USER MOD reduce.3.24.130724 H: found=0, std=0, add=1008, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 1009 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 Single : A 8 MET CE :methyl 160:sc= -1.52 (180deg=-1.8!) USER MOD Single : A 13 ASN : amide:sc= -0.337 X(o=-0.34,f=-0.33) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.249 K(o=-0.25,f=-1.7!) USER MOD Single : A 27 LYS NZ :NH3+ -131:sc= -1.13 (180deg=-2.97!) USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 36 SER OG : rot 43:sc= 1.13 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 168:sc= -0.411 (180deg=-0.682) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.103 K(o=-0.1,f=-1.4!) USER MOD Single : A 45 TYR OH : rot 44:sc= -0.157 USER MOD Single : A 48 CYS SG : rot 166:sc= -2.06! USER MOD Single : A 52 SER OG : rot 180:sc= 0.0117 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0.083 K(o=0.083,f=-3.6!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= -1.18 X(o=-1.2,f=-1.3) USER MOD Single : A 80 TYR OH : rot -7:sc= -0.0962 USER MOD Single : A 83 TYR OH : rot 101:sc= 0.575 USER MOD Single : A 88 ASN : amide:sc= 0.328 K(o=0.33,f=-2.6) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 165:sc= -0.578! USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 THR OG1 : rot 4:sc= 0.71 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 ASN : amide:sc= -3.44! C(o=-3.4!,f=-15!) USER MOD Single : A 112 ASN : amide:sc= -0.417 X(o=-0.42,f=-0.11) USER MOD Single : A 113 GLN : amide:sc= -0.0155 X(o=-0.016,f=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 MET CE :methyl -133:sc= -3.94! (180deg=-7.55!) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -14.611 4.555 8.092 1.00 0.00 N ATOM 60 CA GLY A 7 -15.006 4.032 6.796 1.00 0.00 C ATOM 61 C GLY A 7 -13.810 3.970 5.842 1.00 0.00 C ATOM 62 O GLY A 7 -12.751 3.460 6.202 1.00 0.00 O ATOM 0 HA2 GLY A 7 -15.432 3.036 6.916 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.785 4.662 6.368 1.00 0.00 H new ATOM 66 N MET A 8 -14.022 4.497 4.644 1.00 0.00 N ATOM 67 CA MET A 8 -12.975 4.508 3.637 1.00 0.00 C ATOM 68 C MET A 8 -12.452 5.927 3.405 1.00 0.00 C ATOM 69 O MET A 8 -11.243 6.145 3.343 1.00 0.00 O ATOM 70 CB MET A 8 -13.525 3.945 2.324 1.00 0.00 C ATOM 71 CG MET A 8 -12.497 4.078 1.199 1.00 0.00 C ATOM 72 SD MET A 8 -11.102 3.012 1.516 1.00 0.00 S ATOM 73 CE MET A 8 -9.766 4.103 1.054 1.00 0.00 C ATOM 0 H MET A 8 -14.903 4.919 4.349 1.00 0.00 H new ATOM 0 HA MET A 8 -12.149 3.890 3.991 1.00 0.00 H new ATOM 0 HB2 MET A 8 -13.791 2.896 2.457 1.00 0.00 H new ATOM 0 HB3 MET A 8 -14.438 4.474 2.052 1.00 0.00 H new ATOM 0 HG2 MET A 8 -12.955 3.817 0.245 1.00 0.00 H new ATOM 0 HG3 MET A 8 -12.164 5.113 1.121 1.00 0.00 H new ATOM 0 HE1 MET A 8 -8.838 3.755 1.508 1.00 0.00 H new ATOM 0 HE2 MET A 8 -9.659 4.108 -0.031 1.00 0.00 H new ATOM 0 HE3 MET A 8 -9.984 5.113 1.402 1.00 0.00 H new ATOM 83 N GLU A 9 -13.389 6.856 3.283 1.00 0.00 N ATOM 84 CA GLU A 9 -13.038 8.248 3.060 1.00 0.00 C ATOM 85 C GLU A 9 -12.198 8.777 4.224 1.00 0.00 C ATOM 86 O GLU A 9 -11.590 9.841 4.122 1.00 0.00 O ATOM 87 CB GLU A 9 -14.291 9.103 2.854 1.00 0.00 C ATOM 88 CG GLU A 9 -14.133 10.022 1.641 1.00 0.00 C ATOM 89 CD GLU A 9 -15.393 10.863 1.424 1.00 0.00 C ATOM 90 OE1 GLU A 9 -15.535 11.870 2.151 1.00 0.00 O ATOM 91 OE2 GLU A 9 -16.185 10.481 0.536 1.00 0.00 O ATOM 0 H GLU A 9 -14.391 6.672 3.334 1.00 0.00 H new ATOM 0 HA GLU A 9 -12.442 8.311 2.150 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -15.158 8.457 2.715 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -14.479 9.701 3.746 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -13.274 10.677 1.786 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -13.932 9.425 0.751 1.00 0.00 H new ATOM 98 N ALA A 10 -12.192 8.009 5.304 1.00 0.00 N ATOM 99 CA ALA A 10 -11.435 8.387 6.487 1.00 0.00 C ATOM 100 C ALA A 10 -9.996 7.886 6.349 1.00 0.00 C ATOM 101 O ALA A 10 -9.050 8.655 6.510 1.00 0.00 O ATOM 102 CB ALA A 10 -12.129 7.834 7.733 1.00 0.00 C ATOM 0 H ALA A 10 -12.699 7.127 5.385 1.00 0.00 H new ATOM 0 HA ALA A 10 -11.397 9.472 6.589 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -11.563 8.117 8.620 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -13.137 8.244 7.800 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -12.183 6.747 7.668 1.00 0.00 H new ATOM 108 N VAL A 11 -9.877 6.601 6.052 1.00 0.00 N ATOM 109 CA VAL A 11 -8.570 5.988 5.890 1.00 0.00 C ATOM 110 C VAL A 11 -7.691 6.893 5.024 1.00 0.00 C ATOM 111 O VAL A 11 -6.574 7.234 5.411 1.00 0.00 O ATOM 112 CB VAL A 11 -8.721 4.577 5.319 1.00 0.00 C ATOM 113 CG1 VAL A 11 -7.390 4.066 4.761 1.00 0.00 C ATOM 114 CG2 VAL A 11 -9.279 3.616 6.370 1.00 0.00 C ATOM 0 H VAL A 11 -10.665 5.967 5.919 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.075 5.882 6.856 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.434 4.624 4.496 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -7.525 3.061 4.361 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -7.050 4.730 3.966 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -6.646 4.043 5.558 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -9.376 2.620 5.937 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -8.602 3.576 7.223 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -10.257 3.965 6.700 1.00 0.00 H new ATOM 124 N LEU A 12 -8.228 7.256 3.869 1.00 0.00 N ATOM 125 CA LEU A 12 -7.506 8.116 2.945 1.00 0.00 C ATOM 126 C LEU A 12 -7.234 9.462 3.616 1.00 0.00 C ATOM 127 O LEU A 12 -6.118 9.978 3.551 1.00 0.00 O ATOM 128 CB LEU A 12 -8.262 8.230 1.620 1.00 0.00 C ATOM 129 CG LEU A 12 -7.396 8.374 0.365 1.00 0.00 C ATOM 130 CD1 LEU A 12 -6.266 7.344 0.359 1.00 0.00 C ATOM 131 CD2 LEU A 12 -8.250 8.297 -0.901 1.00 0.00 C ATOM 0 H LEU A 12 -9.154 6.971 3.551 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.537 7.682 2.697 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.890 7.346 1.505 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.929 9.090 1.678 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.932 9.360 0.380 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.666 7.468 -0.543 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.636 7.490 1.237 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -6.689 6.340 0.378 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -7.611 8.402 -1.778 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -8.761 7.335 -0.937 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.988 9.099 -0.892 1.00 0.00 H new ATOM 143 N ASN A 13 -8.271 9.995 4.246 1.00 0.00 N ATOM 144 CA ASN A 13 -8.156 11.274 4.929 1.00 0.00 C ATOM 145 C ASN A 13 -7.027 11.198 5.958 1.00 0.00 C ATOM 146 O ASN A 13 -5.998 11.854 5.806 1.00 0.00 O ATOM 147 CB ASN A 13 -9.449 11.619 5.670 1.00 0.00 C ATOM 148 CG ASN A 13 -10.258 12.666 4.901 1.00 0.00 C ATOM 149 OD1 ASN A 13 -10.494 13.769 5.366 1.00 0.00 O ATOM 150 ND2 ASN A 13 -10.670 12.260 3.704 1.00 0.00 N ATOM 0 H ASN A 13 -9.195 9.565 4.298 1.00 0.00 H new ATOM 0 HA ASN A 13 -7.953 12.040 4.180 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -10.047 10.718 5.804 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -9.213 11.995 6.665 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -11.219 12.886 3.114 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -10.437 11.323 3.375 1.00 0.00 H new ATOM 157 N GLU A 14 -7.257 10.391 6.984 1.00 0.00 N ATOM 158 CA GLU A 14 -6.272 10.221 8.038 1.00 0.00 C ATOM 159 C GLU A 14 -4.883 10.003 7.436 1.00 0.00 C ATOM 160 O GLU A 14 -4.677 9.068 6.664 1.00 0.00 O ATOM 161 CB GLU A 14 -6.655 9.067 8.966 1.00 0.00 C ATOM 162 CG GLU A 14 -6.525 9.477 10.434 1.00 0.00 C ATOM 163 CD GLU A 14 -6.051 8.301 11.292 1.00 0.00 C ATOM 164 OE1 GLU A 14 -4.876 7.912 11.119 1.00 0.00 O ATOM 165 OE2 GLU A 14 -6.875 7.820 12.100 1.00 0.00 O ATOM 0 H GLU A 14 -8.112 9.848 7.107 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.248 11.132 8.636 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.679 8.756 8.761 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -6.015 8.208 8.767 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.821 10.304 10.523 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.486 9.836 10.802 1.00 0.00 H new ATOM 172 N LEU A 15 -3.965 10.882 7.812 1.00 0.00 N ATOM 173 CA LEU A 15 -2.601 10.799 7.318 1.00 0.00 C ATOM 174 C LEU A 15 -1.737 10.061 8.344 1.00 0.00 C ATOM 175 O LEU A 15 -1.899 10.251 9.549 1.00 0.00 O ATOM 176 CB LEU A 15 -2.075 12.188 6.957 1.00 0.00 C ATOM 177 CG LEU A 15 -2.987 13.042 6.072 1.00 0.00 C ATOM 178 CD1 LEU A 15 -2.531 14.502 6.063 1.00 0.00 C ATOM 179 CD2 LEU A 15 -3.079 12.461 4.660 1.00 0.00 C ATOM 0 H LEU A 15 -4.140 11.656 8.453 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.565 10.222 6.394 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.884 12.734 7.881 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.116 12.072 6.451 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.991 13.022 6.495 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.196 15.087 5.427 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.559 14.898 7.078 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.513 14.563 5.677 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.733 13.086 4.051 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.085 12.432 4.213 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.485 11.451 4.708 1.00 0.00 H new ATOM 191 N VAL A 16 -0.839 9.235 7.829 1.00 0.00 N ATOM 192 CA VAL A 16 0.050 8.468 8.684 1.00 0.00 C ATOM 193 C VAL A 16 0.908 9.428 9.512 1.00 0.00 C ATOM 194 O VAL A 16 1.256 10.513 9.046 1.00 0.00 O ATOM 195 CB VAL A 16 0.882 7.499 7.841 1.00 0.00 C ATOM 196 CG1 VAL A 16 2.072 8.215 7.197 1.00 0.00 C ATOM 197 CG2 VAL A 16 1.348 6.306 8.677 1.00 0.00 C ATOM 0 H VAL A 16 -0.708 9.080 6.829 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.524 7.859 9.382 1.00 0.00 H new ATOM 0 HB VAL A 16 0.246 7.120 7.041 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.647 7.504 6.604 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.709 9.016 6.553 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.708 8.636 7.976 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.937 5.633 8.054 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.959 6.660 9.507 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.480 5.774 9.067 1.00 0.00 H new ATOM 207 N SER A 17 1.224 8.995 10.723 1.00 0.00 N ATOM 208 CA SER A 17 2.034 9.803 11.619 1.00 0.00 C ATOM 209 C SER A 17 3.518 9.508 11.392 1.00 0.00 C ATOM 210 O SER A 17 3.914 8.349 11.276 1.00 0.00 O ATOM 211 CB SER A 17 1.661 9.546 13.081 1.00 0.00 C ATOM 212 OG SER A 17 0.249 9.480 13.268 1.00 0.00 O ATOM 0 H SER A 17 0.934 8.095 11.105 1.00 0.00 H new ATOM 0 HA SER A 17 1.841 10.853 11.401 1.00 0.00 H new ATOM 0 HB2 SER A 17 2.115 8.612 13.412 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.073 10.339 13.705 1.00 0.00 H new ATOM 0 HG SER A 17 0.052 9.313 14.213 1.00 0.00 H new ATOM 218 N VAL A 18 4.298 10.577 11.333 1.00 0.00 N ATOM 219 CA VAL A 18 5.730 10.448 11.121 1.00 0.00 C ATOM 220 C VAL A 18 6.311 9.489 12.163 1.00 0.00 C ATOM 221 O VAL A 18 7.043 8.562 11.818 1.00 0.00 O ATOM 222 CB VAL A 18 6.389 11.828 11.146 1.00 0.00 C ATOM 223 CG1 VAL A 18 7.903 11.716 10.957 1.00 0.00 C ATOM 224 CG2 VAL A 18 5.772 12.749 10.092 1.00 0.00 C ATOM 0 H VAL A 18 3.966 11.537 11.428 1.00 0.00 H new ATOM 0 HA VAL A 18 5.934 10.023 10.138 1.00 0.00 H new ATOM 0 HB VAL A 18 6.205 12.269 12.126 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.347 12.711 10.979 1.00 0.00 H new ATOM 0 HG12 VAL A 18 8.326 11.112 11.760 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.116 11.245 9.998 1.00 0.00 H new ATOM 0 HG21 VAL A 18 6.258 13.724 10.131 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.911 12.314 9.102 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.707 12.867 10.291 1.00 0.00 H new ATOM 234 N GLU A 19 5.963 9.746 13.415 1.00 0.00 N ATOM 235 CA GLU A 19 6.441 8.917 14.509 1.00 0.00 C ATOM 236 C GLU A 19 6.407 7.440 14.111 1.00 0.00 C ATOM 237 O GLU A 19 7.413 6.741 14.216 1.00 0.00 O ATOM 238 CB GLU A 19 5.625 9.161 15.779 1.00 0.00 C ATOM 239 CG GLU A 19 6.512 9.090 17.024 1.00 0.00 C ATOM 240 CD GLU A 19 6.804 7.637 17.407 1.00 0.00 C ATOM 241 OE1 GLU A 19 5.843 6.839 17.374 1.00 0.00 O ATOM 242 OE2 GLU A 19 7.981 7.360 17.723 1.00 0.00 O ATOM 0 H GLU A 19 5.356 10.516 13.696 1.00 0.00 H new ATOM 0 HA GLU A 19 7.474 9.192 14.722 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.146 10.138 15.725 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.829 8.419 15.852 1.00 0.00 H new ATOM 0 HG2 GLU A 19 7.448 9.616 16.838 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.021 9.597 17.854 1.00 0.00 H new ATOM 249 N ASP A 20 5.237 7.008 13.661 1.00 0.00 N ATOM 250 CA ASP A 20 5.058 5.628 13.246 1.00 0.00 C ATOM 251 C ASP A 20 5.811 5.391 11.936 1.00 0.00 C ATOM 252 O ASP A 20 6.477 4.369 11.774 1.00 0.00 O ATOM 253 CB ASP A 20 3.580 5.312 13.006 1.00 0.00 C ATOM 254 CG ASP A 20 2.898 4.519 14.122 1.00 0.00 C ATOM 255 OD1 ASP A 20 3.444 4.538 15.246 1.00 0.00 O ATOM 256 OD2 ASP A 20 1.847 3.912 13.826 1.00 0.00 O ATOM 0 H ASP A 20 4.404 7.590 13.575 1.00 0.00 H new ATOM 0 HA ASP A 20 5.440 4.986 14.040 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.042 6.249 12.866 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.490 4.751 12.076 1.00 0.00 H new ATOM 261 N LEU A 21 5.681 6.353 11.033 1.00 0.00 N ATOM 262 CA LEU A 21 6.341 6.262 9.742 1.00 0.00 C ATOM 263 C LEU A 21 7.808 5.877 9.951 1.00 0.00 C ATOM 264 O LEU A 21 8.297 4.929 9.337 1.00 0.00 O ATOM 265 CB LEU A 21 6.153 7.558 8.952 1.00 0.00 C ATOM 266 CG LEU A 21 6.564 7.511 7.479 1.00 0.00 C ATOM 267 CD1 LEU A 21 8.053 7.193 7.336 1.00 0.00 C ATOM 268 CD2 LEU A 21 5.690 6.530 6.696 1.00 0.00 C ATOM 0 H LEU A 21 5.128 7.199 11.171 1.00 0.00 H new ATOM 0 HA LEU A 21 5.887 5.478 9.136 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.103 7.844 9.007 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.724 8.346 9.443 1.00 0.00 H new ATOM 0 HG LEU A 21 6.403 8.499 7.048 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.319 7.165 6.279 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.639 7.963 7.838 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.263 6.224 7.789 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.004 6.516 5.652 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.795 5.531 7.120 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.648 6.842 6.757 1.00 0.00 H new ATOM 280 N LYS A 22 8.467 6.631 10.818 1.00 0.00 N ATOM 281 CA LYS A 22 9.868 6.380 11.114 1.00 0.00 C ATOM 282 C LYS A 22 10.000 5.038 11.837 1.00 0.00 C ATOM 283 O LYS A 22 10.796 4.190 11.438 1.00 0.00 O ATOM 284 CB LYS A 22 10.471 7.556 11.885 1.00 0.00 C ATOM 285 CG LYS A 22 10.535 8.810 11.011 1.00 0.00 C ATOM 286 CD LYS A 22 11.956 9.047 10.495 1.00 0.00 C ATOM 287 CE LYS A 22 11.948 9.955 9.264 1.00 0.00 C ATOM 288 NZ LYS A 22 12.669 11.216 9.546 1.00 0.00 N ATOM 0 H LYS A 22 8.058 7.416 11.325 1.00 0.00 H new ATOM 0 HA LYS A 22 10.445 6.303 10.192 1.00 0.00 H new ATOM 0 HB2 LYS A 22 9.873 7.758 12.774 1.00 0.00 H new ATOM 0 HB3 LYS A 22 11.473 7.296 12.227 1.00 0.00 H new ATOM 0 HG2 LYS A 22 9.851 8.706 10.169 1.00 0.00 H new ATOM 0 HG3 LYS A 22 10.204 9.675 11.585 1.00 0.00 H new ATOM 0 HD2 LYS A 22 12.561 9.499 11.281 1.00 0.00 H new ATOM 0 HD3 LYS A 22 12.420 8.093 10.244 1.00 0.00 H new ATOM 0 HE2 LYS A 22 12.415 9.442 8.423 1.00 0.00 H new ATOM 0 HE3 LYS A 22 10.921 10.174 8.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 12.654 11.821 8.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 12.206 11.712 10.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 13.654 11.003 9.802 1.00 0.00 H new ATOM 302 N ASN A 23 9.205 4.887 12.886 1.00 0.00 N ATOM 303 CA ASN A 23 9.223 3.663 13.668 1.00 0.00 C ATOM 304 C ASN A 23 9.131 2.461 12.726 1.00 0.00 C ATOM 305 O ASN A 23 9.904 1.511 12.849 1.00 0.00 O ATOM 306 CB ASN A 23 8.032 3.604 14.627 1.00 0.00 C ATOM 307 CG ASN A 23 8.497 3.348 16.063 1.00 0.00 C ATOM 308 OD1 ASN A 23 9.595 2.882 16.313 1.00 0.00 O ATOM 309 ND2 ASN A 23 7.601 3.680 16.988 1.00 0.00 N ATOM 0 H ASN A 23 8.544 5.592 13.213 1.00 0.00 H new ATOM 0 HA ASN A 23 10.149 3.643 14.242 1.00 0.00 H new ATOM 0 HB2 ASN A 23 7.477 4.541 14.582 1.00 0.00 H new ATOM 0 HB3 ASN A 23 7.349 2.814 14.316 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.816 3.549 17.976 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.699 4.066 16.709 1.00 0.00 H new ATOM 316 N PHE A 24 8.178 2.539 11.809 1.00 0.00 N ATOM 317 CA PHE A 24 7.975 1.470 10.847 1.00 0.00 C ATOM 318 C PHE A 24 9.086 1.458 9.796 1.00 0.00 C ATOM 319 O PHE A 24 9.610 0.400 9.451 1.00 0.00 O ATOM 320 CB PHE A 24 6.636 1.737 10.156 1.00 0.00 C ATOM 321 CG PHE A 24 5.430 1.131 10.877 1.00 0.00 C ATOM 322 CD1 PHE A 24 5.325 1.233 12.229 1.00 0.00 C ATOM 323 CD2 PHE A 24 4.465 0.491 10.166 1.00 0.00 C ATOM 324 CE1 PHE A 24 4.206 0.671 12.898 1.00 0.00 C ATOM 325 CE2 PHE A 24 3.346 -0.071 10.835 1.00 0.00 C ATOM 326 CZ PHE A 24 3.240 0.030 12.187 1.00 0.00 C ATOM 0 H PHE A 24 7.537 3.327 11.712 1.00 0.00 H new ATOM 0 HA PHE A 24 7.984 0.506 11.356 1.00 0.00 H new ATOM 0 HB2 PHE A 24 6.492 2.814 10.071 1.00 0.00 H new ATOM 0 HB3 PHE A 24 6.677 1.340 9.142 1.00 0.00 H new ATOM 0 HD1 PHE A 24 6.093 1.741 12.794 1.00 0.00 H new ATOM 0 HD2 PHE A 24 4.549 0.410 9.092 1.00 0.00 H new ATOM 0 HE1 PHE A 24 4.122 0.753 13.972 1.00 0.00 H new ATOM 0 HE2 PHE A 24 2.579 -0.579 10.270 1.00 0.00 H new ATOM 0 HZ PHE A 24 2.389 -0.399 12.696 1.00 0.00 H new ATOM 336 N GLU A 25 9.412 2.649 9.315 1.00 0.00 N ATOM 337 CA GLU A 25 10.452 2.790 8.309 1.00 0.00 C ATOM 338 C GLU A 25 11.773 2.219 8.828 1.00 0.00 C ATOM 339 O GLU A 25 12.447 1.469 8.124 1.00 0.00 O ATOM 340 CB GLU A 25 10.614 4.252 7.890 1.00 0.00 C ATOM 341 CG GLU A 25 12.010 4.507 7.319 1.00 0.00 C ATOM 342 CD GLU A 25 12.147 5.951 6.827 1.00 0.00 C ATOM 343 OE1 GLU A 25 11.381 6.310 5.907 1.00 0.00 O ATOM 344 OE2 GLU A 25 13.012 6.660 7.382 1.00 0.00 O ATOM 0 H GLU A 25 8.975 3.525 9.603 1.00 0.00 H new ATOM 0 HA GLU A 25 10.156 2.224 7.426 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.860 4.506 7.145 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.444 4.901 8.749 1.00 0.00 H new ATOM 0 HG2 GLU A 25 12.761 4.307 8.083 1.00 0.00 H new ATOM 0 HG3 GLU A 25 12.201 3.819 6.496 1.00 0.00 H new ATOM 351 N ARG A 26 12.103 2.596 10.054 1.00 0.00 N ATOM 352 CA ARG A 26 13.332 2.131 10.676 1.00 0.00 C ATOM 353 C ARG A 26 13.281 0.615 10.883 1.00 0.00 C ATOM 354 O ARG A 26 14.276 -0.077 10.672 1.00 0.00 O ATOM 355 CB ARG A 26 13.561 2.815 12.024 1.00 0.00 C ATOM 356 CG ARG A 26 14.156 1.838 13.041 1.00 0.00 C ATOM 357 CD ARG A 26 14.800 2.588 14.208 1.00 0.00 C ATOM 358 NE ARG A 26 16.228 2.849 13.916 1.00 0.00 N ATOM 359 CZ ARG A 26 17.187 1.914 13.961 1.00 0.00 C ATOM 360 NH1 ARG A 26 16.878 0.653 14.286 1.00 0.00 N ATOM 361 NH2 ARG A 26 18.456 2.242 13.680 1.00 0.00 N ATOM 0 H ARG A 26 11.541 3.219 10.634 1.00 0.00 H new ATOM 0 HA ARG A 26 14.157 2.383 10.009 1.00 0.00 H new ATOM 0 HB2 ARG A 26 14.232 3.665 11.895 1.00 0.00 H new ATOM 0 HB3 ARG A 26 12.617 3.208 12.401 1.00 0.00 H new ATOM 0 HG2 ARG A 26 13.375 1.177 13.416 1.00 0.00 H new ATOM 0 HG3 ARG A 26 14.900 1.208 12.554 1.00 0.00 H new ATOM 0 HD2 ARG A 26 14.277 3.529 14.379 1.00 0.00 H new ATOM 0 HD3 ARG A 26 14.709 2.002 15.122 1.00 0.00 H new ATOM 0 HE ARG A 26 16.499 3.800 13.665 1.00 0.00 H new ATOM 0 HH11 ARG A 26 15.912 0.403 14.500 1.00 0.00 H new ATOM 0 HH12 ARG A 26 17.608 -0.058 14.320 1.00 0.00 H new ATOM 0 HH21 ARG A 26 18.691 3.203 13.432 1.00 0.00 H new ATOM 0 HH22 ARG A 26 19.186 1.531 13.714 1.00 0.00 H new ATOM 375 N LYS A 27 12.112 0.145 11.292 1.00 0.00 N ATOM 376 CA LYS A 27 11.919 -1.275 11.530 1.00 0.00 C ATOM 377 C LYS A 27 12.231 -2.050 10.248 1.00 0.00 C ATOM 378 O LYS A 27 12.994 -3.014 10.272 1.00 0.00 O ATOM 379 CB LYS A 27 10.516 -1.540 12.082 1.00 0.00 C ATOM 380 CG LYS A 27 10.585 -2.290 13.414 1.00 0.00 C ATOM 381 CD LYS A 27 10.326 -1.345 14.590 1.00 0.00 C ATOM 382 CE LYS A 27 11.584 -1.172 15.441 1.00 0.00 C ATOM 383 NZ LYS A 27 12.184 0.162 15.214 1.00 0.00 N ATOM 0 H LYS A 27 11.289 0.722 11.465 1.00 0.00 H new ATOM 0 HA LYS A 27 12.610 -1.630 12.294 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.991 -0.595 12.219 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.942 -2.122 11.362 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.850 -3.095 13.421 1.00 0.00 H new ATOM 0 HG3 LYS A 27 11.566 -2.753 13.524 1.00 0.00 H new ATOM 0 HD2 LYS A 27 9.999 -0.375 14.216 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.517 -1.738 15.206 1.00 0.00 H new ATOM 0 HE2 LYS A 27 11.336 -1.291 16.496 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.307 -1.949 15.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 13.202 0.058 15.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 11.729 0.613 14.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 12.043 0.754 16.057 1.00 0.00 H new ATOM 397 N PHE A 28 11.625 -1.599 9.160 1.00 0.00 N ATOM 398 CA PHE A 28 11.830 -2.237 7.871 1.00 0.00 C ATOM 399 C PHE A 28 13.293 -2.139 7.436 1.00 0.00 C ATOM 400 O PHE A 28 13.947 -3.156 7.211 1.00 0.00 O ATOM 401 CB PHE A 28 10.957 -1.491 6.859 1.00 0.00 C ATOM 402 CG PHE A 28 11.052 -2.038 5.433 1.00 0.00 C ATOM 403 CD1 PHE A 28 10.874 -3.367 5.202 1.00 0.00 C ATOM 404 CD2 PHE A 28 11.312 -1.197 4.397 1.00 0.00 C ATOM 405 CE1 PHE A 28 10.961 -3.875 3.879 1.00 0.00 C ATOM 406 CE2 PHE A 28 11.399 -1.705 3.074 1.00 0.00 C ATOM 407 CZ PHE A 28 11.222 -3.033 2.843 1.00 0.00 C ATOM 0 H PHE A 28 10.992 -0.799 9.144 1.00 0.00 H new ATOM 0 HA PHE A 28 11.569 -3.293 7.933 1.00 0.00 H new ATOM 0 HB2 PHE A 28 9.918 -1.537 7.187 1.00 0.00 H new ATOM 0 HB3 PHE A 28 11.243 -0.439 6.854 1.00 0.00 H new ATOM 0 HD1 PHE A 28 10.667 -4.035 6.025 1.00 0.00 H new ATOM 0 HD2 PHE A 28 11.452 -0.142 4.580 1.00 0.00 H new ATOM 0 HE1 PHE A 28 10.820 -4.930 3.695 1.00 0.00 H new ATOM 0 HE2 PHE A 28 11.606 -1.037 2.251 1.00 0.00 H new ATOM 0 HZ PHE A 28 11.289 -3.420 1.837 1.00 0.00 H new ATOM 417 N GLN A 29 13.764 -0.905 7.330 1.00 0.00 N ATOM 418 CA GLN A 29 15.138 -0.661 6.926 1.00 0.00 C ATOM 419 C GLN A 29 16.104 -1.389 7.863 1.00 0.00 C ATOM 420 O GLN A 29 16.946 -2.165 7.412 1.00 0.00 O ATOM 421 CB GLN A 29 15.440 0.838 6.884 1.00 0.00 C ATOM 422 CG GLN A 29 14.618 1.532 5.797 1.00 0.00 C ATOM 423 CD GLN A 29 15.117 2.959 5.558 1.00 0.00 C ATOM 424 OE1 GLN A 29 15.940 3.486 6.290 1.00 0.00 O ATOM 425 NE2 GLN A 29 14.574 3.554 4.500 1.00 0.00 N ATOM 0 H GLN A 29 13.218 -0.064 7.517 1.00 0.00 H new ATOM 0 HA GLN A 29 15.275 -1.054 5.918 1.00 0.00 H new ATOM 0 HB2 GLN A 29 15.219 1.285 7.853 1.00 0.00 H new ATOM 0 HB3 GLN A 29 16.502 0.994 6.697 1.00 0.00 H new ATOM 0 HG2 GLN A 29 14.679 0.962 4.870 1.00 0.00 H new ATOM 0 HG3 GLN A 29 13.568 1.554 6.089 1.00 0.00 H new ATOM 0 HE21 GLN A 29 13.891 3.056 3.929 1.00 0.00 H new ATOM 0 HE22 GLN A 29 14.841 4.509 4.259 1.00 0.00 H new ATOM 434 N SER A 30 15.951 -1.112 9.149 1.00 0.00 N ATOM 435 CA SER A 30 16.800 -1.730 10.154 1.00 0.00 C ATOM 436 C SER A 30 16.862 -3.242 9.928 1.00 0.00 C ATOM 437 O SER A 30 17.887 -3.871 10.187 1.00 0.00 O ATOM 438 CB SER A 30 16.295 -1.424 11.566 1.00 0.00 C ATOM 439 OG SER A 30 17.141 -1.982 12.568 1.00 0.00 O ATOM 0 H SER A 30 15.252 -0.468 9.519 1.00 0.00 H new ATOM 0 HA SER A 30 17.803 -1.313 10.058 1.00 0.00 H new ATOM 0 HB2 SER A 30 16.234 -0.344 11.703 1.00 0.00 H new ATOM 0 HB3 SER A 30 15.285 -1.818 11.683 1.00 0.00 H new ATOM 0 HG SER A 30 16.786 -1.763 13.455 1.00 0.00 H new ATOM 445 N GLU A 31 15.751 -3.782 9.449 1.00 0.00 N ATOM 446 CA GLU A 31 15.665 -5.208 9.185 1.00 0.00 C ATOM 447 C GLU A 31 16.113 -5.511 7.754 1.00 0.00 C ATOM 448 O GLU A 31 16.522 -6.632 7.452 1.00 0.00 O ATOM 449 CB GLU A 31 14.250 -5.729 9.439 1.00 0.00 C ATOM 450 CG GLU A 31 13.868 -5.583 10.913 1.00 0.00 C ATOM 451 CD GLU A 31 14.520 -6.679 11.760 1.00 0.00 C ATOM 452 OE1 GLU A 31 15.714 -6.506 12.089 1.00 0.00 O ATOM 453 OE2 GLU A 31 13.811 -7.663 12.059 1.00 0.00 O ATOM 0 H GLU A 31 14.902 -3.257 9.237 1.00 0.00 H new ATOM 0 HA GLU A 31 16.335 -5.725 9.872 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.540 -5.181 8.820 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.186 -6.777 9.145 1.00 0.00 H new ATOM 0 HG2 GLU A 31 14.178 -4.604 11.278 1.00 0.00 H new ATOM 0 HG3 GLU A 31 12.784 -5.633 11.018 1.00 0.00 H new ATOM 460 N GLN A 32 16.019 -4.494 6.911 1.00 0.00 N ATOM 461 CA GLN A 32 16.409 -4.637 5.519 1.00 0.00 C ATOM 462 C GLN A 32 17.934 -4.662 5.394 1.00 0.00 C ATOM 463 O GLN A 32 18.506 -5.645 4.924 1.00 0.00 O ATOM 464 CB GLN A 32 15.807 -3.521 4.662 1.00 0.00 C ATOM 465 CG GLN A 32 15.469 -4.028 3.260 1.00 0.00 C ATOM 466 CD GLN A 32 14.722 -2.961 2.457 1.00 0.00 C ATOM 467 OE1 GLN A 32 14.545 -1.833 2.887 1.00 0.00 O ATOM 468 NE2 GLN A 32 14.293 -3.380 1.269 1.00 0.00 N ATOM 0 H GLN A 32 15.678 -3.567 7.165 1.00 0.00 H new ATOM 0 HA GLN A 32 16.018 -5.585 5.149 1.00 0.00 H new ATOM 0 HB2 GLN A 32 14.906 -3.136 5.140 1.00 0.00 H new ATOM 0 HB3 GLN A 32 16.510 -2.691 4.593 1.00 0.00 H new ATOM 0 HG2 GLN A 32 16.385 -4.305 2.739 1.00 0.00 H new ATOM 0 HG3 GLN A 32 14.858 -4.928 3.332 1.00 0.00 H new ATOM 0 HE21 GLN A 32 14.475 -4.338 0.970 1.00 0.00 H new ATOM 0 HE22 GLN A 32 13.782 -2.743 0.658 1.00 0.00 H new ATOM 477 N ALA A 33 18.548 -3.570 5.824 1.00 0.00 N ATOM 478 CA ALA A 33 19.996 -3.455 5.766 1.00 0.00 C ATOM 479 C ALA A 33 20.623 -4.484 6.708 1.00 0.00 C ATOM 480 O ALA A 33 21.810 -4.787 6.599 1.00 0.00 O ATOM 481 CB ALA A 33 20.407 -2.022 6.111 1.00 0.00 C ATOM 0 H ALA A 33 18.070 -2.757 6.214 1.00 0.00 H new ATOM 0 HA ALA A 33 20.359 -3.666 4.760 1.00 0.00 H new ATOM 0 HB1 ALA A 33 21.493 -1.934 6.068 1.00 0.00 H new ATOM 0 HB2 ALA A 33 19.959 -1.333 5.396 1.00 0.00 H new ATOM 0 HB3 ALA A 33 20.063 -1.777 7.116 1.00 0.00 H new ATOM 487 N ALA A 34 19.798 -4.994 7.609 1.00 0.00 N ATOM 488 CA ALA A 34 20.257 -5.983 8.570 1.00 0.00 C ATOM 489 C ALA A 34 20.680 -7.252 7.825 1.00 0.00 C ATOM 490 O ALA A 34 21.546 -7.991 8.292 1.00 0.00 O ATOM 491 CB ALA A 34 19.154 -6.250 9.596 1.00 0.00 C ATOM 0 H ALA A 34 18.814 -4.741 7.695 1.00 0.00 H new ATOM 0 HA ALA A 34 21.126 -5.614 9.115 1.00 0.00 H new ATOM 0 HB1 ALA A 34 19.499 -6.992 10.316 1.00 0.00 H new ATOM 0 HB2 ALA A 34 18.910 -5.324 10.117 1.00 0.00 H new ATOM 0 HB3 ALA A 34 18.266 -6.624 9.087 1.00 0.00 H new ATOM 497 N GLY A 35 20.049 -7.466 6.679 1.00 0.00 N ATOM 498 CA GLY A 35 20.349 -8.632 5.867 1.00 0.00 C ATOM 499 C GLY A 35 19.065 -9.297 5.367 1.00 0.00 C ATOM 500 O GLY A 35 19.103 -10.127 4.461 1.00 0.00 O ATOM 0 H GLY A 35 19.332 -6.851 6.294 1.00 0.00 H new ATOM 0 HA2 GLY A 35 20.966 -8.339 5.017 1.00 0.00 H new ATOM 0 HA3 GLY A 35 20.929 -9.347 6.451 1.00 0.00 H new ATOM 504 N SER A 36 17.957 -8.907 5.981 1.00 0.00 N ATOM 505 CA SER A 36 16.664 -9.455 5.610 1.00 0.00 C ATOM 506 C SER A 36 15.601 -9.015 6.618 1.00 0.00 C ATOM 507 O SER A 36 15.861 -8.966 7.819 1.00 0.00 O ATOM 508 CB SER A 36 16.716 -10.982 5.526 1.00 0.00 C ATOM 509 OG SER A 36 17.042 -11.433 4.215 1.00 0.00 O ATOM 0 H SER A 36 17.929 -8.218 6.733 1.00 0.00 H new ATOM 0 HA SER A 36 16.401 -9.073 4.624 1.00 0.00 H new ATOM 0 HB2 SER A 36 17.455 -11.359 6.233 1.00 0.00 H new ATOM 0 HB3 SER A 36 15.751 -11.395 5.822 1.00 0.00 H new ATOM 0 HG SER A 36 17.761 -10.878 3.847 1.00 0.00 H new ATOM 515 N VAL A 37 14.424 -8.706 6.093 1.00 0.00 N ATOM 516 CA VAL A 37 13.321 -8.271 6.932 1.00 0.00 C ATOM 517 C VAL A 37 12.070 -9.080 6.581 1.00 0.00 C ATOM 518 O VAL A 37 11.917 -9.532 5.447 1.00 0.00 O ATOM 519 CB VAL A 37 13.116 -6.762 6.788 1.00 0.00 C ATOM 520 CG1 VAL A 37 13.128 -6.344 5.316 1.00 0.00 C ATOM 521 CG2 VAL A 37 11.824 -6.316 7.475 1.00 0.00 C ATOM 0 H VAL A 37 14.211 -8.748 5.096 1.00 0.00 H new ATOM 0 HA VAL A 37 13.545 -8.456 7.983 1.00 0.00 H new ATOM 0 HB VAL A 37 13.948 -6.262 7.284 1.00 0.00 H new ATOM 0 HG11 VAL A 37 12.980 -5.267 5.243 1.00 0.00 H new ATOM 0 HG12 VAL A 37 14.086 -6.610 4.870 1.00 0.00 H new ATOM 0 HG13 VAL A 37 12.326 -6.857 4.785 1.00 0.00 H new ATOM 0 HG21 VAL A 37 11.702 -5.239 7.358 1.00 0.00 H new ATOM 0 HG22 VAL A 37 10.975 -6.828 7.022 1.00 0.00 H new ATOM 0 HG23 VAL A 37 11.872 -6.562 8.536 1.00 0.00 H new ATOM 531 N SER A 38 11.208 -9.237 7.574 1.00 0.00 N ATOM 532 CA SER A 38 9.976 -9.983 7.384 1.00 0.00 C ATOM 533 C SER A 38 9.039 -9.218 6.446 1.00 0.00 C ATOM 534 O SER A 38 9.321 -8.080 6.076 1.00 0.00 O ATOM 535 CB SER A 38 9.282 -10.252 8.722 1.00 0.00 C ATOM 536 OG SER A 38 9.856 -11.363 9.407 1.00 0.00 O ATOM 0 H SER A 38 11.338 -8.860 8.513 1.00 0.00 H new ATOM 0 HA SER A 38 10.225 -10.944 6.934 1.00 0.00 H new ATOM 0 HB2 SER A 38 9.350 -9.364 9.351 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.222 -10.440 8.549 1.00 0.00 H new ATOM 0 HG SER A 38 9.387 -11.501 10.256 1.00 0.00 H new ATOM 542 N LYS A 39 7.944 -9.874 6.091 1.00 0.00 N ATOM 543 CA LYS A 39 6.965 -9.270 5.203 1.00 0.00 C ATOM 544 C LYS A 39 6.150 -8.234 5.981 1.00 0.00 C ATOM 545 O LYS A 39 6.025 -7.087 5.551 1.00 0.00 O ATOM 546 CB LYS A 39 6.111 -10.348 4.534 1.00 0.00 C ATOM 547 CG LYS A 39 6.986 -11.350 3.779 1.00 0.00 C ATOM 548 CD LYS A 39 6.740 -11.267 2.271 1.00 0.00 C ATOM 549 CE LYS A 39 7.858 -10.491 1.573 1.00 0.00 C ATOM 550 NZ LYS A 39 9.039 -11.359 1.368 1.00 0.00 N ATOM 0 H LYS A 39 7.713 -10.818 6.402 1.00 0.00 H new ATOM 0 HA LYS A 39 7.462 -8.741 4.390 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.522 -10.870 5.288 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.406 -9.883 3.844 1.00 0.00 H new ATOM 0 HG2 LYS A 39 8.037 -11.152 3.991 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.774 -12.360 4.130 1.00 0.00 H new ATOM 0 HD2 LYS A 39 6.675 -12.272 1.854 1.00 0.00 H new ATOM 0 HD3 LYS A 39 5.783 -10.781 2.082 1.00 0.00 H new ATOM 0 HE2 LYS A 39 7.504 -10.115 0.613 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.136 -9.624 2.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.706 -10.891 0.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.506 -11.531 2.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 8.737 -12.265 0.957 1.00 0.00 H new ATOM 564 N SER A 40 5.615 -8.675 7.110 1.00 0.00 N ATOM 565 CA SER A 40 4.816 -7.800 7.951 1.00 0.00 C ATOM 566 C SER A 40 5.402 -6.387 7.942 1.00 0.00 C ATOM 567 O SER A 40 4.802 -5.467 7.387 1.00 0.00 O ATOM 568 CB SER A 40 4.738 -8.333 9.383 1.00 0.00 C ATOM 569 OG SER A 40 3.441 -8.833 9.696 1.00 0.00 O ATOM 0 H SER A 40 5.719 -9.627 7.462 1.00 0.00 H new ATOM 0 HA SER A 40 3.804 -7.769 7.548 1.00 0.00 H new ATOM 0 HB2 SER A 40 5.474 -9.126 9.515 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.998 -7.537 10.081 1.00 0.00 H new ATOM 0 HG SER A 40 3.432 -9.166 10.618 1.00 0.00 H new ATOM 575 N THR A 41 6.564 -6.258 8.562 1.00 0.00 N ATOM 576 CA THR A 41 7.237 -4.972 8.632 1.00 0.00 C ATOM 577 C THR A 41 7.249 -4.300 7.258 1.00 0.00 C ATOM 578 O THR A 41 6.954 -3.111 7.142 1.00 0.00 O ATOM 579 CB THR A 41 8.636 -5.201 9.208 1.00 0.00 C ATOM 580 OG1 THR A 41 8.404 -5.473 10.587 1.00 0.00 O ATOM 581 CG2 THR A 41 9.482 -3.926 9.216 1.00 0.00 C ATOM 0 H THR A 41 7.058 -7.023 9.021 1.00 0.00 H new ATOM 0 HA THR A 41 6.707 -4.284 9.291 1.00 0.00 H new ATOM 0 HB THR A 41 9.145 -5.971 8.628 1.00 0.00 H new ATOM 0 HG1 THR A 41 9.259 -5.635 11.037 1.00 0.00 H new ATOM 0 HG21 THR A 41 10.465 -4.144 9.634 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.595 -3.558 8.196 1.00 0.00 H new ATOM 0 HG23 THR A 41 8.990 -3.166 9.823 1.00 0.00 H new ATOM 589 N GLN A 42 7.592 -5.090 6.251 1.00 0.00 N ATOM 590 CA GLN A 42 7.645 -4.587 4.889 1.00 0.00 C ATOM 591 C GLN A 42 6.274 -4.054 4.466 1.00 0.00 C ATOM 592 O GLN A 42 6.143 -2.883 4.110 1.00 0.00 O ATOM 593 CB GLN A 42 8.134 -5.669 3.924 1.00 0.00 C ATOM 594 CG GLN A 42 8.051 -5.187 2.474 1.00 0.00 C ATOM 595 CD GLN A 42 8.857 -6.098 1.547 1.00 0.00 C ATOM 596 OE1 GLN A 42 9.776 -6.788 1.957 1.00 0.00 O ATOM 597 NE2 GLN A 42 8.464 -6.063 0.277 1.00 0.00 N ATOM 0 H GLN A 42 7.836 -6.075 6.351 1.00 0.00 H new ATOM 0 HA GLN A 42 8.359 -3.765 4.854 1.00 0.00 H new ATOM 0 HB2 GLN A 42 9.163 -5.937 4.164 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.533 -6.570 4.047 1.00 0.00 H new ATOM 0 HG2 GLN A 42 7.010 -5.165 2.153 1.00 0.00 H new ATOM 0 HG3 GLN A 42 8.427 -4.166 2.404 1.00 0.00 H new ATOM 0 HE21 GLN A 42 7.687 -5.463 -0.000 1.00 0.00 H new ATOM 0 HE22 GLN A 42 8.940 -6.636 -0.420 1.00 0.00 H new ATOM 606 N PHE A 43 5.288 -4.937 4.521 1.00 0.00 N ATOM 607 CA PHE A 43 3.933 -4.569 4.149 1.00 0.00 C ATOM 608 C PHE A 43 3.438 -3.384 4.980 1.00 0.00 C ATOM 609 O PHE A 43 2.922 -2.411 4.434 1.00 0.00 O ATOM 610 CB PHE A 43 3.046 -5.783 4.433 1.00 0.00 C ATOM 611 CG PHE A 43 1.575 -5.437 4.672 1.00 0.00 C ATOM 612 CD1 PHE A 43 0.861 -4.800 3.707 1.00 0.00 C ATOM 613 CD2 PHE A 43 0.982 -5.766 5.851 1.00 0.00 C ATOM 614 CE1 PHE A 43 -0.505 -4.478 3.929 1.00 0.00 C ATOM 615 CE2 PHE A 43 -0.383 -5.445 6.074 1.00 0.00 C ATOM 616 CZ PHE A 43 -1.097 -4.807 5.108 1.00 0.00 C ATOM 0 H PHE A 43 5.401 -5.906 4.818 1.00 0.00 H new ATOM 0 HA PHE A 43 3.901 -4.279 3.099 1.00 0.00 H new ATOM 0 HB2 PHE A 43 3.114 -6.474 3.593 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.432 -6.306 5.308 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.332 -4.538 2.771 1.00 0.00 H new ATOM 0 HD2 PHE A 43 1.550 -6.272 6.618 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -1.073 -3.972 3.162 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -0.854 -5.707 7.010 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.135 -4.562 5.278 1.00 0.00 H new ATOM 626 N GLU A 44 3.612 -3.507 6.287 1.00 0.00 N ATOM 627 CA GLU A 44 3.189 -2.458 7.200 1.00 0.00 C ATOM 628 C GLU A 44 3.598 -1.087 6.659 1.00 0.00 C ATOM 629 O GLU A 44 2.779 -0.375 6.080 1.00 0.00 O ATOM 630 CB GLU A 44 3.760 -2.687 8.601 1.00 0.00 C ATOM 631 CG GLU A 44 2.942 -3.732 9.363 1.00 0.00 C ATOM 632 CD GLU A 44 2.784 -3.339 10.833 1.00 0.00 C ATOM 633 OE1 GLU A 44 3.805 -3.407 11.551 1.00 0.00 O ATOM 634 OE2 GLU A 44 1.646 -2.980 11.206 1.00 0.00 O ATOM 0 H GLU A 44 4.040 -4.317 6.736 1.00 0.00 H new ATOM 0 HA GLU A 44 2.102 -2.487 7.277 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.797 -3.016 8.526 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.763 -1.748 9.154 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.959 -3.836 8.903 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.431 -4.704 9.293 1.00 0.00 H new ATOM 641 N TYR A 45 4.864 -0.757 6.867 1.00 0.00 N ATOM 642 CA TYR A 45 5.392 0.516 6.407 1.00 0.00 C ATOM 643 C TYR A 45 4.871 0.852 5.008 1.00 0.00 C ATOM 644 O TYR A 45 4.429 1.973 4.759 1.00 0.00 O ATOM 645 CB TYR A 45 6.911 0.346 6.345 1.00 0.00 C ATOM 646 CG TYR A 45 7.636 1.484 5.624 1.00 0.00 C ATOM 647 CD1 TYR A 45 7.636 2.754 6.166 1.00 0.00 C ATOM 648 CD2 TYR A 45 8.290 1.242 4.433 1.00 0.00 C ATOM 649 CE1 TYR A 45 8.319 3.825 5.487 1.00 0.00 C ATOM 650 CE2 TYR A 45 8.971 2.313 3.755 1.00 0.00 C ATOM 651 CZ TYR A 45 8.952 3.553 4.315 1.00 0.00 C ATOM 652 OH TYR A 45 9.597 4.565 3.675 1.00 0.00 O ATOM 0 H TYR A 45 5.540 -1.350 7.348 1.00 0.00 H new ATOM 0 HA TYR A 45 5.089 1.321 7.076 1.00 0.00 H new ATOM 0 HB2 TYR A 45 7.299 0.268 7.361 1.00 0.00 H new ATOM 0 HB3 TYR A 45 7.141 -0.593 5.842 1.00 0.00 H new ATOM 0 HD1 TYR A 45 7.124 2.944 7.098 1.00 0.00 H new ATOM 0 HD2 TYR A 45 8.291 0.248 4.010 1.00 0.00 H new ATOM 0 HE1 TYR A 45 8.328 4.823 5.900 1.00 0.00 H new ATOM 0 HE2 TYR A 45 9.486 2.137 2.822 1.00 0.00 H new ATOM 0 HH TYR A 45 10.108 5.090 4.326 1.00 0.00 H new ATOM 662 N ALA A 46 4.939 -0.139 4.132 1.00 0.00 N ATOM 663 CA ALA A 46 4.480 0.037 2.765 1.00 0.00 C ATOM 664 C ALA A 46 3.079 0.651 2.777 1.00 0.00 C ATOM 665 O ALA A 46 2.759 1.493 1.940 1.00 0.00 O ATOM 666 CB ALA A 46 4.521 -1.306 2.035 1.00 0.00 C ATOM 0 H ALA A 46 5.305 -1.067 4.342 1.00 0.00 H new ATOM 0 HA ALA A 46 5.135 0.721 2.226 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.176 -1.173 1.009 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.543 -1.685 2.028 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.873 -2.018 2.546 1.00 0.00 H new ATOM 672 N TRP A 47 2.280 0.206 3.735 1.00 0.00 N ATOM 673 CA TRP A 47 0.921 0.702 3.868 1.00 0.00 C ATOM 674 C TRP A 47 0.987 2.111 4.458 1.00 0.00 C ATOM 675 O TRP A 47 0.142 2.953 4.158 1.00 0.00 O ATOM 676 CB TRP A 47 0.067 -0.256 4.703 1.00 0.00 C ATOM 677 CG TRP A 47 -1.250 0.349 5.191 1.00 0.00 C ATOM 678 CD1 TRP A 47 -1.729 0.384 6.442 1.00 0.00 C ATOM 679 CD2 TRP A 47 -2.244 1.010 4.381 1.00 0.00 C ATOM 680 NE1 TRP A 47 -2.954 1.016 6.497 1.00 0.00 N ATOM 681 CE2 TRP A 47 -3.277 1.409 5.204 1.00 0.00 C ATOM 682 CE3 TRP A 47 -2.271 1.262 2.998 1.00 0.00 C ATOM 683 CZ2 TRP A 47 -4.412 2.083 4.737 1.00 0.00 C ATOM 684 CZ3 TRP A 47 -3.411 1.937 2.547 1.00 0.00 C ATOM 685 CH2 TRP A 47 -4.460 2.346 3.363 1.00 0.00 C ATOM 0 H TRP A 47 2.548 -0.493 4.427 1.00 0.00 H new ATOM 0 HA TRP A 47 0.433 0.755 2.895 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -0.151 -1.144 4.109 1.00 0.00 H new ATOM 0 HB3 TRP A 47 0.646 -0.584 5.566 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -1.220 -0.031 7.300 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -3.519 1.167 7.333 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -1.474 0.958 2.335 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -5.208 2.384 5.402 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -3.481 2.155 1.492 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -5.307 2.864 2.939 1.00 0.00 H new ATOM 696 N CYS A 48 2.000 2.327 5.284 1.00 0.00 N ATOM 697 CA CYS A 48 2.187 3.620 5.918 1.00 0.00 C ATOM 698 C CYS A 48 2.367 4.671 4.821 1.00 0.00 C ATOM 699 O CYS A 48 1.574 5.606 4.716 1.00 0.00 O ATOM 700 CB CYS A 48 3.365 3.607 6.895 1.00 0.00 C ATOM 701 SG CYS A 48 3.047 2.414 8.244 1.00 0.00 S ATOM 0 H CYS A 48 2.700 1.627 5.529 1.00 0.00 H new ATOM 0 HA CYS A 48 1.309 3.865 6.515 1.00 0.00 H new ATOM 0 HB2 CYS A 48 4.281 3.338 6.369 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.516 4.604 7.309 1.00 0.00 H new ATOM 0 HG CYS A 48 4.153 2.180 8.886 1.00 0.00 H new ATOM 707 N LEU A 49 3.414 4.482 4.031 1.00 0.00 N ATOM 708 CA LEU A 49 3.708 5.402 2.945 1.00 0.00 C ATOM 709 C LEU A 49 2.399 5.835 2.281 1.00 0.00 C ATOM 710 O LEU A 49 1.969 6.977 2.435 1.00 0.00 O ATOM 711 CB LEU A 49 4.713 4.781 1.974 1.00 0.00 C ATOM 712 CG LEU A 49 6.118 4.535 2.530 1.00 0.00 C ATOM 713 CD1 LEU A 49 6.435 5.507 3.668 1.00 0.00 C ATOM 714 CD2 LEU A 49 6.292 3.076 2.956 1.00 0.00 C ATOM 0 H LEU A 49 4.069 3.705 4.121 1.00 0.00 H new ATOM 0 HA LEU A 49 4.186 6.304 3.329 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.311 3.830 1.624 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.797 5.431 1.103 1.00 0.00 H new ATOM 0 HG LEU A 49 6.838 4.725 1.734 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.439 5.311 4.045 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.380 6.531 3.298 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.712 5.373 4.473 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.299 2.929 3.347 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.563 2.833 3.729 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.138 2.425 2.095 1.00 0.00 H new ATOM 726 N VAL A 50 1.802 4.900 1.557 1.00 0.00 N ATOM 727 CA VAL A 50 0.551 5.171 0.870 1.00 0.00 C ATOM 728 C VAL A 50 -0.380 5.950 1.800 1.00 0.00 C ATOM 729 O VAL A 50 -0.973 6.949 1.398 1.00 0.00 O ATOM 730 CB VAL A 50 -0.064 3.864 0.366 1.00 0.00 C ATOM 731 CG1 VAL A 50 0.713 3.318 -0.834 1.00 0.00 C ATOM 732 CG2 VAL A 50 -0.138 2.825 1.489 1.00 0.00 C ATOM 0 H VAL A 50 2.161 3.954 1.431 1.00 0.00 H new ATOM 0 HA VAL A 50 0.726 5.792 -0.008 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.081 4.077 0.037 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.255 2.389 -1.172 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.693 4.048 -1.643 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.746 3.128 -0.543 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.579 1.905 1.105 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.866 2.619 1.861 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.754 3.211 2.302 1.00 0.00 H new ATOM 742 N ARG A 51 -0.478 5.463 3.029 1.00 0.00 N ATOM 743 CA ARG A 51 -1.328 6.101 4.021 1.00 0.00 C ATOM 744 C ARG A 51 -0.886 7.549 4.245 1.00 0.00 C ATOM 745 O ARG A 51 -1.718 8.429 4.460 1.00 0.00 O ATOM 746 CB ARG A 51 -1.279 5.349 5.353 1.00 0.00 C ATOM 747 CG ARG A 51 -2.422 4.337 5.452 1.00 0.00 C ATOM 748 CD ARG A 51 -2.481 3.711 6.847 1.00 0.00 C ATOM 749 NE ARG A 51 -2.283 4.754 7.878 1.00 0.00 N ATOM 750 CZ ARG A 51 -3.265 5.522 8.369 1.00 0.00 C ATOM 751 NH1 ARG A 51 -4.521 5.367 7.927 1.00 0.00 N ATOM 752 NH2 ARG A 51 -2.993 6.444 9.303 1.00 0.00 N ATOM 0 H ARG A 51 0.017 4.635 3.360 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.350 6.083 3.643 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.323 4.834 5.449 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.344 6.058 6.178 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.369 4.830 5.230 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.286 3.556 4.704 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.443 3.220 6.994 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -1.714 2.943 6.943 1.00 0.00 H new ATOM 0 HE ARG A 51 -1.339 4.897 8.238 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -4.729 4.665 7.217 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -5.269 5.951 8.301 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -2.038 6.562 9.641 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -3.741 7.028 9.676 1.00 0.00 H new ATOM 766 N SER A 52 0.422 7.751 4.184 1.00 0.00 N ATOM 767 CA SER A 52 0.984 9.077 4.377 1.00 0.00 C ATOM 768 C SER A 52 0.244 10.092 3.503 1.00 0.00 C ATOM 769 O SER A 52 -0.663 9.728 2.756 1.00 0.00 O ATOM 770 CB SER A 52 2.480 9.093 4.059 1.00 0.00 C ATOM 771 OG SER A 52 3.156 10.157 4.724 1.00 0.00 O ATOM 0 H SER A 52 1.109 7.019 4.004 1.00 0.00 H new ATOM 0 HA SER A 52 0.860 9.351 5.425 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.923 8.142 4.353 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.621 9.191 2.983 1.00 0.00 H new ATOM 0 HG SER A 52 4.109 10.132 4.497 1.00 0.00 H new ATOM 777 N LYS A 53 0.658 11.344 3.626 1.00 0.00 N ATOM 778 CA LYS A 53 0.046 12.414 2.856 1.00 0.00 C ATOM 779 C LYS A 53 0.906 12.706 1.624 1.00 0.00 C ATOM 780 O LYS A 53 0.398 13.168 0.604 1.00 0.00 O ATOM 781 CB LYS A 53 -0.199 13.638 3.739 1.00 0.00 C ATOM 782 CG LYS A 53 1.124 14.257 4.198 1.00 0.00 C ATOM 783 CD LYS A 53 1.069 14.634 5.680 1.00 0.00 C ATOM 784 CE LYS A 53 1.055 16.152 5.859 1.00 0.00 C ATOM 785 NZ LYS A 53 0.360 16.520 7.112 1.00 0.00 N ATOM 0 H LYS A 53 1.410 11.642 4.247 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.936 12.109 2.495 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.779 14.378 3.188 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.791 13.351 4.608 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.938 13.552 4.029 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.341 15.143 3.602 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.178 14.202 6.136 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.929 14.211 6.199 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.077 16.531 5.878 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.557 16.620 5.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.360 17.555 7.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.621 16.175 7.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.852 16.089 7.921 1.00 0.00 H new ATOM 799 N TYR A 54 2.193 12.425 1.760 1.00 0.00 N ATOM 800 CA TYR A 54 3.128 12.652 0.671 1.00 0.00 C ATOM 801 C TYR A 54 2.852 11.702 -0.496 1.00 0.00 C ATOM 802 O TYR A 54 2.150 10.705 -0.336 1.00 0.00 O ATOM 803 CB TYR A 54 4.517 12.353 1.239 1.00 0.00 C ATOM 804 CG TYR A 54 5.142 13.522 2.004 1.00 0.00 C ATOM 805 CD1 TYR A 54 4.334 14.427 2.660 1.00 0.00 C ATOM 806 CD2 TYR A 54 6.513 13.670 2.037 1.00 0.00 C ATOM 807 CE1 TYR A 54 4.921 15.527 3.380 1.00 0.00 C ATOM 808 CE2 TYR A 54 7.101 14.770 2.757 1.00 0.00 C ATOM 809 CZ TYR A 54 6.276 15.644 3.394 1.00 0.00 C ATOM 810 OH TYR A 54 6.832 16.684 4.073 1.00 0.00 O ATOM 0 H TYR A 54 2.611 12.042 2.608 1.00 0.00 H new ATOM 0 HA TYR A 54 3.040 13.672 0.296 1.00 0.00 H new ATOM 0 HB2 TYR A 54 4.449 11.492 1.904 1.00 0.00 H new ATOM 0 HB3 TYR A 54 5.180 12.072 0.421 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.261 14.311 2.634 1.00 0.00 H new ATOM 0 HD2 TYR A 54 7.145 12.961 1.523 1.00 0.00 H new ATOM 0 HE1 TYR A 54 4.299 16.243 3.897 1.00 0.00 H new ATOM 0 HE2 TYR A 54 8.173 14.898 2.790 1.00 0.00 H new ATOM 0 HH TYR A 54 7.808 16.640 3.997 1.00 0.00 H new ATOM 820 N ASN A 55 3.418 12.046 -1.643 1.00 0.00 N ATOM 821 CA ASN A 55 3.242 11.236 -2.837 1.00 0.00 C ATOM 822 C ASN A 55 4.507 10.412 -3.081 1.00 0.00 C ATOM 823 O ASN A 55 4.430 9.262 -3.509 1.00 0.00 O ATOM 824 CB ASN A 55 3.002 12.113 -4.067 1.00 0.00 C ATOM 825 CG ASN A 55 3.956 13.309 -4.081 1.00 0.00 C ATOM 826 OD1 ASN A 55 3.941 14.159 -3.206 1.00 0.00 O ATOM 827 ND2 ASN A 55 4.786 13.328 -5.121 1.00 0.00 N ATOM 0 H ASN A 55 3.999 12.875 -1.771 1.00 0.00 H new ATOM 0 HA ASN A 55 2.378 10.590 -2.682 1.00 0.00 H new ATOM 0 HB2 ASN A 55 3.141 11.522 -4.972 1.00 0.00 H new ATOM 0 HB3 ASN A 55 1.971 12.466 -4.071 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.462 14.086 -5.220 1.00 0.00 H new ATOM 0 HD22 ASN A 55 4.746 12.585 -5.819 1.00 0.00 H new ATOM 834 N GLU A 56 5.643 11.034 -2.799 1.00 0.00 N ATOM 835 CA GLU A 56 6.923 10.373 -2.983 1.00 0.00 C ATOM 836 C GLU A 56 6.987 9.096 -2.143 1.00 0.00 C ATOM 837 O GLU A 56 7.847 8.245 -2.364 1.00 0.00 O ATOM 838 CB GLU A 56 8.080 11.313 -2.638 1.00 0.00 C ATOM 839 CG GLU A 56 8.929 11.615 -3.875 1.00 0.00 C ATOM 840 CD GLU A 56 10.419 11.633 -3.527 1.00 0.00 C ATOM 841 OE1 GLU A 56 11.034 10.547 -3.607 1.00 0.00 O ATOM 842 OE2 GLU A 56 10.909 12.732 -3.189 1.00 0.00 O ATOM 0 H GLU A 56 5.703 11.989 -2.445 1.00 0.00 H new ATOM 0 HA GLU A 56 7.020 10.099 -4.034 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.687 12.243 -2.226 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.703 10.861 -1.866 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.740 10.864 -4.642 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.638 12.578 -4.294 1.00 0.00 H new ATOM 849 N ASP A 57 6.065 9.002 -1.196 1.00 0.00 N ATOM 850 CA ASP A 57 6.005 7.843 -0.322 1.00 0.00 C ATOM 851 C ASP A 57 5.055 6.805 -0.922 1.00 0.00 C ATOM 852 O ASP A 57 5.382 5.620 -0.984 1.00 0.00 O ATOM 853 CB ASP A 57 5.476 8.223 1.063 1.00 0.00 C ATOM 854 CG ASP A 57 6.430 9.069 1.909 1.00 0.00 C ATOM 855 OD1 ASP A 57 6.997 10.026 1.339 1.00 0.00 O ATOM 856 OD2 ASP A 57 6.569 8.739 3.107 1.00 0.00 O ATOM 0 H ASP A 57 5.353 9.710 -1.015 1.00 0.00 H new ATOM 0 HA ASP A 57 7.014 7.442 -0.225 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.541 8.769 0.941 1.00 0.00 H new ATOM 0 HB3 ASP A 57 5.242 7.309 1.610 1.00 0.00 H new ATOM 861 N ILE A 58 3.898 7.287 -1.350 1.00 0.00 N ATOM 862 CA ILE A 58 2.897 6.415 -1.943 1.00 0.00 C ATOM 863 C ILE A 58 3.587 5.415 -2.873 1.00 0.00 C ATOM 864 O ILE A 58 3.181 4.256 -2.954 1.00 0.00 O ATOM 865 CB ILE A 58 1.806 7.241 -2.628 1.00 0.00 C ATOM 866 CG1 ILE A 58 1.026 8.072 -1.608 1.00 0.00 C ATOM 867 CG2 ILE A 58 0.886 6.348 -3.464 1.00 0.00 C ATOM 868 CD1 ILE A 58 0.247 9.195 -2.296 1.00 0.00 C ATOM 0 H ILE A 58 3.631 8.270 -1.298 1.00 0.00 H new ATOM 0 HA ILE A 58 2.389 5.836 -1.172 1.00 0.00 H new ATOM 0 HB ILE A 58 2.286 7.940 -3.313 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.337 7.429 -1.061 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.714 8.497 -0.877 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.120 6.960 -3.940 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.471 5.838 -4.230 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.411 5.609 -2.818 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.299 9.770 -1.548 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.941 9.850 -2.822 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.457 8.766 -3.008 1.00 0.00 H new ATOM 880 N ARG A 59 4.616 5.899 -3.553 1.00 0.00 N ATOM 881 CA ARG A 59 5.365 5.061 -4.474 1.00 0.00 C ATOM 882 C ARG A 59 5.986 3.878 -3.729 1.00 0.00 C ATOM 883 O ARG A 59 5.924 2.742 -4.199 1.00 0.00 O ATOM 884 CB ARG A 59 6.472 5.858 -5.167 1.00 0.00 C ATOM 885 CG ARG A 59 5.910 7.117 -5.829 1.00 0.00 C ATOM 886 CD ARG A 59 6.822 7.594 -6.962 1.00 0.00 C ATOM 887 NE ARG A 59 6.007 8.015 -8.124 1.00 0.00 N ATOM 888 CZ ARG A 59 5.225 9.102 -8.138 1.00 0.00 C ATOM 889 NH1 ARG A 59 5.147 9.886 -7.054 1.00 0.00 N ATOM 890 NH2 ARG A 59 4.521 9.407 -9.237 1.00 0.00 N ATOM 0 H ARG A 59 4.949 6.861 -3.485 1.00 0.00 H new ATOM 0 HA ARG A 59 4.670 4.694 -5.230 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.235 6.135 -4.440 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.958 5.235 -5.917 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.914 6.912 -6.221 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.804 7.907 -5.085 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.438 8.425 -6.619 1.00 0.00 H new ATOM 0 HD3 ARG A 59 7.501 6.794 -7.255 1.00 0.00 H new ATOM 0 HE ARG A 59 6.043 7.441 -8.967 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.683 9.655 -6.218 1.00 0.00 H new ATOM 0 HH12 ARG A 59 4.551 10.714 -7.065 1.00 0.00 H new ATOM 0 HH21 ARG A 59 4.581 8.811 -10.063 1.00 0.00 H new ATOM 0 HH22 ARG A 59 3.925 10.235 -9.248 1.00 0.00 H new ATOM 904 N ARG A 60 6.573 4.183 -2.582 1.00 0.00 N ATOM 905 CA ARG A 60 7.204 3.159 -1.768 1.00 0.00 C ATOM 906 C ARG A 60 6.232 2.006 -1.516 1.00 0.00 C ATOM 907 O ARG A 60 6.460 0.885 -1.969 1.00 0.00 O ATOM 908 CB ARG A 60 7.667 3.730 -0.425 1.00 0.00 C ATOM 909 CG ARG A 60 9.188 3.889 -0.392 1.00 0.00 C ATOM 910 CD ARG A 60 9.583 5.357 -0.224 1.00 0.00 C ATOM 911 NE ARG A 60 11.025 5.530 -0.504 1.00 0.00 N ATOM 912 CZ ARG A 60 11.569 5.454 -1.726 1.00 0.00 C ATOM 913 NH1 ARG A 60 10.792 5.209 -2.790 1.00 0.00 N ATOM 914 NH2 ARG A 60 12.888 5.623 -1.886 1.00 0.00 N ATOM 0 H ARG A 60 6.625 5.126 -2.197 1.00 0.00 H new ATOM 0 HA ARG A 60 8.074 2.792 -2.313 1.00 0.00 H new ATOM 0 HB2 ARG A 60 7.193 4.696 -0.254 1.00 0.00 H new ATOM 0 HB3 ARG A 60 7.349 3.071 0.383 1.00 0.00 H new ATOM 0 HG2 ARG A 60 9.601 3.302 0.428 1.00 0.00 H new ATOM 0 HG3 ARG A 60 9.618 3.496 -1.313 1.00 0.00 H new ATOM 0 HD2 ARG A 60 8.996 5.979 -0.900 1.00 0.00 H new ATOM 0 HD3 ARG A 60 9.359 5.688 0.790 1.00 0.00 H new ATOM 0 HE ARG A 60 11.645 5.719 0.284 1.00 0.00 H new ATOM 0 HH11 ARG A 60 9.787 5.081 -2.669 1.00 0.00 H new ATOM 0 HH12 ARG A 60 11.205 5.151 -3.721 1.00 0.00 H new ATOM 0 HH21 ARG A 60 13.480 5.810 -1.077 1.00 0.00 H new ATOM 0 HH22 ARG A 60 13.300 5.565 -2.817 1.00 0.00 H new ATOM 928 N GLY A 61 5.166 2.319 -0.793 1.00 0.00 N ATOM 929 CA GLY A 61 4.158 1.323 -0.475 1.00 0.00 C ATOM 930 C GLY A 61 3.833 0.462 -1.697 1.00 0.00 C ATOM 931 O GLY A 61 3.816 -0.765 -1.610 1.00 0.00 O ATOM 0 H GLY A 61 4.979 3.249 -0.419 1.00 0.00 H new ATOM 0 HA2 GLY A 61 4.512 0.689 0.337 1.00 0.00 H new ATOM 0 HA3 GLY A 61 3.252 1.817 -0.122 1.00 0.00 H new ATOM 935 N ILE A 62 3.584 1.139 -2.808 1.00 0.00 N ATOM 936 CA ILE A 62 3.261 0.451 -4.048 1.00 0.00 C ATOM 937 C ILE A 62 4.410 -0.489 -4.418 1.00 0.00 C ATOM 938 O ILE A 62 4.181 -1.641 -4.783 1.00 0.00 O ATOM 939 CB ILE A 62 2.913 1.458 -5.144 1.00 0.00 C ATOM 940 CG1 ILE A 62 1.780 2.385 -4.699 1.00 0.00 C ATOM 941 CG2 ILE A 62 2.588 0.747 -6.460 1.00 0.00 C ATOM 942 CD1 ILE A 62 1.754 3.664 -5.539 1.00 0.00 C ATOM 0 H ILE A 62 3.599 2.157 -2.876 1.00 0.00 H new ATOM 0 HA ILE A 62 2.372 -0.166 -3.921 1.00 0.00 H new ATOM 0 HB ILE A 62 3.788 2.083 -5.323 1.00 0.00 H new ATOM 0 HG12 ILE A 62 0.825 1.867 -4.789 1.00 0.00 H new ATOM 0 HG13 ILE A 62 1.906 2.640 -3.647 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.344 1.487 -7.223 1.00 0.00 H new ATOM 0 HG22 ILE A 62 3.452 0.165 -6.782 1.00 0.00 H new ATOM 0 HG23 ILE A 62 1.737 0.082 -6.314 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.939 4.305 -5.201 1.00 0.00 H new ATOM 0 HD12 ILE A 62 2.701 4.192 -5.427 1.00 0.00 H new ATOM 0 HD13 ILE A 62 1.603 3.408 -6.588 1.00 0.00 H new ATOM 954 N VAL A 63 5.621 0.037 -4.310 1.00 0.00 N ATOM 955 CA VAL A 63 6.806 -0.740 -4.629 1.00 0.00 C ATOM 956 C VAL A 63 6.803 -2.029 -3.804 1.00 0.00 C ATOM 957 O VAL A 63 6.940 -3.121 -4.352 1.00 0.00 O ATOM 958 CB VAL A 63 8.062 0.105 -4.413 1.00 0.00 C ATOM 959 CG1 VAL A 63 9.328 -0.722 -4.647 1.00 0.00 C ATOM 960 CG2 VAL A 63 8.047 1.349 -5.305 1.00 0.00 C ATOM 0 H VAL A 63 5.807 0.993 -4.006 1.00 0.00 H new ATOM 0 HA VAL A 63 6.802 -1.027 -5.681 1.00 0.00 H new ATOM 0 HB VAL A 63 8.067 0.437 -3.375 1.00 0.00 H new ATOM 0 HG11 VAL A 63 10.206 -0.096 -4.487 1.00 0.00 H new ATOM 0 HG12 VAL A 63 9.348 -1.561 -3.951 1.00 0.00 H new ATOM 0 HG13 VAL A 63 9.333 -1.099 -5.670 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.951 1.932 -5.131 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.006 1.046 -6.351 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.173 1.956 -5.068 1.00 0.00 H new ATOM 970 N LEU A 64 6.644 -1.858 -2.500 1.00 0.00 N ATOM 971 CA LEU A 64 6.622 -2.994 -1.593 1.00 0.00 C ATOM 972 C LEU A 64 5.384 -3.845 -1.882 1.00 0.00 C ATOM 973 O LEU A 64 5.494 -5.049 -2.107 1.00 0.00 O ATOM 974 CB LEU A 64 6.719 -2.521 -0.141 1.00 0.00 C ATOM 975 CG LEU A 64 7.568 -1.272 0.102 1.00 0.00 C ATOM 976 CD1 LEU A 64 7.733 -1.004 1.599 1.00 0.00 C ATOM 977 CD2 LEU A 64 8.915 -1.375 -0.614 1.00 0.00 C ATOM 0 H LEU A 64 6.529 -0.950 -2.049 1.00 0.00 H new ATOM 0 HA LEU A 64 7.492 -3.630 -1.755 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.711 -2.328 0.225 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.126 -3.335 0.459 1.00 0.00 H new ATOM 0 HG LEU A 64 7.044 -0.416 -0.323 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.341 -0.111 1.744 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.753 -0.854 2.052 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.223 -1.856 2.069 1.00 0.00 H new ATOM 0 HD21 LEU A 64 9.498 -0.474 -0.424 1.00 0.00 H new ATOM 0 HD22 LEU A 64 9.459 -2.244 -0.243 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.750 -1.481 -1.686 1.00 0.00 H new ATOM 989 N LEU A 65 4.235 -3.187 -1.865 1.00 0.00 N ATOM 990 CA LEU A 65 2.977 -3.868 -2.120 1.00 0.00 C ATOM 991 C LEU A 65 3.086 -4.657 -3.427 1.00 0.00 C ATOM 992 O LEU A 65 2.629 -5.795 -3.510 1.00 0.00 O ATOM 993 CB LEU A 65 1.814 -2.875 -2.097 1.00 0.00 C ATOM 994 CG LEU A 65 1.141 -2.661 -0.740 1.00 0.00 C ATOM 995 CD1 LEU A 65 2.178 -2.589 0.381 1.00 0.00 C ATOM 996 CD2 LEU A 65 0.236 -1.428 -0.765 1.00 0.00 C ATOM 0 H LEU A 65 4.148 -2.188 -1.678 1.00 0.00 H new ATOM 0 HA LEU A 65 2.766 -4.587 -1.328 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.177 -1.912 -2.456 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.058 -3.215 -2.805 1.00 0.00 H new ATOM 0 HG LEU A 65 0.505 -3.522 -0.535 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.673 -2.436 1.335 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.743 -3.521 0.414 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.859 -1.758 0.194 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.230 -1.299 0.212 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.830 -0.546 -1.003 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.538 -1.560 -1.521 1.00 0.00 H new ATOM 1008 N GLU A 66 3.697 -4.020 -4.416 1.00 0.00 N ATOM 1009 CA GLU A 66 3.873 -4.648 -5.715 1.00 0.00 C ATOM 1010 C GLU A 66 4.952 -5.730 -5.639 1.00 0.00 C ATOM 1011 O GLU A 66 5.208 -6.424 -6.622 1.00 0.00 O ATOM 1012 CB GLU A 66 4.212 -3.608 -6.784 1.00 0.00 C ATOM 1013 CG GLU A 66 2.961 -2.846 -7.225 1.00 0.00 C ATOM 1014 CD GLU A 66 3.240 -2.009 -8.475 1.00 0.00 C ATOM 1015 OE1 GLU A 66 3.065 -2.566 -9.581 1.00 0.00 O ATOM 1016 OE2 GLU A 66 3.622 -0.832 -8.297 1.00 0.00 O ATOM 0 H GLU A 66 4.076 -3.076 -4.344 1.00 0.00 H new ATOM 0 HA GLU A 66 2.933 -5.120 -6.000 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.950 -2.907 -6.393 1.00 0.00 H new ATOM 0 HB3 GLU A 66 4.664 -4.100 -7.645 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.154 -3.551 -7.428 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.622 -2.197 -6.417 1.00 0.00 H new ATOM 1023 N GLU A 67 5.554 -5.840 -4.464 1.00 0.00 N ATOM 1024 CA GLU A 67 6.599 -6.825 -4.249 1.00 0.00 C ATOM 1025 C GLU A 67 6.124 -7.894 -3.262 1.00 0.00 C ATOM 1026 O GLU A 67 6.698 -8.981 -3.196 1.00 0.00 O ATOM 1027 CB GLU A 67 7.887 -6.160 -3.759 1.00 0.00 C ATOM 1028 CG GLU A 67 8.748 -5.700 -4.938 1.00 0.00 C ATOM 1029 CD GLU A 67 10.181 -6.219 -4.804 1.00 0.00 C ATOM 1030 OE1 GLU A 67 10.729 -6.092 -3.689 1.00 0.00 O ATOM 1031 OE2 GLU A 67 10.696 -6.729 -5.823 1.00 0.00 O ATOM 0 H GLU A 67 5.338 -5.263 -3.651 1.00 0.00 H new ATOM 0 HA GLU A 67 6.818 -7.308 -5.201 1.00 0.00 H new ATOM 0 HB2 GLU A 67 7.642 -5.306 -3.127 1.00 0.00 H new ATOM 0 HB3 GLU A 67 8.451 -6.861 -3.143 1.00 0.00 H new ATOM 0 HG2 GLU A 67 8.314 -6.057 -5.872 1.00 0.00 H new ATOM 0 HG3 GLU A 67 8.754 -4.611 -4.986 1.00 0.00 H new ATOM 1038 N LEU A 68 5.083 -7.549 -2.520 1.00 0.00 N ATOM 1039 CA LEU A 68 4.525 -8.466 -1.540 1.00 0.00 C ATOM 1040 C LEU A 68 3.418 -9.293 -2.195 1.00 0.00 C ATOM 1041 O LEU A 68 3.090 -10.382 -1.725 1.00 0.00 O ATOM 1042 CB LEU A 68 4.069 -7.705 -0.293 1.00 0.00 C ATOM 1043 CG LEU A 68 5.181 -7.213 0.636 1.00 0.00 C ATOM 1044 CD1 LEU A 68 4.633 -6.235 1.677 1.00 0.00 C ATOM 1045 CD2 LEU A 68 5.913 -8.390 1.285 1.00 0.00 C ATOM 0 H LEU A 68 4.611 -6.647 -2.577 1.00 0.00 H new ATOM 0 HA LEU A 68 5.286 -9.167 -1.197 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.481 -6.844 -0.612 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.403 -8.351 0.280 1.00 0.00 H new ATOM 0 HG LEU A 68 5.912 -6.669 0.037 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.444 -5.901 2.324 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.193 -5.375 1.172 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.871 -6.732 2.277 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.698 -8.013 1.940 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.207 -8.981 1.868 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.356 -9.015 0.510 1.00 0.00 H new ATOM 1057 N LEU A 69 2.870 -8.745 -3.270 1.00 0.00 N ATOM 1058 CA LEU A 69 1.805 -9.419 -3.994 1.00 0.00 C ATOM 1059 C LEU A 69 2.115 -10.915 -4.070 1.00 0.00 C ATOM 1060 O LEU A 69 1.332 -11.739 -3.600 1.00 0.00 O ATOM 1061 CB LEU A 69 1.590 -8.765 -5.360 1.00 0.00 C ATOM 1062 CG LEU A 69 0.200 -8.174 -5.609 1.00 0.00 C ATOM 1063 CD1 LEU A 69 -0.872 -8.955 -4.847 1.00 0.00 C ATOM 1064 CD2 LEU A 69 0.171 -6.682 -5.273 1.00 0.00 C ATOM 0 H LEU A 69 3.144 -7.842 -3.657 1.00 0.00 H new ATOM 0 HA LEU A 69 0.858 -9.316 -3.464 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.328 -7.972 -5.481 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.791 -9.508 -6.132 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.027 -8.269 -6.671 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.850 -8.515 -5.041 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.870 -9.994 -5.178 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.661 -8.914 -3.778 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.828 -6.287 -5.459 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.428 -6.540 -4.223 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.892 -6.154 -5.897 1.00 0.00 H new ATOM 1076 N PRO A 70 3.288 -11.230 -4.682 1.00 0.00 N ATOM 1077 CA PRO A 70 3.710 -12.612 -4.826 1.00 0.00 C ATOM 1078 C PRO A 70 4.214 -13.173 -3.494 1.00 0.00 C ATOM 1079 O PRO A 70 4.120 -14.374 -3.246 1.00 0.00 O ATOM 1080 CB PRO A 70 4.783 -12.586 -5.903 1.00 0.00 C ATOM 1081 CG PRO A 70 5.249 -11.142 -5.991 1.00 0.00 C ATOM 1082 CD PRO A 70 4.241 -10.280 -5.250 1.00 0.00 C ATOM 0 HA PRO A 70 2.892 -13.273 -5.113 1.00 0.00 H new ATOM 0 HB2 PRO A 70 5.610 -13.248 -5.647 1.00 0.00 H new ATOM 0 HB3 PRO A 70 4.386 -12.927 -6.859 1.00 0.00 H new ATOM 0 HG2 PRO A 70 6.240 -11.034 -5.551 1.00 0.00 H new ATOM 0 HG3 PRO A 70 5.326 -10.829 -7.032 1.00 0.00 H new ATOM 0 HD2 PRO A 70 4.722 -9.688 -4.471 1.00 0.00 H new ATOM 0 HD3 PRO A 70 3.748 -9.579 -5.924 1.00 0.00 H new ATOM 1090 N LYS A 71 4.738 -12.276 -2.672 1.00 0.00 N ATOM 1091 CA LYS A 71 5.257 -12.667 -1.371 1.00 0.00 C ATOM 1092 C LYS A 71 4.142 -12.562 -0.329 1.00 0.00 C ATOM 1093 O LYS A 71 4.379 -12.128 0.798 1.00 0.00 O ATOM 1094 CB LYS A 71 6.503 -11.849 -1.024 1.00 0.00 C ATOM 1095 CG LYS A 71 7.459 -11.773 -2.215 1.00 0.00 C ATOM 1096 CD LYS A 71 8.812 -11.192 -1.797 1.00 0.00 C ATOM 1097 CE LYS A 71 9.697 -10.931 -3.018 1.00 0.00 C ATOM 1098 NZ LYS A 71 11.115 -10.804 -2.611 1.00 0.00 N ATOM 0 H LYS A 71 4.815 -11.281 -2.881 1.00 0.00 H new ATOM 0 HA LYS A 71 5.581 -13.708 -1.387 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.210 -10.843 -0.724 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.013 -12.300 -0.172 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.601 -12.768 -2.636 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.021 -11.155 -2.999 1.00 0.00 H new ATOM 0 HD2 LYS A 71 8.659 -10.262 -1.249 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.315 -11.882 -1.120 1.00 0.00 H new ATOM 0 HE2 LYS A 71 9.589 -11.746 -3.734 1.00 0.00 H new ATOM 0 HE3 LYS A 71 9.374 -10.020 -3.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 11.703 -10.627 -3.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 11.215 -10.012 -1.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 11.424 -11.684 -2.151 1.00 0.00 H new ATOM 1112 N GLY A 72 2.950 -12.966 -0.743 1.00 0.00 N ATOM 1113 CA GLY A 72 1.797 -12.922 0.141 1.00 0.00 C ATOM 1114 C GLY A 72 1.214 -14.321 0.351 1.00 0.00 C ATOM 1115 O GLY A 72 1.175 -15.128 -0.577 1.00 0.00 O ATOM 0 H GLY A 72 2.758 -13.325 -1.678 1.00 0.00 H new ATOM 0 HA2 GLY A 72 2.087 -12.497 1.102 1.00 0.00 H new ATOM 0 HA3 GLY A 72 1.035 -12.266 -0.281 1.00 0.00 H new ATOM 1119 N SER A 73 0.776 -14.566 1.578 1.00 0.00 N ATOM 1120 CA SER A 73 0.197 -15.854 1.922 1.00 0.00 C ATOM 1121 C SER A 73 -1.136 -16.039 1.195 1.00 0.00 C ATOM 1122 O SER A 73 -1.290 -16.964 0.398 1.00 0.00 O ATOM 1123 CB SER A 73 0.000 -15.983 3.434 1.00 0.00 C ATOM 1124 OG SER A 73 1.124 -16.587 4.068 1.00 0.00 O ATOM 0 H SER A 73 0.810 -13.895 2.345 1.00 0.00 H new ATOM 0 HA SER A 73 0.888 -16.635 1.605 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.171 -14.996 3.863 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.892 -16.577 3.634 1.00 0.00 H new ATOM 0 HG SER A 73 0.961 -16.650 5.032 1.00 0.00 H new ATOM 1130 N LYS A 74 -2.067 -15.146 1.497 1.00 0.00 N ATOM 1131 CA LYS A 74 -3.383 -15.200 0.883 1.00 0.00 C ATOM 1132 C LYS A 74 -4.225 -14.027 1.387 1.00 0.00 C ATOM 1133 O LYS A 74 -4.625 -13.164 0.607 1.00 0.00 O ATOM 1134 CB LYS A 74 -4.029 -16.566 1.118 1.00 0.00 C ATOM 1135 CG LYS A 74 -4.658 -17.105 -0.168 1.00 0.00 C ATOM 1136 CD LYS A 74 -4.636 -18.635 -0.192 1.00 0.00 C ATOM 1137 CE LYS A 74 -3.889 -19.154 -1.423 1.00 0.00 C ATOM 1138 NZ LYS A 74 -3.292 -20.479 -1.145 1.00 0.00 N ATOM 0 H LYS A 74 -1.936 -14.381 2.159 1.00 0.00 H new ATOM 0 HA LYS A 74 -3.302 -15.094 -0.199 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -3.279 -17.269 1.482 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -4.791 -16.483 1.893 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -5.686 -16.752 -0.250 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -4.118 -16.717 -1.031 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -4.157 -19.010 0.713 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -5.657 -19.017 -0.194 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -4.574 -19.227 -2.268 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -3.108 -18.449 -1.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -2.789 -20.817 -1.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -2.623 -20.399 -0.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -4.044 -21.153 -0.897 1.00 0.00 H new ATOM 1152 N GLU A 75 -4.470 -14.032 2.690 1.00 0.00 N ATOM 1153 CA GLU A 75 -5.256 -12.978 3.308 1.00 0.00 C ATOM 1154 C GLU A 75 -4.456 -11.675 3.355 1.00 0.00 C ATOM 1155 O GLU A 75 -4.996 -10.623 3.689 1.00 0.00 O ATOM 1156 CB GLU A 75 -5.718 -13.389 4.708 1.00 0.00 C ATOM 1157 CG GLU A 75 -4.527 -13.542 5.655 1.00 0.00 C ATOM 1158 CD GLU A 75 -4.895 -13.105 7.075 1.00 0.00 C ATOM 1159 OE1 GLU A 75 -5.211 -11.907 7.235 1.00 0.00 O ATOM 1160 OE2 GLU A 75 -4.852 -13.979 7.967 1.00 0.00 O ATOM 0 H GLU A 75 -4.138 -14.750 3.334 1.00 0.00 H new ATOM 0 HA GLU A 75 -6.146 -12.812 2.701 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.407 -12.641 5.102 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.266 -14.329 4.652 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.197 -14.581 5.665 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.690 -12.945 5.292 1.00 0.00 H new ATOM 1167 N GLU A 76 -3.180 -11.790 3.015 1.00 0.00 N ATOM 1168 CA GLU A 76 -2.300 -10.633 3.014 1.00 0.00 C ATOM 1169 C GLU A 76 -2.446 -9.856 1.704 1.00 0.00 C ATOM 1170 O GLU A 76 -2.412 -8.626 1.702 1.00 0.00 O ATOM 1171 CB GLU A 76 -0.847 -11.051 3.244 1.00 0.00 C ATOM 1172 CG GLU A 76 -0.507 -11.058 4.736 1.00 0.00 C ATOM 1173 CD GLU A 76 0.839 -10.379 4.995 1.00 0.00 C ATOM 1174 OE1 GLU A 76 0.846 -9.129 5.032 1.00 0.00 O ATOM 1175 OE2 GLU A 76 1.830 -11.123 5.151 1.00 0.00 O ATOM 0 H GLU A 76 -2.735 -12.665 2.739 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.591 -9.979 3.836 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.680 -12.043 2.825 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -0.181 -10.367 2.719 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.290 -10.545 5.294 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.477 -12.085 5.101 1.00 0.00 H new ATOM 1182 N GLN A 77 -2.607 -10.604 0.623 1.00 0.00 N ATOM 1183 CA GLN A 77 -2.759 -10.001 -0.690 1.00 0.00 C ATOM 1184 C GLN A 77 -3.951 -9.042 -0.699 1.00 0.00 C ATOM 1185 O GLN A 77 -3.965 -8.070 -1.452 1.00 0.00 O ATOM 1186 CB GLN A 77 -2.910 -11.072 -1.772 1.00 0.00 C ATOM 1187 CG GLN A 77 -1.581 -11.315 -2.492 1.00 0.00 C ATOM 1188 CD GLN A 77 -1.805 -12.018 -3.832 1.00 0.00 C ATOM 1189 OE1 GLN A 77 -2.633 -11.626 -4.638 1.00 0.00 O ATOM 1190 NE2 GLN A 77 -1.023 -13.076 -4.025 1.00 0.00 N ATOM 0 H GLN A 77 -2.636 -11.624 0.629 1.00 0.00 H new ATOM 0 HA GLN A 77 -1.857 -9.431 -0.912 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -3.260 -12.001 -1.323 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -3.667 -10.762 -2.493 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -1.073 -10.365 -2.656 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -0.928 -11.921 -1.864 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -0.350 -13.350 -3.309 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -1.096 -13.613 -4.889 1.00 0.00 H new ATOM 1199 N ARG A 78 -4.923 -9.348 0.149 1.00 0.00 N ATOM 1200 CA ARG A 78 -6.116 -8.526 0.248 1.00 0.00 C ATOM 1201 C ARG A 78 -5.753 -7.119 0.727 1.00 0.00 C ATOM 1202 O ARG A 78 -6.353 -6.137 0.293 1.00 0.00 O ATOM 1203 CB ARG A 78 -7.130 -9.141 1.216 1.00 0.00 C ATOM 1204 CG ARG A 78 -7.924 -10.260 0.541 1.00 0.00 C ATOM 1205 CD ARG A 78 -7.222 -11.609 0.710 1.00 0.00 C ATOM 1206 NE ARG A 78 -8.084 -12.535 1.478 1.00 0.00 N ATOM 1207 CZ ARG A 78 -7.953 -13.869 1.465 1.00 0.00 C ATOM 1208 NH1 ARG A 78 -6.994 -14.440 0.724 1.00 0.00 N ATOM 1209 NH2 ARG A 78 -8.780 -14.631 2.194 1.00 0.00 N ATOM 0 H ARG A 78 -4.908 -10.154 0.774 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.564 -8.472 -0.744 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.611 -9.535 2.090 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -7.813 -8.369 1.572 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -8.925 -10.310 0.970 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -8.043 -10.038 -0.520 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -6.996 -12.036 -0.267 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -6.272 -11.472 1.226 1.00 0.00 H new ATOM 0 HE ARG A 78 -8.824 -12.133 2.053 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -6.364 -13.860 0.170 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -6.894 -15.455 0.714 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -9.509 -14.196 2.759 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -8.680 -15.646 2.184 1.00 0.00 H new ATOM 1223 N ASP A 79 -4.771 -7.066 1.615 1.00 0.00 N ATOM 1224 CA ASP A 79 -4.321 -5.795 2.158 1.00 0.00 C ATOM 1225 C ASP A 79 -3.370 -5.128 1.161 1.00 0.00 C ATOM 1226 O ASP A 79 -3.200 -3.911 1.179 1.00 0.00 O ATOM 1227 CB ASP A 79 -3.563 -5.995 3.472 1.00 0.00 C ATOM 1228 CG ASP A 79 -4.298 -5.506 4.722 1.00 0.00 C ATOM 1229 OD1 ASP A 79 -4.983 -4.467 4.608 1.00 0.00 O ATOM 1230 OD2 ASP A 79 -4.158 -6.182 5.764 1.00 0.00 O ATOM 0 H ASP A 79 -4.274 -7.882 1.972 1.00 0.00 H new ATOM 0 HA ASP A 79 -5.199 -5.175 2.339 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -3.343 -7.056 3.590 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -2.606 -5.477 3.405 1.00 0.00 H new ATOM 1235 N TYR A 80 -2.774 -5.957 0.316 1.00 0.00 N ATOM 1236 CA TYR A 80 -1.845 -5.463 -0.686 1.00 0.00 C ATOM 1237 C TYR A 80 -2.587 -4.743 -1.814 1.00 0.00 C ATOM 1238 O TYR A 80 -2.414 -3.542 -2.007 1.00 0.00 O ATOM 1239 CB TYR A 80 -1.146 -6.698 -1.258 1.00 0.00 C ATOM 1240 CG TYR A 80 -0.265 -7.438 -0.249 1.00 0.00 C ATOM 1241 CD1 TYR A 80 -0.155 -6.969 1.045 1.00 0.00 C ATOM 1242 CD2 TYR A 80 0.418 -8.574 -0.631 1.00 0.00 C ATOM 1243 CE1 TYR A 80 0.674 -7.665 1.995 1.00 0.00 C ATOM 1244 CE2 TYR A 80 1.245 -9.271 0.319 1.00 0.00 C ATOM 1245 CZ TYR A 80 1.333 -8.782 1.584 1.00 0.00 C ATOM 1246 OH TYR A 80 2.115 -9.439 2.482 1.00 0.00 O ATOM 0 H TYR A 80 -2.916 -6.967 0.305 1.00 0.00 H new ATOM 0 HA TYR A 80 -1.145 -4.754 -0.244 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -1.901 -7.386 -1.639 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -0.533 -6.395 -2.107 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -0.691 -6.080 1.345 1.00 0.00 H new ATOM 0 HD2 TYR A 80 0.332 -8.941 -1.643 1.00 0.00 H new ATOM 0 HE1 TYR A 80 0.770 -7.309 3.010 1.00 0.00 H new ATOM 0 HE2 TYR A 80 1.783 -10.162 0.033 1.00 0.00 H new ATOM 0 HH TYR A 80 2.172 -8.917 3.310 1.00 0.00 H new ATOM 1256 N VAL A 81 -3.397 -5.510 -2.530 1.00 0.00 N ATOM 1257 CA VAL A 81 -4.165 -4.960 -3.634 1.00 0.00 C ATOM 1258 C VAL A 81 -4.872 -3.684 -3.172 1.00 0.00 C ATOM 1259 O VAL A 81 -4.626 -2.606 -3.708 1.00 0.00 O ATOM 1260 CB VAL A 81 -5.131 -6.017 -4.176 1.00 0.00 C ATOM 1261 CG1 VAL A 81 -5.961 -5.458 -5.334 1.00 0.00 C ATOM 1262 CG2 VAL A 81 -4.380 -7.281 -4.599 1.00 0.00 C ATOM 0 H VAL A 81 -3.538 -6.507 -2.367 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.507 -4.686 -4.459 1.00 0.00 H new ATOM 0 HB VAL A 81 -5.816 -6.288 -3.373 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -6.639 -6.229 -5.701 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -6.539 -4.601 -4.987 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.297 -5.145 -6.140 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.090 -8.015 -4.980 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -3.660 -7.033 -5.379 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.854 -7.697 -3.739 1.00 0.00 H new ATOM 1272 N PHE A 82 -5.738 -3.851 -2.183 1.00 0.00 N ATOM 1273 CA PHE A 82 -6.482 -2.726 -1.643 1.00 0.00 C ATOM 1274 C PHE A 82 -5.631 -1.455 -1.639 1.00 0.00 C ATOM 1275 O PHE A 82 -5.936 -0.497 -2.347 1.00 0.00 O ATOM 1276 CB PHE A 82 -6.850 -3.083 -0.201 1.00 0.00 C ATOM 1277 CG PHE A 82 -7.442 -1.920 0.596 1.00 0.00 C ATOM 1278 CD1 PHE A 82 -8.231 -1.002 -0.024 1.00 0.00 C ATOM 1279 CD2 PHE A 82 -7.180 -1.803 1.926 1.00 0.00 C ATOM 1280 CE1 PHE A 82 -8.781 0.078 0.717 1.00 0.00 C ATOM 1281 CE2 PHE A 82 -7.729 -0.724 2.666 1.00 0.00 C ATOM 1282 CZ PHE A 82 -8.518 0.195 2.046 1.00 0.00 C ATOM 0 H PHE A 82 -5.941 -4.748 -1.742 1.00 0.00 H new ATOM 0 HA PHE A 82 -7.365 -2.538 -2.254 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -7.567 -3.904 -0.212 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -5.959 -3.445 0.312 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -8.439 -1.094 -1.080 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -6.554 -2.532 2.419 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -9.408 0.806 0.225 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -7.521 -0.632 3.722 1.00 0.00 H new ATOM 0 HZ PHE A 82 -8.935 1.017 2.609 1.00 0.00 H new ATOM 1292 N TYR A 83 -4.579 -1.488 -0.835 1.00 0.00 N ATOM 1293 CA TYR A 83 -3.680 -0.351 -0.730 1.00 0.00 C ATOM 1294 C TYR A 83 -3.099 0.016 -2.097 1.00 0.00 C ATOM 1295 O TYR A 83 -3.003 1.193 -2.438 1.00 0.00 O ATOM 1296 CB TYR A 83 -2.542 -0.796 0.192 1.00 0.00 C ATOM 1297 CG TYR A 83 -2.984 -1.088 1.627 1.00 0.00 C ATOM 1298 CD1 TYR A 83 -4.181 -0.589 2.097 1.00 0.00 C ATOM 1299 CD2 TYR A 83 -2.183 -1.852 2.453 1.00 0.00 C ATOM 1300 CE1 TYR A 83 -4.596 -0.865 3.448 1.00 0.00 C ATOM 1301 CE2 TYR A 83 -2.598 -2.127 3.804 1.00 0.00 C ATOM 1302 CZ TYR A 83 -3.784 -1.621 4.235 1.00 0.00 C ATOM 1303 OH TYR A 83 -4.175 -1.880 5.511 1.00 0.00 O ATOM 0 H TYR A 83 -4.329 -2.285 -0.249 1.00 0.00 H new ATOM 0 HA TYR A 83 -4.209 0.523 -0.349 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -2.079 -1.691 -0.224 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -1.777 -0.020 0.209 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -4.807 0.009 1.451 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -1.246 -2.243 2.086 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -5.531 -0.480 3.828 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -1.981 -2.722 4.461 1.00 0.00 H new ATOM 0 HH TYR A 83 -4.542 -2.787 5.563 1.00 0.00 H new ATOM 1313 N LEU A 84 -2.726 -1.014 -2.843 1.00 0.00 N ATOM 1314 CA LEU A 84 -2.157 -0.815 -4.164 1.00 0.00 C ATOM 1315 C LEU A 84 -3.109 0.043 -5.000 1.00 0.00 C ATOM 1316 O LEU A 84 -2.698 0.648 -5.990 1.00 0.00 O ATOM 1317 CB LEU A 84 -1.815 -2.160 -4.808 1.00 0.00 C ATOM 1318 CG LEU A 84 -0.337 -2.396 -5.123 1.00 0.00 C ATOM 1319 CD1 LEU A 84 -0.067 -3.873 -5.414 1.00 0.00 C ATOM 1320 CD2 LEU A 84 0.133 -1.492 -6.264 1.00 0.00 C ATOM 0 H LEU A 84 -2.807 -1.990 -2.557 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.214 -0.272 -4.095 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.156 -2.955 -4.145 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.383 -2.252 -5.734 1.00 0.00 H new ATOM 0 HG LEU A 84 0.246 -2.130 -4.241 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.991 -4.013 -5.635 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.338 -4.471 -4.544 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.661 -4.190 -6.271 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.187 -1.681 -6.467 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.452 -1.702 -7.159 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.001 -0.448 -5.980 1.00 0.00 H new ATOM 1332 N ALA A 85 -4.362 0.069 -4.572 1.00 0.00 N ATOM 1333 CA ALA A 85 -5.375 0.844 -5.268 1.00 0.00 C ATOM 1334 C ALA A 85 -5.492 2.224 -4.619 1.00 0.00 C ATOM 1335 O ALA A 85 -5.367 3.245 -5.294 1.00 0.00 O ATOM 1336 CB ALA A 85 -6.700 0.079 -5.255 1.00 0.00 C ATOM 0 H ALA A 85 -4.699 -0.434 -3.751 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.095 0.994 -6.311 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.461 0.660 -5.777 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -6.571 -0.881 -5.754 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.014 -0.087 -4.225 1.00 0.00 H new ATOM 1342 N VAL A 86 -5.730 2.212 -3.316 1.00 0.00 N ATOM 1343 CA VAL A 86 -5.865 3.450 -2.567 1.00 0.00 C ATOM 1344 C VAL A 86 -4.597 4.288 -2.743 1.00 0.00 C ATOM 1345 O VAL A 86 -4.665 5.513 -2.832 1.00 0.00 O ATOM 1346 CB VAL A 86 -6.181 3.144 -1.102 1.00 0.00 C ATOM 1347 CG1 VAL A 86 -4.918 2.730 -0.343 1.00 0.00 C ATOM 1348 CG2 VAL A 86 -6.860 4.338 -0.427 1.00 0.00 C ATOM 0 H VAL A 86 -5.833 1.364 -2.759 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.699 4.038 -2.949 1.00 0.00 H new ATOM 0 HB VAL A 86 -6.876 2.305 -1.077 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -5.171 2.518 0.696 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.494 1.837 -0.802 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.189 3.539 -0.381 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -7.074 4.094 0.614 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -6.199 5.204 -0.468 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -7.791 4.567 -0.945 1.00 0.00 H new ATOM 1358 N GLY A 87 -3.469 3.594 -2.789 1.00 0.00 N ATOM 1359 CA GLY A 87 -2.188 4.258 -2.952 1.00 0.00 C ATOM 1360 C GLY A 87 -2.031 4.807 -4.372 1.00 0.00 C ATOM 1361 O GLY A 87 -1.692 5.975 -4.557 1.00 0.00 O ATOM 0 H GLY A 87 -3.416 2.578 -2.716 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -2.102 5.072 -2.232 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -1.381 3.557 -2.738 1.00 0.00 H new ATOM 1365 N ASN A 88 -2.287 3.937 -5.339 1.00 0.00 N ATOM 1366 CA ASN A 88 -2.178 4.319 -6.736 1.00 0.00 C ATOM 1367 C ASN A 88 -3.147 5.468 -7.023 1.00 0.00 C ATOM 1368 O ASN A 88 -2.760 6.479 -7.607 1.00 0.00 O ATOM 1369 CB ASN A 88 -2.544 3.152 -7.657 1.00 0.00 C ATOM 1370 CG ASN A 88 -1.289 2.454 -8.183 1.00 0.00 C ATOM 1371 OD1 ASN A 88 -0.700 2.846 -9.177 1.00 0.00 O ATOM 1372 ND2 ASN A 88 -0.913 1.401 -7.463 1.00 0.00 N ATOM 0 H ASN A 88 -2.569 2.970 -5.182 1.00 0.00 H new ATOM 0 HA ASN A 88 -1.147 4.618 -6.924 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -3.162 2.436 -7.115 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -3.139 3.517 -8.494 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -0.086 0.868 -7.732 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -1.451 1.126 -6.641 1.00 0.00 H new ATOM 1379 N TYR A 89 -4.387 5.275 -6.599 1.00 0.00 N ATOM 1380 CA TYR A 89 -5.414 6.283 -6.802 1.00 0.00 C ATOM 1381 C TYR A 89 -4.897 7.674 -6.433 1.00 0.00 C ATOM 1382 O TYR A 89 -5.100 8.633 -7.176 1.00 0.00 O ATOM 1383 CB TYR A 89 -6.561 5.911 -5.862 1.00 0.00 C ATOM 1384 CG TYR A 89 -7.415 7.103 -5.421 1.00 0.00 C ATOM 1385 CD1 TYR A 89 -7.038 7.855 -4.328 1.00 0.00 C ATOM 1386 CD2 TYR A 89 -8.562 7.424 -6.118 1.00 0.00 C ATOM 1387 CE1 TYR A 89 -7.841 8.976 -3.914 1.00 0.00 C ATOM 1388 CE2 TYR A 89 -9.366 8.545 -5.703 1.00 0.00 C ATOM 1389 CZ TYR A 89 -8.965 9.265 -4.621 1.00 0.00 C ATOM 1390 OH TYR A 89 -9.724 10.324 -4.231 1.00 0.00 O ATOM 0 H TYR A 89 -4.704 4.435 -6.115 1.00 0.00 H new ATOM 0 HA TYR A 89 -5.723 6.312 -7.847 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -7.202 5.182 -6.358 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -6.149 5.425 -4.978 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -6.140 7.603 -3.783 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -8.857 6.835 -6.974 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -7.556 9.574 -3.061 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -10.266 8.808 -6.239 1.00 0.00 H new ATOM 0 HH TYR A 89 -10.495 10.412 -4.829 1.00 0.00 H new ATOM 1400 N ARG A 90 -4.238 7.741 -5.286 1.00 0.00 N ATOM 1401 CA ARG A 90 -3.690 8.999 -4.808 1.00 0.00 C ATOM 1402 C ARG A 90 -2.830 9.649 -5.893 1.00 0.00 C ATOM 1403 O ARG A 90 -2.705 10.871 -5.942 1.00 0.00 O ATOM 1404 CB ARG A 90 -2.842 8.789 -3.553 1.00 0.00 C ATOM 1405 CG ARG A 90 -3.137 9.865 -2.506 1.00 0.00 C ATOM 1406 CD ARG A 90 -2.194 11.059 -2.666 1.00 0.00 C ATOM 1407 NE ARG A 90 -2.954 12.323 -2.550 1.00 0.00 N ATOM 1408 CZ ARG A 90 -2.408 13.543 -2.664 1.00 0.00 C ATOM 1409 NH1 ARG A 90 -1.095 13.669 -2.898 1.00 0.00 N ATOM 1410 NH2 ARG A 90 -3.175 14.634 -2.544 1.00 0.00 N ATOM 0 H ARG A 90 -4.071 6.943 -4.673 1.00 0.00 H new ATOM 0 HA ARG A 90 -4.527 9.653 -4.562 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -3.044 7.803 -3.134 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -1.784 8.813 -3.816 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.170 10.198 -2.603 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -3.030 9.444 -1.506 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -1.415 11.022 -1.904 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -1.696 11.012 -3.634 1.00 0.00 H new ATOM 0 HE ARG A 90 -3.957 12.263 -2.372 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -0.511 12.838 -2.989 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -0.679 14.596 -2.985 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -4.175 14.538 -2.366 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -2.760 15.562 -2.631 1.00 0.00 H new ATOM 1424 N LEU A 91 -2.260 8.802 -6.739 1.00 0.00 N ATOM 1425 CA LEU A 91 -1.416 9.279 -7.820 1.00 0.00 C ATOM 1426 C LEU A 91 -2.250 9.401 -9.097 1.00 0.00 C ATOM 1427 O LEU A 91 -1.706 9.424 -10.200 1.00 0.00 O ATOM 1428 CB LEU A 91 -0.185 8.383 -7.975 1.00 0.00 C ATOM 1429 CG LEU A 91 0.615 8.117 -6.697 1.00 0.00 C ATOM 1430 CD1 LEU A 91 1.031 6.648 -6.608 1.00 0.00 C ATOM 1431 CD2 LEU A 91 1.815 9.061 -6.595 1.00 0.00 C ATOM 0 H LEU A 91 -2.367 7.788 -6.697 1.00 0.00 H new ATOM 0 HA LEU A 91 -1.032 10.273 -7.592 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.506 7.426 -8.385 1.00 0.00 H new ATOM 0 HB3 LEU A 91 0.481 8.837 -8.709 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.028 8.322 -5.841 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.598 6.485 -5.691 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.142 6.018 -6.601 1.00 0.00 H new ATOM 0 HD13 LEU A 91 1.650 6.393 -7.468 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.366 8.851 -5.678 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.469 8.912 -7.454 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.466 10.093 -6.580 1.00 0.00 H new ATOM 1443 N LYS A 92 -3.560 9.478 -8.906 1.00 0.00 N ATOM 1444 CA LYS A 92 -4.475 9.598 -10.028 1.00 0.00 C ATOM 1445 C LYS A 92 -4.397 8.329 -10.881 1.00 0.00 C ATOM 1446 O LYS A 92 -4.723 8.354 -12.066 1.00 0.00 O ATOM 1447 CB LYS A 92 -4.198 10.883 -10.810 1.00 0.00 C ATOM 1448 CG LYS A 92 -4.548 12.118 -9.977 1.00 0.00 C ATOM 1449 CD LYS A 92 -4.961 13.286 -10.875 1.00 0.00 C ATOM 1450 CE LYS A 92 -5.125 14.571 -10.062 1.00 0.00 C ATOM 1451 NZ LYS A 92 -4.957 15.758 -10.930 1.00 0.00 N ATOM 0 H LYS A 92 -4.009 9.460 -7.990 1.00 0.00 H new ATOM 0 HA LYS A 92 -5.503 9.683 -9.675 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -3.147 10.919 -11.097 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -4.780 10.885 -11.732 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -5.359 11.879 -9.289 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -3.690 12.407 -9.370 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -4.210 13.436 -11.651 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -5.898 13.048 -11.379 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -6.110 14.590 -9.596 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -4.391 14.595 -9.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -5.071 16.622 -10.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -4.008 15.746 -11.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -5.674 15.741 -11.683 1.00 0.00 H new ATOM 1465 N GLU A 93 -3.963 7.252 -10.244 1.00 0.00 N ATOM 1466 CA GLU A 93 -3.839 5.977 -10.930 1.00 0.00 C ATOM 1467 C GLU A 93 -5.098 5.134 -10.716 1.00 0.00 C ATOM 1468 O GLU A 93 -5.092 4.192 -9.925 1.00 0.00 O ATOM 1469 CB GLU A 93 -2.591 5.224 -10.465 1.00 0.00 C ATOM 1470 CG GLU A 93 -1.320 5.883 -11.006 1.00 0.00 C ATOM 1471 CD GLU A 93 -0.895 5.250 -12.332 1.00 0.00 C ATOM 1472 OE1 GLU A 93 -1.101 4.024 -12.467 1.00 0.00 O ATOM 1473 OE2 GLU A 93 -0.375 6.005 -13.181 1.00 0.00 O ATOM 0 H GLU A 93 -3.693 7.236 -9.261 1.00 0.00 H new ATOM 0 HA GLU A 93 -3.731 6.170 -11.997 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -2.559 5.204 -9.376 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -2.640 4.189 -10.802 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -1.491 6.950 -11.147 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -0.516 5.783 -10.277 1.00 0.00 H new ATOM 1480 N TYR A 94 -6.148 5.503 -11.435 1.00 0.00 N ATOM 1481 CA TYR A 94 -7.412 4.793 -11.334 1.00 0.00 C ATOM 1482 C TYR A 94 -7.326 3.423 -12.011 1.00 0.00 C ATOM 1483 O TYR A 94 -7.813 2.430 -11.474 1.00 0.00 O ATOM 1484 CB TYR A 94 -8.438 5.652 -12.075 1.00 0.00 C ATOM 1485 CG TYR A 94 -8.307 7.151 -11.802 1.00 0.00 C ATOM 1486 CD1 TYR A 94 -7.897 7.594 -10.561 1.00 0.00 C ATOM 1487 CD2 TYR A 94 -8.601 8.063 -12.796 1.00 0.00 C ATOM 1488 CE1 TYR A 94 -7.774 9.006 -10.304 1.00 0.00 C ATOM 1489 CE2 TYR A 94 -8.479 9.475 -12.539 1.00 0.00 C ATOM 1490 CZ TYR A 94 -8.071 9.876 -11.305 1.00 0.00 C ATOM 1491 OH TYR A 94 -7.955 11.209 -11.063 1.00 0.00 O ATOM 0 H TYR A 94 -6.149 6.285 -12.090 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.679 4.631 -10.290 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -8.337 5.478 -13.146 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -9.440 5.328 -11.793 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.668 6.882 -9.782 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -8.923 7.717 -13.767 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -7.453 9.365 -9.337 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -8.706 10.198 -13.308 1.00 0.00 H new ATOM 0 HH TYR A 94 -8.199 11.710 -11.869 1.00 0.00 H new ATOM 1501 N GLU A 95 -6.704 3.415 -13.181 1.00 0.00 N ATOM 1502 CA GLU A 95 -6.549 2.184 -13.937 1.00 0.00 C ATOM 1503 C GLU A 95 -5.992 1.077 -13.040 1.00 0.00 C ATOM 1504 O GLU A 95 -6.715 0.155 -12.666 1.00 0.00 O ATOM 1505 CB GLU A 95 -5.655 2.401 -15.159 1.00 0.00 C ATOM 1506 CG GLU A 95 -6.281 3.408 -16.126 1.00 0.00 C ATOM 1507 CD GLU A 95 -6.764 2.716 -17.402 1.00 0.00 C ATOM 1508 OE1 GLU A 95 -5.922 2.555 -18.313 1.00 0.00 O ATOM 1509 OE2 GLU A 95 -7.962 2.363 -17.439 1.00 0.00 O ATOM 0 H GLU A 95 -6.302 4.241 -13.624 1.00 0.00 H new ATOM 0 HA GLU A 95 -7.531 1.874 -14.296 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -4.677 2.759 -14.839 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -5.495 1.452 -15.670 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -7.118 3.911 -15.642 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -5.551 4.177 -16.379 1.00 0.00 H new ATOM 1516 N LYS A 96 -4.713 1.204 -12.721 1.00 0.00 N ATOM 1517 CA LYS A 96 -4.052 0.226 -11.874 1.00 0.00 C ATOM 1518 C LYS A 96 -4.880 0.012 -10.605 1.00 0.00 C ATOM 1519 O LYS A 96 -5.012 -1.114 -10.128 1.00 0.00 O ATOM 1520 CB LYS A 96 -2.605 0.645 -11.602 1.00 0.00 C ATOM 1521 CG LYS A 96 -1.758 0.547 -12.872 1.00 0.00 C ATOM 1522 CD LYS A 96 -1.362 -0.903 -13.157 1.00 0.00 C ATOM 1523 CE LYS A 96 -0.784 -1.045 -14.567 1.00 0.00 C ATOM 1524 NZ LYS A 96 -1.300 -2.272 -15.217 1.00 0.00 N ATOM 0 H LYS A 96 -4.116 1.970 -13.034 1.00 0.00 H new ATOM 0 HA LYS A 96 -3.991 -0.737 -12.380 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -2.584 1.667 -11.224 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -2.178 0.009 -10.826 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -2.317 0.948 -13.718 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -0.862 1.158 -12.764 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -0.627 -1.234 -12.423 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -2.233 -1.550 -13.050 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -1.047 -0.172 -15.164 1.00 0.00 H new ATOM 0 HE3 LYS A 96 0.304 -1.082 -14.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -0.898 -2.354 -16.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -1.028 -3.103 -14.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -2.337 -2.222 -15.280 1.00 0.00 H new ATOM 1538 N ALA A 97 -5.416 1.111 -10.095 1.00 0.00 N ATOM 1539 CA ALA A 97 -6.227 1.058 -8.892 1.00 0.00 C ATOM 1540 C ALA A 97 -7.369 0.060 -9.095 1.00 0.00 C ATOM 1541 O ALA A 97 -7.384 -1.005 -8.480 1.00 0.00 O ATOM 1542 CB ALA A 97 -6.733 2.462 -8.555 1.00 0.00 C ATOM 0 H ALA A 97 -5.304 2.043 -10.493 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.634 0.713 -8.045 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -7.342 2.422 -7.652 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -5.884 3.125 -8.391 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -7.334 2.840 -9.382 1.00 0.00 H new ATOM 1548 N LEU A 98 -8.298 0.441 -9.960 1.00 0.00 N ATOM 1549 CA LEU A 98 -9.441 -0.407 -10.252 1.00 0.00 C ATOM 1550 C LEU A 98 -8.959 -1.838 -10.497 1.00 0.00 C ATOM 1551 O LEU A 98 -9.345 -2.759 -9.778 1.00 0.00 O ATOM 1552 CB LEU A 98 -10.258 0.173 -11.408 1.00 0.00 C ATOM 1553 CG LEU A 98 -11.464 1.028 -11.014 1.00 0.00 C ATOM 1554 CD1 LEU A 98 -12.513 0.190 -10.280 1.00 0.00 C ATOM 1555 CD2 LEU A 98 -11.030 2.246 -10.198 1.00 0.00 C ATOM 0 H LEU A 98 -8.282 1.325 -10.468 1.00 0.00 H new ATOM 0 HA LEU A 98 -10.119 -0.440 -9.399 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -9.596 0.778 -12.027 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -10.609 -0.652 -12.028 1.00 0.00 H new ATOM 0 HG LEU A 98 -11.930 1.402 -11.926 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -13.360 0.821 -10.011 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -12.854 -0.617 -10.929 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -12.074 -0.232 -9.376 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -11.907 2.836 -9.931 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -10.526 1.915 -9.290 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -10.348 2.856 -10.790 1.00 0.00 H new ATOM 1567 N LYS A 99 -8.123 -1.981 -11.516 1.00 0.00 N ATOM 1568 CA LYS A 99 -7.585 -3.284 -11.865 1.00 0.00 C ATOM 1569 C LYS A 99 -7.315 -4.079 -10.586 1.00 0.00 C ATOM 1570 O LYS A 99 -7.525 -5.291 -10.547 1.00 0.00 O ATOM 1571 CB LYS A 99 -6.357 -3.134 -12.765 1.00 0.00 C ATOM 1572 CG LYS A 99 -6.617 -3.730 -14.150 1.00 0.00 C ATOM 1573 CD LYS A 99 -5.473 -3.400 -15.112 1.00 0.00 C ATOM 1574 CE LYS A 99 -5.644 -4.141 -16.441 1.00 0.00 C ATOM 1575 NZ LYS A 99 -4.687 -3.627 -17.447 1.00 0.00 N ATOM 0 H LYS A 99 -7.806 -1.215 -12.111 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.311 -3.851 -12.447 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -6.099 -2.079 -12.861 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.502 -3.631 -12.306 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -6.729 -4.811 -14.070 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -7.555 -3.341 -14.547 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -5.443 -2.325 -15.292 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -4.521 -3.674 -14.658 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -5.486 -5.209 -16.292 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -6.664 -4.018 -16.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -4.816 -4.140 -18.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -4.857 -2.613 -17.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -3.715 -3.767 -17.105 1.00 0.00 H new ATOM 1589 N TYR A 100 -6.854 -3.365 -9.569 1.00 0.00 N ATOM 1590 CA TYR A 100 -6.553 -3.989 -8.292 1.00 0.00 C ATOM 1591 C TYR A 100 -7.798 -4.050 -7.405 1.00 0.00 C ATOM 1592 O TYR A 100 -8.042 -5.056 -6.740 1.00 0.00 O ATOM 1593 CB TYR A 100 -5.508 -3.094 -7.622 1.00 0.00 C ATOM 1594 CG TYR A 100 -4.075 -3.620 -7.735 1.00 0.00 C ATOM 1595 CD1 TYR A 100 -3.831 -4.977 -7.674 1.00 0.00 C ATOM 1596 CD2 TYR A 100 -3.026 -2.738 -7.896 1.00 0.00 C ATOM 1597 CE1 TYR A 100 -2.483 -5.472 -7.779 1.00 0.00 C ATOM 1598 CE2 TYR A 100 -1.679 -3.232 -8.002 1.00 0.00 C ATOM 1599 CZ TYR A 100 -1.473 -4.575 -7.939 1.00 0.00 C ATOM 1600 OH TYR A 100 -0.200 -5.042 -8.038 1.00 0.00 O ATOM 0 H TYR A 100 -6.682 -2.360 -9.604 1.00 0.00 H new ATOM 0 HA TYR A 100 -6.199 -5.010 -8.437 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -5.556 -2.100 -8.068 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -5.762 -2.983 -6.568 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -4.651 -5.668 -7.547 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -3.216 -1.676 -7.942 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -2.278 -6.531 -7.732 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -0.850 -2.552 -8.129 1.00 0.00 H new ATOM 0 HH TYR A 100 0.383 -4.333 -8.383 1.00 0.00 H new ATOM 1610 N VAL A 101 -8.552 -2.961 -7.423 1.00 0.00 N ATOM 1611 CA VAL A 101 -9.767 -2.879 -6.629 1.00 0.00 C ATOM 1612 C VAL A 101 -10.760 -3.936 -7.113 1.00 0.00 C ATOM 1613 O VAL A 101 -11.268 -4.725 -6.317 1.00 0.00 O ATOM 1614 CB VAL A 101 -10.332 -1.457 -6.683 1.00 0.00 C ATOM 1615 CG1 VAL A 101 -11.790 -1.466 -7.146 1.00 0.00 C ATOM 1616 CG2 VAL A 101 -10.189 -0.758 -5.330 1.00 0.00 C ATOM 0 H VAL A 101 -8.346 -2.128 -7.974 1.00 0.00 H new ATOM 0 HA VAL A 101 -9.554 -3.090 -5.581 1.00 0.00 H new ATOM 0 HB VAL A 101 -9.752 -0.892 -7.413 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -12.169 -0.444 -7.176 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -11.853 -1.906 -8.141 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -12.389 -2.054 -6.451 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -10.598 0.250 -5.396 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -10.732 -1.321 -4.571 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -9.135 -0.705 -5.058 1.00 0.00 H new ATOM 1626 N ARG A 102 -11.008 -3.918 -8.414 1.00 0.00 N ATOM 1627 CA ARG A 102 -11.933 -4.866 -9.013 1.00 0.00 C ATOM 1628 C ARG A 102 -11.459 -6.300 -8.762 1.00 0.00 C ATOM 1629 O ARG A 102 -12.274 -7.214 -8.642 1.00 0.00 O ATOM 1630 CB ARG A 102 -12.059 -4.634 -10.519 1.00 0.00 C ATOM 1631 CG ARG A 102 -12.451 -3.187 -10.821 1.00 0.00 C ATOM 1632 CD ARG A 102 -13.882 -2.899 -10.361 1.00 0.00 C ATOM 1633 NE ARG A 102 -14.839 -3.259 -11.431 1.00 0.00 N ATOM 1634 CZ ARG A 102 -16.090 -2.783 -11.512 1.00 0.00 C ATOM 1635 NH1 ARG A 102 -16.541 -1.926 -10.587 1.00 0.00 N ATOM 1636 NH2 ARG A 102 -16.888 -3.165 -12.518 1.00 0.00 N ATOM 0 H ARG A 102 -10.585 -3.262 -9.071 1.00 0.00 H new ATOM 0 HA ARG A 102 -12.909 -4.716 -8.551 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -11.112 -4.867 -11.007 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -12.806 -5.311 -10.933 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -11.761 -2.508 -10.321 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -12.364 -2.999 -11.891 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -14.104 -3.467 -9.457 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -13.986 -1.844 -10.108 1.00 0.00 H new ATOM 0 HE ARG A 102 -14.528 -3.910 -12.152 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -15.933 -1.636 -9.821 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -17.493 -1.564 -10.648 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -16.544 -3.818 -13.222 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -17.840 -2.803 -12.580 1.00 0.00 H new ATOM 1650 N GLY A 103 -10.145 -6.451 -8.691 1.00 0.00 N ATOM 1651 CA GLY A 103 -9.554 -7.758 -8.457 1.00 0.00 C ATOM 1652 C GLY A 103 -9.476 -8.064 -6.960 1.00 0.00 C ATOM 1653 O GLY A 103 -8.964 -9.110 -6.562 1.00 0.00 O ATOM 0 H GLY A 103 -9.473 -5.690 -8.791 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -10.146 -8.524 -8.958 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -8.555 -7.792 -8.891 1.00 0.00 H new ATOM 1657 N LEU A 104 -9.991 -7.132 -6.170 1.00 0.00 N ATOM 1658 CA LEU A 104 -9.986 -7.289 -4.726 1.00 0.00 C ATOM 1659 C LEU A 104 -11.426 -7.401 -4.224 1.00 0.00 C ATOM 1660 O LEU A 104 -11.729 -8.239 -3.376 1.00 0.00 O ATOM 1661 CB LEU A 104 -9.190 -6.160 -4.067 1.00 0.00 C ATOM 1662 CG LEU A 104 -9.214 -6.127 -2.537 1.00 0.00 C ATOM 1663 CD1 LEU A 104 -10.482 -5.442 -2.023 1.00 0.00 C ATOM 1664 CD2 LEU A 104 -9.046 -7.532 -1.955 1.00 0.00 C ATOM 0 H LEU A 104 -10.414 -6.266 -6.503 1.00 0.00 H new ATOM 0 HA LEU A 104 -9.478 -8.212 -4.445 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.153 -6.235 -4.393 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.572 -5.209 -4.437 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.366 -5.533 -2.195 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -10.474 -5.432 -0.933 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -10.519 -4.418 -2.395 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -11.358 -5.987 -2.374 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -9.067 -7.480 -0.866 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -9.859 -8.170 -2.303 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -8.093 -7.949 -2.280 1.00 0.00 H new ATOM 1676 N LEU A 105 -12.277 -6.544 -4.770 1.00 0.00 N ATOM 1677 CA LEU A 105 -13.679 -6.536 -4.388 1.00 0.00 C ATOM 1678 C LEU A 105 -14.249 -7.949 -4.528 1.00 0.00 C ATOM 1679 O LEU A 105 -15.262 -8.276 -3.911 1.00 0.00 O ATOM 1680 CB LEU A 105 -14.446 -5.481 -5.188 1.00 0.00 C ATOM 1681 CG LEU A 105 -14.512 -4.084 -4.567 1.00 0.00 C ATOM 1682 CD1 LEU A 105 -15.485 -4.055 -3.386 1.00 0.00 C ATOM 1683 CD2 LEU A 105 -13.118 -3.594 -4.171 1.00 0.00 C ATOM 0 H LEU A 105 -12.022 -5.851 -5.474 1.00 0.00 H new ATOM 0 HA LEU A 105 -13.788 -6.250 -3.342 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -13.988 -5.397 -6.174 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -15.465 -5.838 -5.339 1.00 0.00 H new ATOM 0 HG LEU A 105 -14.895 -3.394 -5.319 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -15.513 -3.051 -2.963 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -16.482 -4.333 -3.729 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -15.154 -4.761 -2.624 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -13.193 -2.599 -3.732 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -12.684 -4.280 -3.443 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -12.482 -3.554 -5.055 1.00 0.00 H new ATOM 1695 N GLN A 106 -13.574 -8.747 -5.341 1.00 0.00 N ATOM 1696 CA GLN A 106 -14.001 -10.117 -5.569 1.00 0.00 C ATOM 1697 C GLN A 106 -13.975 -10.907 -4.259 1.00 0.00 C ATOM 1698 O GLN A 106 -14.982 -11.490 -3.862 1.00 0.00 O ATOM 1699 CB GLN A 106 -13.134 -10.791 -6.634 1.00 0.00 C ATOM 1700 CG GLN A 106 -13.857 -10.840 -7.981 1.00 0.00 C ATOM 1701 CD GLN A 106 -13.956 -12.276 -8.500 1.00 0.00 C ATOM 1702 OE1 GLN A 106 -14.798 -13.055 -8.088 1.00 0.00 O ATOM 1703 NE2 GLN A 106 -13.049 -12.580 -9.425 1.00 0.00 N ATOM 0 H GLN A 106 -12.734 -8.471 -5.850 1.00 0.00 H new ATOM 0 HA GLN A 106 -15.026 -10.101 -5.939 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -12.195 -10.247 -6.741 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -12.882 -11.803 -6.316 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -14.857 -10.418 -7.877 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -13.325 -10.224 -8.706 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -12.372 -11.879 -9.725 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -13.031 -13.514 -9.834 1.00 0.00 H new ATOM 1712 N THR A 107 -12.811 -10.900 -3.625 1.00 0.00 N ATOM 1713 CA THR A 107 -12.640 -11.608 -2.368 1.00 0.00 C ATOM 1714 C THR A 107 -13.115 -10.741 -1.199 1.00 0.00 C ATOM 1715 O THR A 107 -13.119 -11.188 -0.052 1.00 0.00 O ATOM 1716 CB THR A 107 -11.173 -12.027 -2.257 1.00 0.00 C ATOM 1717 OG1 THR A 107 -11.038 -12.461 -0.907 1.00 0.00 O ATOM 1718 CG2 THR A 107 -10.216 -10.839 -2.364 1.00 0.00 C ATOM 0 H THR A 107 -11.978 -10.415 -3.959 1.00 0.00 H new ATOM 0 HA THR A 107 -13.253 -12.508 -2.334 1.00 0.00 H new ATOM 0 HB THR A 107 -10.942 -12.751 -3.038 1.00 0.00 H new ATOM 0 HG1 THR A 107 -11.913 -12.435 -0.466 1.00 0.00 H new ATOM 0 HG21 THR A 107 -9.188 -11.191 -2.279 1.00 0.00 H new ATOM 0 HG22 THR A 107 -10.353 -10.347 -3.327 1.00 0.00 H new ATOM 0 HG23 THR A 107 -10.424 -10.131 -1.562 1.00 0.00 H new ATOM 1726 N GLU A 108 -13.504 -9.519 -1.529 1.00 0.00 N ATOM 1727 CA GLU A 108 -13.979 -8.587 -0.521 1.00 0.00 C ATOM 1728 C GLU A 108 -14.981 -7.607 -1.135 1.00 0.00 C ATOM 1729 O GLU A 108 -14.722 -6.405 -1.196 1.00 0.00 O ATOM 1730 CB GLU A 108 -12.813 -7.842 0.131 1.00 0.00 C ATOM 1731 CG GLU A 108 -11.715 -8.816 0.566 1.00 0.00 C ATOM 1732 CD GLU A 108 -10.543 -8.070 1.206 1.00 0.00 C ATOM 1733 OE1 GLU A 108 -10.303 -6.919 0.783 1.00 0.00 O ATOM 1734 OE2 GLU A 108 -9.913 -8.668 2.105 1.00 0.00 O ATOM 0 H GLU A 108 -13.500 -9.152 -2.481 1.00 0.00 H new ATOM 0 HA GLU A 108 -14.486 -9.154 0.260 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -12.403 -7.116 -0.571 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -13.172 -7.283 0.995 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -12.123 -9.536 1.275 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -11.363 -9.382 -0.297 1.00 0.00 H new ATOM 1741 N PRO A 109 -16.134 -8.169 -1.586 1.00 0.00 N ATOM 1742 CA PRO A 109 -17.175 -7.358 -2.193 1.00 0.00 C ATOM 1743 C PRO A 109 -17.938 -6.562 -1.132 1.00 0.00 C ATOM 1744 O PRO A 109 -18.160 -5.363 -1.292 1.00 0.00 O ATOM 1745 CB PRO A 109 -18.055 -8.345 -2.943 1.00 0.00 C ATOM 1746 CG PRO A 109 -17.748 -9.710 -2.350 1.00 0.00 C ATOM 1747 CD PRO A 109 -16.474 -9.588 -1.531 1.00 0.00 C ATOM 0 HA PRO A 109 -16.779 -6.603 -2.872 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -19.110 -8.096 -2.825 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -17.841 -8.326 -4.012 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -18.573 -10.048 -1.723 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -17.624 -10.450 -3.140 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -16.630 -9.919 -0.504 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -15.676 -10.203 -1.946 1.00 0.00 H new ATOM 1755 N GLN A 110 -18.318 -7.262 -0.073 1.00 0.00 N ATOM 1756 CA GLN A 110 -19.051 -6.636 1.013 1.00 0.00 C ATOM 1757 C GLN A 110 -18.177 -5.594 1.713 1.00 0.00 C ATOM 1758 O GLN A 110 -18.689 -4.671 2.346 1.00 0.00 O ATOM 1759 CB GLN A 110 -19.559 -7.683 2.007 1.00 0.00 C ATOM 1760 CG GLN A 110 -18.433 -8.154 2.929 1.00 0.00 C ATOM 1761 CD GLN A 110 -18.956 -9.148 3.969 1.00 0.00 C ATOM 1762 OE1 GLN A 110 -19.441 -8.782 5.027 1.00 0.00 O ATOM 1763 NE2 GLN A 110 -18.829 -10.422 3.610 1.00 0.00 N ATOM 0 H GLN A 110 -18.132 -8.257 0.056 1.00 0.00 H new ATOM 0 HA GLN A 110 -19.920 -6.129 0.594 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -20.369 -7.262 2.602 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -19.971 -8.535 1.465 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -17.645 -8.621 2.338 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -17.987 -7.296 3.432 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -18.414 -10.659 2.709 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -19.147 -11.162 4.236 1.00 0.00 H new ATOM 1772 N ASN A 111 -16.871 -5.776 1.576 1.00 0.00 N ATOM 1773 CA ASN A 111 -15.920 -4.862 2.188 1.00 0.00 C ATOM 1774 C ASN A 111 -16.191 -3.442 1.688 1.00 0.00 C ATOM 1775 O ASN A 111 -16.148 -3.184 0.486 1.00 0.00 O ATOM 1776 CB ASN A 111 -14.483 -5.231 1.810 1.00 0.00 C ATOM 1777 CG ASN A 111 -13.506 -4.138 2.246 1.00 0.00 C ATOM 1778 OD1 ASN A 111 -13.847 -3.216 2.969 1.00 0.00 O ATOM 1779 ND2 ASN A 111 -12.274 -4.291 1.768 1.00 0.00 N ATOM 0 H ASN A 111 -16.449 -6.542 1.051 1.00 0.00 H new ATOM 0 HA ASN A 111 -16.037 -4.926 3.270 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -14.211 -6.176 2.279 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -14.413 -5.378 0.732 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -11.548 -3.613 2.002 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -12.055 -5.086 1.168 1.00 0.00 H new ATOM 1786 N ASN A 112 -16.462 -2.557 2.636 1.00 0.00 N ATOM 1787 CA ASN A 112 -16.740 -1.169 2.308 1.00 0.00 C ATOM 1788 C ASN A 112 -15.442 -0.482 1.877 1.00 0.00 C ATOM 1789 O ASN A 112 -15.400 0.179 0.841 1.00 0.00 O ATOM 1790 CB ASN A 112 -17.292 -0.417 3.521 1.00 0.00 C ATOM 1791 CG ASN A 112 -18.334 -1.258 4.260 1.00 0.00 C ATOM 1792 OD1 ASN A 112 -19.500 -1.302 3.905 1.00 0.00 O ATOM 1793 ND2 ASN A 112 -17.849 -1.922 5.306 1.00 0.00 N ATOM 0 H ASN A 112 -16.495 -2.774 3.632 1.00 0.00 H new ATOM 0 HA ASN A 112 -17.478 -1.153 1.506 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -16.476 -0.164 4.199 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -17.741 0.522 3.198 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -18.465 -2.512 5.865 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -16.862 -1.841 5.549 1.00 0.00 H new ATOM 1800 N GLN A 113 -14.414 -0.664 2.694 1.00 0.00 N ATOM 1801 CA GLN A 113 -13.118 -0.071 2.410 1.00 0.00 C ATOM 1802 C GLN A 113 -12.822 -0.137 0.910 1.00 0.00 C ATOM 1803 O GLN A 113 -12.381 0.846 0.317 1.00 0.00 O ATOM 1804 CB GLN A 113 -12.013 -0.753 3.218 1.00 0.00 C ATOM 1805 CG GLN A 113 -12.168 -0.462 4.712 1.00 0.00 C ATOM 1806 CD GLN A 113 -12.153 -1.757 5.528 1.00 0.00 C ATOM 1807 OE1 GLN A 113 -11.172 -2.481 5.573 1.00 0.00 O ATOM 1808 NE2 GLN A 113 -13.294 -2.005 6.167 1.00 0.00 N ATOM 0 H GLN A 113 -14.453 -1.214 3.552 1.00 0.00 H new ATOM 0 HA GLN A 113 -13.146 0.977 2.709 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -12.045 -1.829 3.048 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -11.039 -0.405 2.875 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -11.361 0.191 5.045 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -13.102 0.072 4.887 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -14.076 -1.355 6.085 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -13.386 -2.845 6.739 1.00 0.00 H new ATOM 1817 N ALA A 114 -13.075 -1.306 0.341 1.00 0.00 N ATOM 1818 CA ALA A 114 -12.840 -1.514 -1.079 1.00 0.00 C ATOM 1819 C ALA A 114 -13.952 -0.834 -1.880 1.00 0.00 C ATOM 1820 O ALA A 114 -13.682 0.028 -2.716 1.00 0.00 O ATOM 1821 CB ALA A 114 -12.748 -3.013 -1.367 1.00 0.00 C ATOM 0 H ALA A 114 -13.440 -2.119 0.837 1.00 0.00 H new ATOM 0 HA ALA A 114 -11.894 -1.065 -1.381 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -12.572 -3.169 -2.431 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -11.925 -3.443 -0.796 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -13.681 -3.497 -1.079 1.00 0.00 H new ATOM 1827 N LYS A 115 -15.179 -1.246 -1.596 1.00 0.00 N ATOM 1828 CA LYS A 115 -16.333 -0.687 -2.280 1.00 0.00 C ATOM 1829 C LYS A 115 -16.145 0.823 -2.439 1.00 0.00 C ATOM 1830 O LYS A 115 -15.983 1.319 -3.553 1.00 0.00 O ATOM 1831 CB LYS A 115 -17.624 -1.072 -1.555 1.00 0.00 C ATOM 1832 CG LYS A 115 -18.128 -2.439 -2.022 1.00 0.00 C ATOM 1833 CD LYS A 115 -19.483 -2.768 -1.392 1.00 0.00 C ATOM 1834 CE LYS A 115 -20.469 -3.274 -2.447 1.00 0.00 C ATOM 1835 NZ LYS A 115 -21.840 -3.328 -1.890 1.00 0.00 N ATOM 0 H LYS A 115 -15.399 -1.960 -0.902 1.00 0.00 H new ATOM 0 HA LYS A 115 -16.420 -1.105 -3.283 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -17.449 -1.093 -0.479 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -18.388 -0.316 -1.739 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -18.217 -2.446 -3.108 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -17.403 -3.208 -1.756 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -19.354 -3.524 -0.617 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -19.888 -1.880 -0.907 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -20.449 -2.618 -3.317 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -20.169 -4.265 -2.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -22.497 -3.673 -2.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -21.858 -3.972 -1.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -22.129 -2.376 -1.586 1.00 0.00 H new ATOM 1849 N GLU A 116 -16.171 1.513 -1.308 1.00 0.00 N ATOM 1850 CA GLU A 116 -16.004 2.957 -1.307 1.00 0.00 C ATOM 1851 C GLU A 116 -14.922 3.367 -2.308 1.00 0.00 C ATOM 1852 O GLU A 116 -15.204 4.057 -3.286 1.00 0.00 O ATOM 1853 CB GLU A 116 -15.677 3.470 0.096 1.00 0.00 C ATOM 1854 CG GLU A 116 -16.933 3.999 0.793 1.00 0.00 C ATOM 1855 CD GLU A 116 -17.420 5.293 0.138 1.00 0.00 C ATOM 1856 OE1 GLU A 116 -16.560 6.168 -0.098 1.00 0.00 O ATOM 1857 OE2 GLU A 116 -18.642 5.378 -0.112 1.00 0.00 O ATOM 0 H GLU A 116 -16.305 1.099 -0.386 1.00 0.00 H new ATOM 0 HA GLU A 116 -16.946 3.412 -1.614 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -15.239 2.666 0.688 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -14.931 4.262 0.033 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -17.721 3.247 0.751 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -16.720 4.178 1.847 1.00 0.00 H new ATOM 1864 N LEU A 117 -13.704 2.924 -2.029 1.00 0.00 N ATOM 1865 CA LEU A 117 -12.579 3.237 -2.892 1.00 0.00 C ATOM 1866 C LEU A 117 -13.023 3.153 -4.353 1.00 0.00 C ATOM 1867 O LEU A 117 -13.020 4.157 -5.065 1.00 0.00 O ATOM 1868 CB LEU A 117 -11.384 2.339 -2.560 1.00 0.00 C ATOM 1869 CG LEU A 117 -10.116 2.580 -3.381 1.00 0.00 C ATOM 1870 CD1 LEU A 117 -9.789 4.072 -3.459 1.00 0.00 C ATOM 1871 CD2 LEU A 117 -8.944 1.764 -2.832 1.00 0.00 C ATOM 0 H LEU A 117 -13.473 2.351 -1.217 1.00 0.00 H new ATOM 0 HA LEU A 117 -12.240 4.258 -2.720 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -11.140 2.467 -1.505 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -11.687 1.300 -2.693 1.00 0.00 H new ATOM 0 HG LEU A 117 -10.298 2.237 -4.399 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -8.883 4.216 -4.048 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -10.617 4.602 -3.931 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -9.634 4.464 -2.454 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -8.055 1.954 -3.434 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -8.751 2.053 -1.799 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -9.189 0.703 -2.872 1.00 0.00 H new ATOM 1883 N GLU A 118 -13.395 1.949 -4.757 1.00 0.00 N ATOM 1884 CA GLU A 118 -13.842 1.721 -6.121 1.00 0.00 C ATOM 1885 C GLU A 118 -14.684 2.902 -6.607 1.00 0.00 C ATOM 1886 O GLU A 118 -14.419 3.464 -7.669 1.00 0.00 O ATOM 1887 CB GLU A 118 -14.622 0.410 -6.231 1.00 0.00 C ATOM 1888 CG GLU A 118 -15.184 0.223 -7.643 1.00 0.00 C ATOM 1889 CD GLU A 118 -16.698 0.442 -7.663 1.00 0.00 C ATOM 1890 OE1 GLU A 118 -17.361 -0.092 -6.748 1.00 0.00 O ATOM 1891 OE2 GLU A 118 -17.158 1.138 -8.594 1.00 0.00 O ATOM 0 H GLU A 118 -13.396 1.119 -4.164 1.00 0.00 H new ATOM 0 HA GLU A 118 -12.964 1.637 -6.761 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -13.970 -0.427 -5.981 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -15.437 0.406 -5.508 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -14.702 0.923 -8.326 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -14.953 -0.781 -8.000 1.00 0.00 H new ATOM 1898 N ARG A 119 -15.683 3.245 -5.807 1.00 0.00 N ATOM 1899 CA ARG A 119 -16.565 4.349 -6.144 1.00 0.00 C ATOM 1900 C ARG A 119 -15.806 5.676 -6.075 1.00 0.00 C ATOM 1901 O ARG A 119 -16.039 6.571 -6.885 1.00 0.00 O ATOM 1902 CB ARG A 119 -17.764 4.406 -5.193 1.00 0.00 C ATOM 1903 CG ARG A 119 -18.968 3.673 -5.786 1.00 0.00 C ATOM 1904 CD ARG A 119 -20.245 4.502 -5.627 1.00 0.00 C ATOM 1905 NE ARG A 119 -20.779 4.869 -6.957 1.00 0.00 N ATOM 1906 CZ ARG A 119 -21.844 5.659 -7.146 1.00 0.00 C ATOM 1907 NH1 ARG A 119 -22.496 6.171 -6.093 1.00 0.00 N ATOM 1908 NH2 ARG A 119 -22.259 5.939 -8.391 1.00 0.00 N ATOM 0 H ARG A 119 -15.901 2.778 -4.927 1.00 0.00 H new ATOM 0 HA ARG A 119 -16.927 4.186 -7.159 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -17.496 3.958 -4.236 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -18.027 5.445 -4.996 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -18.791 3.470 -6.842 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -19.091 2.709 -5.292 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -20.990 3.934 -5.071 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -20.034 5.402 -5.049 1.00 0.00 H new ATOM 0 HE ARG A 119 -20.307 4.497 -7.781 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -22.181 5.959 -5.146 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -23.307 6.772 -6.238 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -21.763 5.550 -9.193 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -23.070 6.541 -8.535 1.00 0.00 H new ATOM 1922 N LEU A 120 -14.912 5.760 -5.100 1.00 0.00 N ATOM 1923 CA LEU A 120 -14.117 6.961 -4.915 1.00 0.00 C ATOM 1924 C LEU A 120 -13.364 7.274 -6.210 1.00 0.00 C ATOM 1925 O LEU A 120 -13.375 8.410 -6.681 1.00 0.00 O ATOM 1926 CB LEU A 120 -13.207 6.819 -3.694 1.00 0.00 C ATOM 1927 CG LEU A 120 -13.909 6.773 -2.335 1.00 0.00 C ATOM 1928 CD1 LEU A 120 -12.936 6.365 -1.228 1.00 0.00 C ATOM 1929 CD2 LEU A 120 -14.599 8.105 -2.030 1.00 0.00 C ATOM 0 H LEU A 120 -14.721 5.015 -4.430 1.00 0.00 H new ATOM 0 HA LEU A 120 -14.761 7.815 -4.706 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -12.619 5.908 -3.808 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -12.505 7.653 -3.690 1.00 0.00 H new ATOM 0 HG LEU A 120 -14.686 6.009 -2.377 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -13.461 6.340 -0.273 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -12.531 5.376 -1.445 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -12.121 7.087 -1.175 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -15.090 8.046 -1.059 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -13.857 8.904 -2.014 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -15.341 8.315 -2.800 1.00 0.00 H new ATOM 1941 N ILE A 121 -12.727 6.244 -6.750 1.00 0.00 N ATOM 1942 CA ILE A 121 -11.971 6.395 -7.981 1.00 0.00 C ATOM 1943 C ILE A 121 -12.915 6.822 -9.106 1.00 0.00 C ATOM 1944 O ILE A 121 -12.549 7.634 -9.954 1.00 0.00 O ATOM 1945 CB ILE A 121 -11.187 5.117 -8.288 1.00 0.00 C ATOM 1946 CG1 ILE A 121 -10.169 4.820 -7.184 1.00 0.00 C ATOM 1947 CG2 ILE A 121 -10.530 5.194 -9.667 1.00 0.00 C ATOM 1948 CD1 ILE A 121 -10.362 3.410 -6.625 1.00 0.00 C ATOM 0 H ILE A 121 -12.719 5.303 -6.357 1.00 0.00 H new ATOM 0 HA ILE A 121 -11.225 7.182 -7.875 1.00 0.00 H new ATOM 0 HB ILE A 121 -11.889 4.283 -8.312 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -9.158 4.923 -7.579 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -10.274 5.551 -6.382 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -9.979 4.273 -9.860 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -11.298 5.324 -10.429 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -9.843 6.040 -9.696 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -9.626 3.225 -5.843 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -11.365 3.318 -6.209 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -10.232 2.681 -7.425 1.00 0.00 H new ATOM 1960 N ASP A 122 -14.112 6.254 -9.078 1.00 0.00 N ATOM 1961 CA ASP A 122 -15.112 6.565 -10.085 1.00 0.00 C ATOM 1962 C ASP A 122 -15.242 8.084 -10.215 1.00 0.00 C ATOM 1963 O ASP A 122 -15.246 8.618 -11.324 1.00 0.00 O ATOM 1964 CB ASP A 122 -16.481 6.005 -9.694 1.00 0.00 C ATOM 1965 CG ASP A 122 -17.428 5.737 -10.865 1.00 0.00 C ATOM 1966 OD1 ASP A 122 -17.006 6.007 -12.010 1.00 0.00 O ATOM 1967 OD2 ASP A 122 -18.554 5.269 -10.588 1.00 0.00 O ATOM 0 H ASP A 122 -14.412 5.580 -8.373 1.00 0.00 H new ATOM 0 HA ASP A 122 -14.794 6.115 -11.026 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -16.333 5.075 -9.146 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -16.962 6.705 -9.011 1.00 0.00 H new ATOM 1972 N LYS A 123 -15.347 8.738 -9.067 1.00 0.00 N ATOM 1973 CA LYS A 123 -15.478 10.184 -9.039 1.00 0.00 C ATOM 1974 C LYS A 123 -14.193 10.819 -9.574 1.00 0.00 C ATOM 1975 O LYS A 123 -14.241 11.693 -10.439 1.00 0.00 O ATOM 1976 CB LYS A 123 -15.861 10.661 -7.636 1.00 0.00 C ATOM 1977 CG LYS A 123 -17.286 10.234 -7.282 1.00 0.00 C ATOM 1978 CD LYS A 123 -17.594 10.516 -5.810 1.00 0.00 C ATOM 1979 CE LYS A 123 -18.226 9.295 -5.138 1.00 0.00 C ATOM 1980 NZ LYS A 123 -18.522 9.582 -3.716 1.00 0.00 N ATOM 0 H LYS A 123 -15.344 8.292 -8.150 1.00 0.00 H new ATOM 0 HA LYS A 123 -16.289 10.505 -9.692 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -15.163 10.252 -6.906 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -15.779 11.747 -7.582 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -17.997 10.766 -7.914 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -17.412 9.171 -7.486 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -16.676 10.788 -5.289 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -18.269 11.368 -5.733 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -19.143 9.020 -5.658 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -17.551 8.442 -5.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -18.950 8.743 -3.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -17.640 9.822 -3.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -19.184 10.382 -3.654 1.00 0.00 H new ATOM 1994 N ALA A 124 -13.074 10.354 -9.040 1.00 0.00 N ATOM 1995 CA ALA A 124 -11.778 10.864 -9.453 1.00 0.00 C ATOM 1996 C ALA A 124 -11.745 10.984 -10.978 1.00 0.00 C ATOM 1997 O ALA A 124 -11.570 12.077 -11.514 1.00 0.00 O ATOM 1998 CB ALA A 124 -10.674 9.952 -8.915 1.00 0.00 C ATOM 0 H ALA A 124 -13.038 9.629 -8.324 1.00 0.00 H new ATOM 0 HA ALA A 124 -11.608 11.858 -9.040 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -9.702 10.335 -9.225 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -10.723 9.925 -7.826 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -10.810 8.945 -9.309 1.00 0.00 H new ATOM 2004 N MET A 125 -11.914 9.845 -11.633 1.00 0.00 N ATOM 2005 CA MET A 125 -11.905 9.809 -13.084 1.00 0.00 C ATOM 2006 C MET A 125 -12.724 10.962 -13.668 1.00 0.00 C ATOM 2007 O MET A 125 -12.222 11.737 -14.481 1.00 0.00 O ATOM 2008 CB MET A 125 -12.486 8.477 -13.565 1.00 0.00 C ATOM 2009 CG MET A 125 -11.700 7.297 -12.989 1.00 0.00 C ATOM 2010 SD MET A 125 -11.046 6.292 -14.312 1.00 0.00 S ATOM 2011 CE MET A 125 -11.002 4.702 -13.501 1.00 0.00 C ATOM 0 H MET A 125 -12.058 8.940 -11.185 1.00 0.00 H new ATOM 0 HA MET A 125 -10.874 9.912 -13.424 1.00 0.00 H new ATOM 0 HB2 MET A 125 -13.532 8.403 -13.266 1.00 0.00 H new ATOM 0 HB3 MET A 125 -12.462 8.438 -14.654 1.00 0.00 H new ATOM 0 HG2 MET A 125 -10.886 7.663 -12.363 1.00 0.00 H new ATOM 0 HG3 MET A 125 -12.347 6.696 -12.351 1.00 0.00 H new ATOM 0 HE1 MET A 125 -10.037 4.228 -13.681 1.00 0.00 H new ATOM 0 HE2 MET A 125 -11.146 4.836 -12.429 1.00 0.00 H new ATOM 0 HE3 MET A 125 -11.796 4.069 -13.898 1.00 0.00 H new ATOM 2021 N LYS A 126 -13.973 11.039 -13.230 1.00 0.00 N ATOM 2022 CA LYS A 126 -14.867 12.085 -13.697 1.00 0.00 C ATOM 2023 C LYS A 126 -14.264 13.451 -13.365 1.00 0.00 C ATOM 2024 O LYS A 126 -14.223 14.340 -14.215 1.00 0.00 O ATOM 2025 CB LYS A 126 -16.274 11.879 -13.132 1.00 0.00 C ATOM 2026 CG LYS A 126 -17.281 11.614 -14.252 1.00 0.00 C ATOM 2027 CD LYS A 126 -18.050 12.887 -14.611 1.00 0.00 C ATOM 2028 CE LYS A 126 -18.234 13.008 -16.126 1.00 0.00 C ATOM 2029 NZ LYS A 126 -19.670 13.110 -16.466 1.00 0.00 N ATOM 0 H LYS A 126 -14.386 10.394 -12.557 1.00 0.00 H new ATOM 0 HA LYS A 126 -14.974 12.039 -14.781 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -16.271 11.041 -12.435 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -16.576 12.761 -12.568 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -16.760 11.239 -15.133 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -17.980 10.838 -13.941 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -19.024 12.878 -14.122 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -17.513 13.758 -14.235 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -17.704 13.886 -16.494 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -17.797 12.141 -16.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -19.778 13.191 -17.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -20.167 12.260 -16.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -20.076 13.951 -16.008 1.00 0.00 H new ATOM 2043 N LYS A 127 -13.810 13.578 -12.126 1.00 0.00 N ATOM 2044 CA LYS A 127 -13.211 14.820 -11.671 1.00 0.00 C ATOM 2045 C LYS A 127 -12.098 15.229 -12.639 1.00 0.00 C ATOM 2046 O LYS A 127 -12.078 16.358 -13.126 1.00 0.00 O ATOM 2047 CB LYS A 127 -12.748 14.692 -10.219 1.00 0.00 C ATOM 2048 CG LYS A 127 -13.943 14.600 -9.268 1.00 0.00 C ATOM 2049 CD LYS A 127 -13.608 13.742 -8.047 1.00 0.00 C ATOM 2050 CE LYS A 127 -14.102 14.403 -6.759 1.00 0.00 C ATOM 2051 NZ LYS A 127 -13.921 13.493 -5.607 1.00 0.00 N ATOM 0 H LYS A 127 -13.846 12.840 -11.423 1.00 0.00 H new ATOM 0 HA LYS A 127 -13.948 15.623 -11.675 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -12.123 13.806 -10.110 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -12.132 15.551 -9.953 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -14.233 15.600 -8.945 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -14.798 14.174 -9.793 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -14.065 12.758 -8.153 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -12.530 13.588 -7.991 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -13.556 15.330 -6.587 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -15.155 14.667 -6.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -14.261 13.957 -4.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -14.462 12.619 -5.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -12.912 13.262 -5.502 1.00 0.00 H new