 1.00 0.00 H new ATOM 0 HE2 MET A 126 -4.554 -5.800 -11.616 1.00 0.00 H new ATOM 0 HE3 MET A 126 -5.650 -4.874 -10.562 1.00 0.00 H new ATOM 1970 N LEU A 127 -3.150 -1.310 -10.854 1.00 0.00 N ATOM 1971 CA LEU A 127 -3.248 -0.673 -9.551 1.00 0.00 C ATOM 1972 C LEU A 127 -3.158 0.848 -9.719 1.00 0.00 C ATOM 1973 O LEU A 127 -3.940 1.581 -9.118 1.00 0.00 O ATOM 1974 CB LEU A 127 -2.142 -1.257 -8.663 1.00 0.00 C ATOM 1975 CG LEU A 127 -2.103 -0.713 -7.230 1.00 0.00 C ATOM 1976 CD1 LEU A 127 -1.339 -1.708 -6.359 1.00 0.00 C ATOM 1977 CD2 LEU A 127 -1.367 0.624 -7.142 1.00 0.00 C ATOM 0 H LEU A 127 -2.367 -1.958 -10.942 1.00 0.00 H new ATOM 0 HA LEU A 127 -4.205 -0.869 -9.068 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -2.265 -2.339 -8.621 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -1.179 -1.064 -9.135 1.00 0.00 H new ATOM 0 HG LEU A 127 -3.132 -0.571 -6.900 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -1.300 -1.339 -5.334 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -1.846 -2.673 -6.378 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -0.325 -1.823 -6.742 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -1.365 0.971 -6.109 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -0.340 0.497 -7.485 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -1.871 1.359 -7.770 1.00 0.00 H new ATOM 1989 N LEU A 128 -2.209 1.323 -10.535 1.00 0.00 N ATOM 1990 CA LEU A 128 -2.034 2.749 -10.771 1.00 0.00 C ATOM 1991 C LEU A 128 -3.166 3.326 -11.616 1.00 0.00 C ATOM 1992 O LEU A 128 -3.482 4.507 -11.481 1.00 0.00 O ATOM 1993 CB LEU A 128 -0.685 2.992 -11.446 1.00 0.00 C ATOM 1994 CG LEU A 128 0.488 2.672 -10.514 1.00 0.00 C ATOM 1995 CD1 LEU A 128 1.793 2.870 -11.277 1.00 0.00 C ATOM 1996 CD2 LEU A 128 0.493 3.582 -9.289 1.00 0.00 C ATOM 0 H LEU A 128 -1.551 0.732 -11.042 1.00 0.00 H new ATOM 0 HA LEU A 128 -2.058 3.260 -9.808 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -0.613 2.378 -12.344 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -0.621 4.032 -11.765 1.00 0.00 H new ATOM 0 HG LEU A 128 0.385 1.641 -10.176 1.00 0.00 H new ATOM 0 HD11 LEU A 128 2.635 2.645 -10.622 1.00 0.00 H new ATOM 0 HD12 LEU A 128 1.815 2.203 -12.139 1.00 0.00 H new ATOM 0 HD13 LEU A 128 1.863 3.904 -11.616 1.00 0.00 H new ATOM 0 HD21 LEU A 128 1.338 3.327 -8.650 1.00 0.00 H new ATOM 0 HD22 LEU A 128 0.579 4.621 -9.608 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -0.435 3.449 -8.733 1.00 0.00 H new ATOM 2008 N ASP A 129 -3.785 2.523 -12.485 1.00 0.00 N ATOM 2009 CA ASP A 129 -4.918 2.990 -13.266 1.00 0.00 C ATOM 2010 C ASP A 129 -6.107 3.247 -12.338 1.00 0.00 C ATOM 2011 O ASP A 129 -6.852 4.207 -12.526 1.00 0.00 O ATOM 2012 CB ASP A 129 -5.265 1.952 -14.336 1.00 0.00 C ATOM 2013 CG ASP A 129 -6.416 2.429 -15.219 1.00 0.00 C ATOM 2014 OD1 ASP A 129 -6.175 3.350 -16.031 1.00 0.00 O ATOM 2015 OD2 ASP A 129 -7.522 1.868 -15.072 1.00 0.00 O ATOM 0 H ASP A 129 -3.518 1.554 -12.660 1.00 0.00 H new ATOM 0 HA ASP A 129 -4.666 3.925 -13.766 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -4.388 1.755 -14.953 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -5.536 1.011 -13.858 1.00 0.00 H new ATOM 2512 N PRO B 160 -7.127 -15.102 1.427 1.00 0.00 N ATOM 2513 CA PRO B 160 -8.391 -15.474 0.804 1.00 0.00 C ATOM 2514 C PRO B 160 -8.515 -14.902 -0.608 1.00 0.00 C ATOM 2515 O PRO B 160 -8.599 -15.654 -1.576 1.00 0.00 O ATOM 2516 CB PRO B 160 -9.467 -14.897 1.733 1.00 0.00 C ATOM 2517 CG PRO B 160 -8.768 -13.710 2.404 1.00 0.00 C ATOM 2518 CD PRO B 160 -7.354 -14.238 2.564 1.00 0.00 C ATOM 0 HA PRO B 160 -8.482 -16.554 0.687 1.00 0.00 H new ATOM 0 HB2 PRO B 160 -10.349 -14.580 1.176 1.00 0.00 H new ATOM 0 HB3 PRO B 160 -9.800 -15.632 2.466 1.00 0.00 H new ATOM 0 HG2 PRO B 160 -8.803 -12.812 1.787 1.00 0.00 H new ATOM 0 HG3 PRO B 160 -9.221 -13.456 3.362 1.00 0.00 H new ATOM 0 HD2 PRO B 160 -6.632 -13.422 2.586 1.00 0.00 H new ATOM 0 HD3 PRO B 160 -7.244 -14.786 3.500 1.00 0.00 H new ATOM 2526 N SER B 161 -8.523 -13.572 -0.727 1.00 0.00 N ATOM 2527 CA SER B 161 -8.537 -12.865 -1.999 1.00 0.00 C ATOM 2528 C SER B 161 -8.304 -11.380 -1.744 1.00 0.00 C ATOM 2529 O SER B 161 -8.706 -10.866 -0.700 1.00 0.00 O ATOM 2530 CB SER B 161 -9.886 -13.054 -2.696 1.00 0.00 C ATOM 2531 OG SER B 161 -10.943 -12.617 -1.870 1.00 0.00 O ATOM 0 H SER B 161 -8.520 -12.948 0.080 1.00 0.00 H new ATOM 0 HA SER B 161 -7.750 -13.264 -2.640 1.00 0.00 H new ATOM 0 HB2 SER B 161 -9.897 -12.498 -3.633 1.00 0.00 H new ATOM 0 HB3 SER B 161 -10.026 -14.105 -2.948 1.00 0.00 H new ATOM 0 HG SER B 161 -11.796 -12.745 -2.335 1.00 0.00 H new ATOM 2537 N TYR B 162 -7.663 -10.684 -2.685 1.00 0.00 N ATOM 2538 CA TYR B 162 -7.539 -9.237 -2.594 1.00 0.00 C ATOM 2539 C TYR B 162 -7.261 -8.609 -3.958 1.00 0.00 C ATOM 2540 O TYR B 162 -6.463 -9.129 -4.738 1.00 0.00 O ATOM 2541 CB TYR B 162 -6.429 -8.840 -1.626 1.00 0.00 C ATOM 2542 CG TYR B 162 -6.347 -7.338 -1.511 1.00 0.00 C ATOM 2543 CD1 TYR B 162 -5.574 -6.611 -2.429 1.00 0.00 C ATOM 2544 CD2 TYR B 162 -7.054 -6.675 -0.498 1.00 0.00 C ATOM 2545 CE1 TYR B 162 -5.543 -5.212 -2.369 1.00 0.00 C ATOM 2546 CE2 TYR B 162 -7.031 -5.275 -0.436 1.00 0.00 C ATOM 2547 CZ TYR B 162 -6.291 -4.543 -1.384 1.00 0.00 C ATOM 2548 OH TYR B 162 -6.301 -3.184 -1.348 1.00 0.00 O ATOM 0 H TYR B 162 -7.227 -11.098 -3.509 1.00 0.00 H new ATOM 0 HA TYR B 162 -8.493 -8.863 -2.222 1.00 0.00 H new ATOM 0 HB2 TYR B 162 -6.619 -9.277 -0.646 1.00 0.00 H new ATOM 0 HB3 TYR B 162 -5.475 -9.238 -1.973 1.00 0.00 H new ATOM 0 HD1 TYR B 162 -5.002 -7.131 -3.183 1.00 0.00 H new ATOM 0 HD2 TYR B 162 -7.614 -7.241 0.232 1.00 0.00 H new ATOM 0 HE1 TYR B 162 -4.948 -4.651 -3.075 1.00 0.00 H new ATOM 0 HE2 TYR B 162 -7.580 -4.759 0.338 1.00 0.00 H new ATOM 0 HH TYR B 162 -5.852 -2.832 -2.145 1.00 0.00 H new ATOM 2558 N SER B 163 -7.930 -7.484 -4.227 1.00 0.00 N ATOM 2559 CA SER B 163 -7.800 -6.744 -5.475 1.00 0.00 C ATOM 2560 C SER B 163 -7.736 -5.243 -5.193 1.00 0.00 C ATOM 2561 O SER B 163 -8.391 -4.757 -4.271 1.00 0.00 O ATOM 2562 CB SER B 163 -9.003 -7.045 -6.369 1.00 0.00 C ATOM 2563 OG SER B 163 -9.024 -6.148 -7.460 1.00 0.00 O ATOM 0 H SER B 163 -8.586 -7.060 -3.571 1.00 0.00 H new ATOM 0 HA SER B 163 -6.882 -7.049 -5.977 1.00 0.00 H new ATOM 0 HB2 SER B 163 -8.951 -8.072 -6.731 1.00 0.00 H new ATOM 0 HB3 SER B 163 -9.926 -6.956 -5.795 1.00 0.00 H new ATOM 0 HG SER B 163 -9.887 -5.684 -7.485 1.00 0.00 H new ATOM 2569 N PRO B 164 -6.949 -4.494 -5.982 1.00 0.00 N ATOM 2570 CA PRO B 164 -6.836 -3.051 -5.857 1.00 0.00 C ATOM 2571 C PRO B 164 -8.149 -2.347 -6.212 1.00 0.00 C ATOM 2572 O PRO B 164 -8.227 -1.122 -6.129 1.00 0.00 O ATOM 2573 CB PRO B 164 -5.700 -2.654 -6.801 1.00 0.00 C ATOM 2574 CG PRO B 164 -5.734 -3.744 -7.867 1.00 0.00 C ATOM 2575 CD PRO B 164 -6.109 -4.984 -7.058 1.00 0.00 C ATOM 0 HA PRO B 164 -6.625 -2.750 -4.831 1.00 0.00 H new ATOM 0 HB2 PRO B 164 -5.861 -1.665 -7.231 1.00 0.00 H new ATOM 0 HB3 PRO B 164 -4.740 -2.625 -6.286 1.00 0.00 H new ATOM 0 HG2 PRO B 164 -6.467 -3.529 -8.644 1.00 0.00 H new ATOM 0 HG3 PRO B 164 -4.770 -3.858 -8.362 1.00 0.00 H new ATOM 0 HD2 PRO B 164 -6.640 -5.710 -7.673 1.00 0.00 H new ATOM 0 HD3 PRO B 164 -5.222 -5.484 -6.669 1.00 0.00 H new ATOM 2583 N THR B 165 -9.183 -3.099 -6.605 1.00 0.00 N ATOM 2584 CA THR B 165 -10.478 -2.510 -6.924 1.00 0.00 C ATOM 2585 C THR B 165 -11.235 -2.105 -5.657 1.00 0.00 C ATOM 2586 O THR B 165 -12.064 -1.199 -5.719 1.00 0.00 O ATOM 2587 CB THR B 165 -11.310 -3.479 -7.764 1.00 0.00 C ATOM 2588 OG1 THR B 165 -11.400 -4.734 -7.127 1.00 0.00 O ATOM 2589 CG2 THR B 165 -10.671 -3.662 -9.138 1.00 0.00 C ATOM 0 H THR B 165 -9.144 -4.113 -6.708 1.00 0.00 H new ATOM 0 HA THR B 165 -10.302 -1.605 -7.506 1.00 0.00 H new ATOM 0 HB THR B 165 -12.310 -3.061 -7.876 1.00 0.00 H new ATOM 0 HG1 THR B 165 -11.937 -5.342 -7.677 1.00 0.00 H new ATOM 0 HG21 THR B 165 -11.271 -4.354 -9.729 1.00 0.00 H new ATOM 0 HG22 THR B 165 -10.621 -2.699 -9.647 1.00 0.00 H new ATOM 0 HG23 THR B 165 -9.664 -4.063 -9.021 1.00 0.00 H new