USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 681 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 109 TYR OH : rot 30:sc= -0.639 USER MOD Set 1.2: A 110 ASN : amide:sc= -2 K(o=-2.6,f=-4!) USER MOD Set 1.3: A 113 LYS NZ :NH3+ -112:sc= 0.0186 (180deg=0) USER MOD Set 2.1: A 102 TYR OH : rot -155:sc= -5.61! USER MOD Set 2.2: A 106 GLN : amide:sc= -2.64 X(o=-8.3,f=-8.3!) USER MOD Set 3.1: A 40 GLN : amide:sc= -0.083 K(o=-3,f=-5.2!) USER MOD Set 3.2: A 72 CYS SG : rot 27:sc= -2.92! USER MOD Single : A 27 THR OG1 : rot 178:sc= -3.07! USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.0853 K(o=-0.085,f=-0.64) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 66:sc= 0.894 USER MOD Single : A 46 LYS NZ :NH3+ 141:sc= 1.24 (180deg=1.06) USER MOD Single : A 48 CYS SG : rot -45:sc= -9.96! USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 179:sc= -3.37! (180deg=-3.38!) USER MOD Single : A 66 THR OG1 : rot -45:sc= 0.912 USER MOD Single : A 71 ASN : amide:sc= -1.84 K(o=-1.8,f=-2.8!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 89:sc= 1.12 USER MOD Single : A 78 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0575) USER MOD Single : A 81 SER OG : rot 84:sc= 1.07 USER MOD Single : A 82 ASN : amide:sc= -5.6! C(o=-5.6!,f=-2.6!) USER MOD Single : A 86 HIS : no HD1:sc= -2.03! K(o=-2!,f=-0.87) USER MOD Single : A 87 GLN : amide:sc= -6.97! C(o=-7!,f=-6.7!) USER MOD Single : A 88 ASN : amide:sc= -0.598 K(o=-0.6,f=-4.1!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot -47:sc= 1.08 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -1.21 K(o=-1.2,f=-2.1!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 108:sc= 1.04 USER MOD Single : A 101 LYS NZ :NH3+ -137:sc= -0.0268 (180deg=-0.421) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 111 GLN : amide:sc= -1.57 K(o=-1.6,f=-2.5!) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 70 N THR A 27 -20.371 2.737 -3.551 1.00 0.00 N ATOM 71 CA THR A 27 -19.077 3.279 -3.907 1.00 0.00 C ATOM 72 C THR A 27 -18.426 3.877 -2.663 1.00 0.00 C ATOM 73 O THR A 27 -17.209 3.820 -2.495 1.00 0.00 O ATOM 74 CB THR A 27 -19.232 4.323 -5.019 1.00 0.00 C ATOM 75 OG1 THR A 27 -18.812 3.793 -6.263 1.00 0.00 O ATOM 76 CG2 THR A 27 -18.450 5.590 -4.777 1.00 0.00 C ATOM 0 HA THR A 27 -18.432 2.487 -4.288 1.00 0.00 H new ATOM 0 HB THR A 27 -20.293 4.572 -5.027 1.00 0.00 H new ATOM 0 HG1 THR A 27 -18.949 4.461 -6.966 1.00 0.00 H new ATOM 0 HG21 THR A 27 -18.610 6.280 -5.606 1.00 0.00 H new ATOM 0 HG22 THR A 27 -18.786 6.053 -3.849 1.00 0.00 H new ATOM 0 HG23 THR A 27 -17.389 5.354 -4.701 1.00 0.00 H new ATOM 84 N LYS A 28 -19.257 4.427 -1.776 1.00 0.00 N ATOM 85 CA LYS A 28 -18.766 5.006 -0.531 1.00 0.00 C ATOM 86 C LYS A 28 -17.935 3.971 0.214 1.00 0.00 C ATOM 87 O LYS A 28 -16.896 4.284 0.795 1.00 0.00 O ATOM 88 CB LYS A 28 -19.935 5.463 0.345 1.00 0.00 C ATOM 89 CG LYS A 28 -19.630 6.689 1.191 1.00 0.00 C ATOM 90 CD LYS A 28 -19.097 7.837 0.348 1.00 0.00 C ATOM 91 CE LYS A 28 -17.603 8.032 0.554 1.00 0.00 C ATOM 92 NZ LYS A 28 -17.038 9.038 -0.387 1.00 0.00 N ATOM 0 H LYS A 28 -20.268 4.482 -1.898 1.00 0.00 H new ATOM 0 HA LYS A 28 -18.148 5.873 -0.763 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -20.792 5.679 -0.293 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -20.225 4.643 1.002 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -20.535 7.008 1.709 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -18.899 6.430 1.957 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -19.298 7.640 -0.705 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -19.624 8.755 0.607 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -17.417 8.350 1.580 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -17.091 7.080 0.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -16.018 9.141 -0.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -17.193 8.723 -1.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -17.508 9.954 -0.240 1.00 0.00 H new ATOM 106 N GLU A 29 -18.402 2.727 0.168 1.00 0.00 N ATOM 107 CA GLU A 29 -17.710 1.623 0.811 1.00 0.00 C ATOM 108 C GLU A 29 -16.355 1.409 0.150 1.00 0.00 C ATOM 109 O GLU A 29 -15.365 1.107 0.816 1.00 0.00 O ATOM 110 CB GLU A 29 -18.551 0.349 0.716 1.00 0.00 C ATOM 111 CG GLU A 29 -19.404 0.093 1.947 1.00 0.00 C ATOM 112 CD GLU A 29 -18.598 -0.445 3.113 1.00 0.00 C ATOM 113 OE1 GLU A 29 -17.970 -1.514 2.958 1.00 0.00 O ATOM 114 OE2 GLU A 29 -18.593 0.203 4.181 1.00 0.00 O ATOM 0 H GLU A 29 -19.262 2.461 -0.312 1.00 0.00 H new ATOM 0 HA GLU A 29 -17.557 1.863 1.863 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -19.199 0.415 -0.158 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -17.889 -0.503 0.559 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -19.893 1.021 2.245 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -20.193 -0.617 1.697 1.00 0.00 H new ATOM 121 N LEU A 30 -16.321 1.582 -1.168 1.00 0.00 N ATOM 122 CA LEU A 30 -15.088 1.424 -1.929 1.00 0.00 C ATOM 123 C LEU A 30 -14.074 2.482 -1.515 1.00 0.00 C ATOM 124 O LEU A 30 -12.939 2.165 -1.159 1.00 0.00 O ATOM 125 CB LEU A 30 -15.376 1.521 -3.429 1.00 0.00 C ATOM 126 CG LEU A 30 -14.173 1.861 -4.311 1.00 0.00 C ATOM 127 CD1 LEU A 30 -13.157 0.731 -4.282 1.00 0.00 C ATOM 128 CD2 LEU A 30 -14.622 2.150 -5.735 1.00 0.00 C ATOM 0 H LEU A 30 -17.134 1.832 -1.731 1.00 0.00 H new ATOM 0 HA LEU A 30 -14.670 0.440 -1.718 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.792 0.571 -3.763 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -16.144 2.278 -3.585 1.00 0.00 H new ATOM 0 HG LEU A 30 -13.695 2.758 -3.917 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -12.308 0.989 -4.915 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -12.814 0.576 -3.259 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -13.620 -0.184 -4.652 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -13.754 2.390 -6.349 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -15.124 1.273 -6.143 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -15.311 2.995 -5.735 1.00 0.00 H new ATOM 140 N SER A 31 -14.497 3.743 -1.554 1.00 0.00 N ATOM 141 CA SER A 31 -13.628 4.850 -1.169 1.00 0.00 C ATOM 142 C SER A 31 -13.053 4.608 0.223 1.00 0.00 C ATOM 143 O SER A 31 -11.987 5.119 0.562 1.00 0.00 O ATOM 144 CB SER A 31 -14.403 6.169 -1.195 1.00 0.00 C ATOM 145 OG SER A 31 -13.522 7.278 -1.158 1.00 0.00 O ATOM 0 H SER A 31 -15.433 4.022 -1.847 1.00 0.00 H new ATOM 0 HA SER A 31 -12.807 4.913 -1.884 1.00 0.00 H new ATOM 0 HB2 SER A 31 -15.016 6.217 -2.095 1.00 0.00 H new ATOM 0 HB3 SER A 31 -15.083 6.212 -0.344 1.00 0.00 H new ATOM 0 HG SER A 31 -14.041 8.109 -1.177 1.00 0.00 H new ATOM 151 N ASN A 32 -13.760 3.808 1.022 1.00 0.00 N ATOM 152 CA ASN A 32 -13.308 3.481 2.366 1.00 0.00 C ATOM 153 C ASN A 32 -12.085 2.580 2.286 1.00 0.00 C ATOM 154 O ASN A 32 -11.123 2.748 3.035 1.00 0.00 O ATOM 155 CB ASN A 32 -14.426 2.794 3.157 1.00 0.00 C ATOM 156 CG ASN A 32 -14.944 3.654 4.292 1.00 0.00 C ATOM 157 OD1 ASN A 32 -14.174 4.327 4.978 1.00 0.00 O ATOM 158 ND2 ASN A 32 -16.256 3.636 4.497 1.00 0.00 N ATOM 0 H ASN A 32 -14.646 3.377 0.758 1.00 0.00 H new ATOM 0 HA ASN A 32 -13.041 4.402 2.885 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -15.248 2.553 2.483 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -14.056 1.851 3.559 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -16.663 4.195 5.247 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -16.857 3.064 3.904 1.00 0.00 H new ATOM 165 N LEU A 33 -12.120 1.638 1.347 1.00 0.00 N ATOM 166 CA LEU A 33 -11.004 0.729 1.140 1.00 0.00 C ATOM 167 C LEU A 33 -9.856 1.497 0.505 1.00 0.00 C ATOM 168 O LEU A 33 -8.706 1.387 0.925 1.00 0.00 O ATOM 169 CB LEU A 33 -11.417 -0.442 0.243 1.00 0.00 C ATOM 170 CG LEU A 33 -12.852 -0.935 0.434 1.00 0.00 C ATOM 171 CD1 LEU A 33 -13.269 -1.815 -0.731 1.00 0.00 C ATOM 172 CD2 LEU A 33 -12.990 -1.682 1.751 1.00 0.00 C ATOM 0 H LEU A 33 -12.910 1.487 0.720 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.690 0.321 2.101 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.288 -0.145 -0.798 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -10.737 -1.274 0.424 1.00 0.00 H new ATOM 0 HG LEU A 33 -13.514 -0.070 0.464 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -14.293 -2.158 -0.580 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -13.211 -1.244 -1.658 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -12.604 -2.676 -0.793 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -14.018 -2.025 1.869 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -12.318 -2.541 1.754 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -12.733 -1.017 2.575 1.00 0.00 H new ATOM 184 N ILE A 34 -10.195 2.301 -0.495 1.00 0.00 N ATOM 185 CA ILE A 34 -9.216 3.126 -1.181 1.00 0.00 C ATOM 186 C ILE A 34 -8.612 4.126 -0.204 1.00 0.00 C ATOM 187 O ILE A 34 -7.398 4.318 -0.164 1.00 0.00 O ATOM 188 CB ILE A 34 -9.866 3.878 -2.363 1.00 0.00 C ATOM 189 CG1 ILE A 34 -10.175 2.904 -3.498 1.00 0.00 C ATOM 190 CG2 ILE A 34 -8.976 5.010 -2.859 1.00 0.00 C ATOM 191 CD1 ILE A 34 -10.948 3.528 -4.636 1.00 0.00 C ATOM 0 H ILE A 34 -11.147 2.397 -0.849 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.431 2.479 -1.573 1.00 0.00 H new ATOM 0 HB ILE A 34 -10.798 4.321 -2.011 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.239 2.500 -3.884 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.745 2.064 -3.100 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.463 5.518 -3.691 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -8.805 5.720 -2.050 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.021 4.603 -3.192 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -11.132 2.778 -5.405 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -11.900 3.907 -4.264 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -10.371 4.350 -5.060 1.00 0.00 H new ATOM 203 N GLU A 35 -9.474 4.757 0.589 1.00 0.00 N ATOM 204 CA GLU A 35 -9.032 5.733 1.574 1.00 0.00 C ATOM 205 C GLU A 35 -7.968 5.124 2.477 1.00 0.00 C ATOM 206 O GLU A 35 -7.040 5.807 2.911 1.00 0.00 O ATOM 207 CB GLU A 35 -10.215 6.221 2.413 1.00 0.00 C ATOM 208 CG GLU A 35 -10.942 7.410 1.806 1.00 0.00 C ATOM 209 CD GLU A 35 -10.438 8.737 2.341 1.00 0.00 C ATOM 210 OE1 GLU A 35 -10.979 9.208 3.364 1.00 0.00 O ATOM 211 OE2 GLU A 35 -9.503 9.304 1.738 1.00 0.00 O ATOM 0 H GLU A 35 -10.483 4.608 0.567 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.603 6.585 1.047 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.921 5.401 2.542 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.858 6.493 3.406 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -10.822 7.390 0.723 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -12.009 7.322 2.010 1.00 0.00 H new ATOM 218 N THR A 36 -8.094 3.825 2.734 1.00 0.00 N ATOM 219 CA THR A 36 -7.127 3.123 3.560 1.00 0.00 C ATOM 220 C THR A 36 -5.889 2.831 2.727 1.00 0.00 C ATOM 221 O THR A 36 -4.762 3.001 3.185 1.00 0.00 O ATOM 222 CB THR A 36 -7.738 1.832 4.132 1.00 0.00 C ATOM 223 OG1 THR A 36 -7.473 1.731 5.521 1.00 0.00 O ATOM 224 CG2 THR A 36 -7.232 0.561 3.479 1.00 0.00 C ATOM 0 H THR A 36 -8.854 3.243 2.382 1.00 0.00 H new ATOM 0 HA THR A 36 -6.844 3.747 4.408 1.00 0.00 H new ATOM 0 HB THR A 36 -8.805 1.914 3.926 1.00 0.00 H new ATOM 0 HG1 THR A 36 -7.869 0.906 5.870 1.00 0.00 H new ATOM 0 HG21 THR A 36 -7.713 -0.302 3.941 1.00 0.00 H new ATOM 0 HG22 THR A 36 -7.466 0.581 2.415 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.152 0.489 3.611 1.00 0.00 H new ATOM 232 N PHE A 37 -6.115 2.419 1.482 1.00 0.00 N ATOM 233 CA PHE A 37 -5.024 2.134 0.565 1.00 0.00 C ATOM 234 C PHE A 37 -4.177 3.383 0.385 1.00 0.00 C ATOM 235 O PHE A 37 -2.950 3.322 0.381 1.00 0.00 O ATOM 236 CB PHE A 37 -5.570 1.671 -0.786 1.00 0.00 C ATOM 237 CG PHE A 37 -4.589 0.882 -1.613 1.00 0.00 C ATOM 238 CD1 PHE A 37 -3.514 0.214 -1.032 1.00 0.00 C ATOM 239 CD2 PHE A 37 -4.743 0.817 -2.987 1.00 0.00 C ATOM 240 CE1 PHE A 37 -2.620 -0.495 -1.812 1.00 0.00 C ATOM 241 CE2 PHE A 37 -3.853 0.108 -3.767 1.00 0.00 C ATOM 242 CZ PHE A 37 -2.790 -0.548 -3.179 1.00 0.00 C ATOM 0 H PHE A 37 -7.045 2.276 1.089 1.00 0.00 H new ATOM 0 HA PHE A 37 -4.409 1.335 0.980 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.458 1.061 -0.616 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -5.887 2.545 -1.355 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -3.378 0.250 0.039 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.571 1.328 -3.455 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.789 -1.007 -1.351 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.988 0.066 -4.838 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.092 -1.102 -3.789 1.00 0.00 H new ATOM 252 N ALA A 38 -4.851 4.522 0.259 1.00 0.00 N ATOM 253 CA ALA A 38 -4.173 5.800 0.107 1.00 0.00 C ATOM 254 C ALA A 38 -3.267 6.046 1.305 1.00 0.00 C ATOM 255 O ALA A 38 -2.156 6.559 1.167 1.00 0.00 O ATOM 256 CB ALA A 38 -5.189 6.923 -0.040 1.00 0.00 C ATOM 0 H ALA A 38 -5.869 4.583 0.259 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.562 5.776 -0.795 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.667 7.873 -0.153 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.807 6.742 -0.919 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.822 6.960 0.847 1.00 0.00 H new ATOM 262 N GLU A 39 -3.745 5.648 2.482 1.00 0.00 N ATOM 263 CA GLU A 39 -2.976 5.792 3.708 1.00 0.00 C ATOM 264 C GLU A 39 -1.869 4.743 3.729 1.00 0.00 C ATOM 265 O GLU A 39 -0.715 5.044 4.034 1.00 0.00 O ATOM 266 CB GLU A 39 -3.899 5.655 4.931 1.00 0.00 C ATOM 267 CG GLU A 39 -3.331 4.814 6.068 1.00 0.00 C ATOM 268 CD GLU A 39 -3.973 5.131 7.405 1.00 0.00 C ATOM 269 OE1 GLU A 39 -5.194 4.909 7.545 1.00 0.00 O ATOM 270 OE2 GLU A 39 -3.254 5.599 8.312 1.00 0.00 O ATOM 0 H GLU A 39 -4.663 5.223 2.609 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.521 6.782 3.747 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -4.125 6.651 5.312 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.843 5.215 4.609 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.476 3.758 5.841 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.256 4.981 6.137 1.00 0.00 H new ATOM 277 N GLN A 40 -2.233 3.513 3.377 1.00 0.00 N ATOM 278 CA GLN A 40 -1.281 2.417 3.326 1.00 0.00 C ATOM 279 C GLN A 40 -0.193 2.725 2.305 1.00 0.00 C ATOM 280 O GLN A 40 0.972 2.376 2.495 1.00 0.00 O ATOM 281 CB GLN A 40 -1.990 1.112 2.958 1.00 0.00 C ATOM 282 CG GLN A 40 -3.133 0.753 3.894 1.00 0.00 C ATOM 283 CD GLN A 40 -2.687 -0.120 5.048 1.00 0.00 C ATOM 284 OE1 GLN A 40 -1.494 -0.349 5.247 1.00 0.00 O ATOM 285 NE2 GLN A 40 -3.649 -0.613 5.817 1.00 0.00 N ATOM 0 H GLN A 40 -3.186 3.254 3.122 1.00 0.00 H new ATOM 0 HA GLN A 40 -0.826 2.300 4.310 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -2.376 1.192 1.942 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -1.262 0.300 2.959 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -3.578 1.668 4.286 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -3.910 0.236 3.331 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -4.625 -0.397 5.614 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -3.413 -1.208 6.611 1.00 0.00 H new ATOM 294 N SER A 41 -0.585 3.401 1.226 1.00 0.00 N ATOM 295 CA SER A 41 0.352 3.780 0.177 1.00 0.00 C ATOM 296 C SER A 41 1.428 4.685 0.755 1.00 0.00 C ATOM 297 O SER A 41 2.620 4.452 0.563 1.00 0.00 O ATOM 298 CB SER A 41 -0.379 4.492 -0.964 1.00 0.00 C ATOM 299 OG SER A 41 -1.376 3.659 -1.530 1.00 0.00 O ATOM 0 H SER A 41 -1.547 3.696 1.058 1.00 0.00 H new ATOM 0 HA SER A 41 0.817 2.879 -0.223 1.00 0.00 H new ATOM 0 HB2 SER A 41 -0.836 5.409 -0.591 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.337 4.782 -1.733 1.00 0.00 H new ATOM 0 HG SER A 41 -2.081 3.497 -0.869 1.00 0.00 H new ATOM 305 N ARG A 42 0.997 5.701 1.496 1.00 0.00 N ATOM 306 CA ARG A 42 1.931 6.616 2.135 1.00 0.00 C ATOM 307 C ARG A 42 2.707 5.858 3.196 1.00 0.00 C ATOM 308 O ARG A 42 3.886 6.113 3.431 1.00 0.00 O ATOM 309 CB ARG A 42 1.203 7.801 2.779 1.00 0.00 C ATOM 310 CG ARG A 42 -0.042 8.253 2.030 1.00 0.00 C ATOM 311 CD ARG A 42 0.066 9.702 1.577 1.00 0.00 C ATOM 312 NE ARG A 42 -1.041 10.517 2.073 1.00 0.00 N ATOM 313 CZ ARG A 42 -1.100 11.841 1.947 1.00 0.00 C ATOM 314 NH1 ARG A 42 -0.118 12.503 1.345 1.00 0.00 N ATOM 315 NH2 ARG A 42 -2.142 12.506 2.425 1.00 0.00 N ATOM 0 H ARG A 42 0.013 5.909 1.667 1.00 0.00 H new ATOM 0 HA ARG A 42 2.606 7.012 1.376 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.922 7.530 3.797 1.00 0.00 H new ATOM 0 HB3 ARG A 42 1.894 8.641 2.852 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.197 7.612 1.163 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -0.915 8.137 2.672 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.009 10.121 1.927 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.084 9.740 0.488 1.00 0.00 H new ATOM 0 HE ARG A 42 -1.813 10.044 2.543 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.687 11.997 0.976 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -0.169 13.517 1.252 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -2.898 12.003 2.889 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -2.187 13.520 2.329 1.00 0.00 H new ATOM 329 N VAL A 43 2.028 4.906 3.825 1.00 0.00 N ATOM 330 CA VAL A 43 2.640 4.085 4.850 1.00 0.00 C ATOM 331 C VAL A 43 3.786 3.278 4.260 1.00 0.00 C ATOM 332 O VAL A 43 4.903 3.313 4.766 1.00 0.00 O ATOM 333 CB VAL A 43 1.604 3.144 5.497 1.00 0.00 C ATOM 334 CG1 VAL A 43 2.257 1.882 6.038 1.00 0.00 C ATOM 335 CG2 VAL A 43 0.863 3.873 6.600 1.00 0.00 C ATOM 0 H VAL A 43 1.049 4.687 3.638 1.00 0.00 H new ATOM 0 HA VAL A 43 3.031 4.744 5.625 1.00 0.00 H new ATOM 0 HB VAL A 43 0.894 2.841 4.727 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.497 1.243 6.487 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.746 1.348 5.224 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.997 2.150 6.792 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.133 3.202 7.053 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.573 4.202 7.359 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.350 4.739 6.183 1.00 0.00 H new ATOM 345 N LEU A 44 3.516 2.563 3.173 1.00 0.00 N ATOM 346 CA LEU A 44 4.555 1.778 2.528 1.00 0.00 C ATOM 347 C LEU A 44 5.758 2.672 2.264 1.00 0.00 C ATOM 348 O LEU A 44 6.879 2.332 2.618 1.00 0.00 O ATOM 349 CB LEU A 44 4.042 1.152 1.220 1.00 0.00 C ATOM 350 CG LEU A 44 4.322 -0.352 1.024 1.00 0.00 C ATOM 351 CD1 LEU A 44 5.611 -0.568 0.243 1.00 0.00 C ATOM 352 CD2 LEU A 44 4.382 -1.091 2.354 1.00 0.00 C ATOM 0 H LEU A 44 2.600 2.512 2.728 1.00 0.00 H new ATOM 0 HA LEU A 44 4.848 0.960 3.186 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.965 1.309 1.166 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.486 1.694 0.385 1.00 0.00 H new ATOM 0 HG LEU A 44 3.492 -0.762 0.449 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.786 -1.637 0.118 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.526 -0.097 -0.736 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.445 -0.125 0.787 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.581 -2.148 2.175 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.179 -0.671 2.968 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.429 -0.984 2.873 1.00 0.00 H new ATOM 364 N GLU A 45 5.510 3.840 1.678 1.00 0.00 N ATOM 365 CA GLU A 45 6.583 4.786 1.409 1.00 0.00 C ATOM 366 C GLU A 45 7.181 5.285 2.724 1.00 0.00 C ATOM 367 O GLU A 45 8.367 5.608 2.795 1.00 0.00 O ATOM 368 CB GLU A 45 6.074 5.953 0.543 1.00 0.00 C ATOM 369 CG GLU A 45 5.773 7.236 1.306 1.00 0.00 C ATOM 370 CD GLU A 45 5.432 8.394 0.388 1.00 0.00 C ATOM 371 OE1 GLU A 45 6.006 8.463 -0.719 1.00 0.00 O ATOM 372 OE2 GLU A 45 4.592 9.232 0.777 1.00 0.00 O ATOM 0 H GLU A 45 4.584 4.150 1.384 1.00 0.00 H new ATOM 0 HA GLU A 45 7.369 4.281 0.848 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.819 6.170 -0.223 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.169 5.634 0.026 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.942 7.062 1.989 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.636 7.503 1.916 1.00 0.00 H new ATOM 379 N LYS A 46 6.353 5.330 3.769 1.00 0.00 N ATOM 380 CA LYS A 46 6.808 5.772 5.084 1.00 0.00 C ATOM 381 C LYS A 46 7.736 4.726 5.689 1.00 0.00 C ATOM 382 O LYS A 46 8.849 5.037 6.111 1.00 0.00 O ATOM 383 CB LYS A 46 5.611 6.059 6.008 1.00 0.00 C ATOM 384 CG LYS A 46 5.353 5.005 7.083 1.00 0.00 C ATOM 385 CD LYS A 46 4.185 5.388 7.977 1.00 0.00 C ATOM 386 CE LYS A 46 3.792 4.241 8.895 1.00 0.00 C ATOM 387 NZ LYS A 46 4.605 4.223 10.142 1.00 0.00 N ATOM 0 H LYS A 46 5.368 5.067 3.729 1.00 0.00 H new ATOM 0 HA LYS A 46 7.365 6.702 4.972 1.00 0.00 H new ATOM 0 HB2 LYS A 46 5.771 7.021 6.495 1.00 0.00 H new ATOM 0 HB3 LYS A 46 4.715 6.157 5.395 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.149 4.045 6.610 1.00 0.00 H new ATOM 0 HG3 LYS A 46 6.249 4.877 7.690 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.452 6.260 8.575 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.332 5.673 7.362 1.00 0.00 H new ATOM 0 HE2 LYS A 46 2.736 4.327 9.152 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.916 3.295 8.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 3.999 3.966 10.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.370 3.525 10.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.014 5.165 10.303 1.00 0.00 H new ATOM 401 N GLU A 47 7.283 3.479 5.705 1.00 0.00 N ATOM 402 CA GLU A 47 8.090 2.392 6.229 1.00 0.00 C ATOM 403 C GLU A 47 9.254 2.128 5.288 1.00 0.00 C ATOM 404 O GLU A 47 10.365 1.829 5.721 1.00 0.00 O ATOM 405 CB GLU A 47 7.249 1.125 6.389 1.00 0.00 C ATOM 406 CG GLU A 47 6.317 1.144 7.591 1.00 0.00 C ATOM 407 CD GLU A 47 6.960 1.727 8.836 1.00 0.00 C ATOM 408 OE1 GLU A 47 7.719 0.998 9.509 1.00 0.00 O ATOM 409 OE2 GLU A 47 6.705 2.912 9.136 1.00 0.00 O ATOM 0 H GLU A 47 6.364 3.199 5.362 1.00 0.00 H new ATOM 0 HA GLU A 47 8.471 2.676 7.210 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.656 0.979 5.486 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.916 0.267 6.474 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.427 1.723 7.344 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.986 0.127 7.803 1.00 0.00 H new ATOM 416 N CYS A 48 8.984 2.259 3.993 1.00 0.00 N ATOM 417 CA CYS A 48 10.000 2.053 2.973 1.00 0.00 C ATOM 418 C CYS A 48 11.103 3.093 3.107 1.00 0.00 C ATOM 419 O CYS A 48 12.282 2.782 2.935 1.00 0.00 O ATOM 420 CB CYS A 48 9.378 2.117 1.577 1.00 0.00 C ATOM 421 SG CYS A 48 8.375 0.674 1.150 1.00 0.00 S ATOM 0 H CYS A 48 8.065 2.508 3.627 1.00 0.00 H new ATOM 0 HA CYS A 48 10.434 1.063 3.114 1.00 0.00 H new ATOM 0 HB2 CYS A 48 8.758 3.011 1.508 1.00 0.00 H new ATOM 0 HB3 CYS A 48 10.174 2.224 0.840 1.00 0.00 H new ATOM 0 HG CYS A 48 9.004 -0.410 1.497 1.00 0.00 H new ATOM 427 N THR A 49 10.724 4.329 3.435 1.00 0.00 N ATOM 428 CA THR A 49 11.711 5.386 3.607 1.00 0.00 C ATOM 429 C THR A 49 12.604 5.061 4.800 1.00 0.00 C ATOM 430 O THR A 49 13.773 5.444 4.842 1.00 0.00 O ATOM 431 CB THR A 49 11.034 6.754 3.778 1.00 0.00 C ATOM 432 OG1 THR A 49 11.964 7.800 3.561 1.00 0.00 O ATOM 433 CG2 THR A 49 10.413 6.977 5.142 1.00 0.00 C ATOM 0 H THR A 49 9.757 4.616 3.584 1.00 0.00 H new ATOM 0 HA THR A 49 12.328 5.442 2.710 1.00 0.00 H new ATOM 0 HB THR A 49 10.234 6.760 3.038 1.00 0.00 H new ATOM 0 HG1 THR A 49 11.516 8.664 3.672 1.00 0.00 H new ATOM 0 HG21 THR A 49 9.957 7.967 5.177 1.00 0.00 H new ATOM 0 HG22 THR A 49 9.650 6.220 5.323 1.00 0.00 H new ATOM 0 HG23 THR A 49 11.184 6.905 5.909 1.00 0.00 H new ATOM 441 N LYS A 50 12.039 4.331 5.761 1.00 0.00 N ATOM 442 CA LYS A 50 12.771 3.924 6.949 1.00 0.00 C ATOM 443 C LYS A 50 13.731 2.784 6.620 1.00 0.00 C ATOM 444 O LYS A 50 14.773 2.632 7.257 1.00 0.00 O ATOM 445 CB LYS A 50 11.794 3.493 8.045 1.00 0.00 C ATOM 446 CG LYS A 50 11.019 4.651 8.649 1.00 0.00 C ATOM 447 CD LYS A 50 9.606 4.245 9.027 1.00 0.00 C ATOM 448 CE LYS A 50 8.920 5.322 9.848 1.00 0.00 C ATOM 449 NZ LYS A 50 8.954 5.020 11.306 1.00 0.00 N ATOM 0 H LYS A 50 11.071 4.010 5.735 1.00 0.00 H new ATOM 0 HA LYS A 50 13.353 4.773 7.308 1.00 0.00 H new ATOM 0 HB2 LYS A 50 11.090 2.771 7.631 1.00 0.00 H new ATOM 0 HB3 LYS A 50 12.346 2.984 8.835 1.00 0.00 H new ATOM 0 HG2 LYS A 50 11.541 5.017 9.533 1.00 0.00 H new ATOM 0 HG3 LYS A 50 10.983 5.475 7.937 1.00 0.00 H new ATOM 0 HD2 LYS A 50 9.028 4.051 8.124 1.00 0.00 H new ATOM 0 HD3 LYS A 50 9.633 3.315 9.594 1.00 0.00 H new ATOM 0 HE2 LYS A 50 9.405 6.281 9.665 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.884 5.421 9.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.475 5.780 11.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.469 4.118 11.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.942 4.951 11.623 1.00 0.00 H new ATOM 463 N ILE A 51 13.374 1.986 5.613 1.00 0.00 N ATOM 464 CA ILE A 51 14.206 0.865 5.193 1.00 0.00 C ATOM 465 C ILE A 51 15.600 1.342 4.805 1.00 0.00 C ATOM 466 O ILE A 51 15.758 2.364 4.136 1.00 0.00 O ATOM 467 CB ILE A 51 13.573 0.105 4.006 1.00 0.00 C ATOM 468 CG1 ILE A 51 12.202 -0.444 4.411 1.00 0.00 C ATOM 469 CG2 ILE A 51 14.491 -1.020 3.525 1.00 0.00 C ATOM 470 CD1 ILE A 51 12.276 -1.607 5.373 1.00 0.00 C ATOM 0 H ILE A 51 12.514 2.097 5.075 1.00 0.00 H new ATOM 0 HA ILE A 51 14.282 0.184 6.041 1.00 0.00 H new ATOM 0 HB ILE A 51 13.441 0.800 3.177 1.00 0.00 H new ATOM 0 HG12 ILE A 51 11.619 0.357 4.866 1.00 0.00 H new ATOM 0 HG13 ILE A 51 11.667 -0.758 3.515 1.00 0.00 H new ATOM 0 HG21 ILE A 51 14.023 -1.540 2.689 1.00 0.00 H new ATOM 0 HG22 ILE A 51 15.444 -0.600 3.203 1.00 0.00 H new ATOM 0 HG23 ILE A 51 14.662 -1.724 4.340 1.00 0.00 H new ATOM 0 HD11 ILE A 51 11.268 -1.943 5.615 1.00 0.00 H new ATOM 0 HD12 ILE A 51 12.831 -2.425 4.913 1.00 0.00 H new ATOM 0 HD13 ILE A 51 12.783 -1.293 6.285 1.00 0.00 H new ATOM 606 N LEU A 60 10.192 -4.012 11.328 1.00 0.00 N ATOM 607 CA LEU A 60 9.704 -3.108 10.299 1.00 0.00 C ATOM 608 C LEU A 60 9.479 -3.881 9.003 1.00 0.00 C ATOM 609 O LEU A 60 8.367 -3.918 8.477 1.00 0.00 O ATOM 610 CB LEU A 60 10.701 -1.953 10.097 1.00 0.00 C ATOM 611 CG LEU A 60 10.872 -1.445 8.660 1.00 0.00 C ATOM 612 CD1 LEU A 60 9.520 -1.174 8.016 1.00 0.00 C ATOM 613 CD2 LEU A 60 11.730 -0.189 8.644 1.00 0.00 C ATOM 0 HA LEU A 60 8.752 -2.678 10.610 1.00 0.00 H new ATOM 0 HB2 LEU A 60 10.386 -1.116 10.720 1.00 0.00 H new ATOM 0 HB3 LEU A 60 11.676 -2.274 10.464 1.00 0.00 H new ATOM 0 HG LEU A 60 11.374 -2.220 8.080 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.668 -0.815 6.998 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.936 -2.094 7.995 1.00 0.00 H new ATOM 0 HD13 LEU A 60 8.987 -0.419 8.593 1.00 0.00 H new ATOM 0 HD21 LEU A 60 11.843 0.161 7.618 1.00 0.00 H new ATOM 0 HD22 LEU A 60 11.251 0.587 9.241 1.00 0.00 H new ATOM 0 HD23 LEU A 60 12.712 -0.414 9.061 1.00 0.00 H new ATOM 625 N ARG A 61 10.539 -4.507 8.499 1.00 0.00 N ATOM 626 CA ARG A 61 10.438 -5.290 7.268 1.00 0.00 C ATOM 627 C ARG A 61 9.376 -6.372 7.422 1.00 0.00 C ATOM 628 O ARG A 61 8.619 -6.649 6.491 1.00 0.00 O ATOM 629 CB ARG A 61 11.781 -5.929 6.865 1.00 0.00 C ATOM 630 CG ARG A 61 12.919 -5.719 7.853 1.00 0.00 C ATOM 631 CD ARG A 61 13.521 -4.328 7.724 1.00 0.00 C ATOM 632 NE ARG A 61 14.236 -4.155 6.461 1.00 0.00 N ATOM 633 CZ ARG A 61 15.143 -3.206 6.244 1.00 0.00 C ATOM 634 NH1 ARG A 61 15.406 -2.305 7.179 1.00 0.00 N ATOM 635 NH2 ARG A 61 15.778 -3.149 5.083 1.00 0.00 N ATOM 0 H ARG A 61 11.469 -4.489 8.918 1.00 0.00 H new ATOM 0 HA ARG A 61 10.153 -4.602 6.472 1.00 0.00 H new ATOM 0 HB2 ARG A 61 11.630 -7.000 6.731 1.00 0.00 H new ATOM 0 HB3 ARG A 61 12.081 -5.526 5.898 1.00 0.00 H new ATOM 0 HG2 ARG A 61 12.552 -5.865 8.869 1.00 0.00 H new ATOM 0 HG3 ARG A 61 13.692 -6.468 7.683 1.00 0.00 H new ATOM 0 HD2 ARG A 61 12.729 -3.582 7.797 1.00 0.00 H new ATOM 0 HD3 ARG A 61 14.204 -4.150 8.555 1.00 0.00 H new ATOM 0 HE ARG A 61 14.027 -4.801 5.700 1.00 0.00 H new ATOM 0 HH11 ARG A 61 14.912 -2.337 8.071 1.00 0.00 H new ATOM 0 HH12 ARG A 61 16.102 -1.580 7.007 1.00 0.00 H new ATOM 0 HH21 ARG A 61 15.572 -3.833 4.355 1.00 0.00 H new ATOM 0 HH22 ARG A 61 16.473 -2.421 4.917 1.00 0.00 H new ATOM 649 N TYR A 62 9.308 -6.968 8.612 1.00 0.00 N ATOM 650 CA TYR A 62 8.316 -7.999 8.881 1.00 0.00 C ATOM 651 C TYR A 62 6.930 -7.380 8.878 1.00 0.00 C ATOM 652 O TYR A 62 6.037 -7.834 8.170 1.00 0.00 O ATOM 653 CB TYR A 62 8.593 -8.679 10.224 1.00 0.00 C ATOM 654 CG TYR A 62 9.199 -10.057 10.091 1.00 0.00 C ATOM 655 CD1 TYR A 62 8.394 -11.177 9.931 1.00 0.00 C ATOM 656 CD2 TYR A 62 10.576 -10.238 10.123 1.00 0.00 C ATOM 657 CE1 TYR A 62 8.943 -12.439 9.808 1.00 0.00 C ATOM 658 CE2 TYR A 62 11.133 -11.497 10.001 1.00 0.00 C ATOM 659 CZ TYR A 62 10.312 -12.594 9.844 1.00 0.00 C ATOM 660 OH TYR A 62 10.863 -13.849 9.721 1.00 0.00 O ATOM 0 H TYR A 62 9.924 -6.755 9.397 1.00 0.00 H new ATOM 0 HA TYR A 62 8.373 -8.758 8.101 1.00 0.00 H new ATOM 0 HB2 TYR A 62 9.265 -8.050 10.808 1.00 0.00 H new ATOM 0 HB3 TYR A 62 7.660 -8.754 10.783 1.00 0.00 H new ATOM 0 HD1 TYR A 62 7.321 -11.060 9.902 1.00 0.00 H new ATOM 0 HD2 TYR A 62 11.222 -9.381 10.245 1.00 0.00 H new ATOM 0 HE1 TYR A 62 8.302 -13.300 9.684 1.00 0.00 H new ATOM 0 HE2 TYR A 62 12.205 -11.621 10.028 1.00 0.00 H new ATOM 0 HH TYR A 62 11.840 -13.783 9.766 1.00 0.00 H new ATOM 670 N LYS A 63 6.766 -6.319 9.656 1.00 0.00 N ATOM 671 CA LYS A 63 5.496 -5.613 9.725 1.00 0.00 C ATOM 672 C LYS A 63 5.079 -5.163 8.327 1.00 0.00 C ATOM 673 O LYS A 63 3.898 -5.171 7.981 1.00 0.00 O ATOM 674 CB LYS A 63 5.626 -4.408 10.664 1.00 0.00 C ATOM 675 CG LYS A 63 4.462 -3.432 10.600 1.00 0.00 C ATOM 676 CD LYS A 63 4.917 -2.008 10.872 1.00 0.00 C ATOM 677 CE LYS A 63 5.077 -1.217 9.583 1.00 0.00 C ATOM 678 NZ LYS A 63 3.985 -0.220 9.407 1.00 0.00 N ATOM 0 H LYS A 63 7.498 -5.928 10.249 1.00 0.00 H new ATOM 0 HA LYS A 63 4.729 -6.280 10.118 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.725 -4.770 11.687 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.545 -3.874 10.424 1.00 0.00 H new ATOM 0 HG2 LYS A 63 3.995 -3.485 9.617 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.704 -3.719 11.329 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.193 -1.511 11.517 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.865 -2.024 11.410 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.039 -0.705 9.588 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.084 -1.902 8.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.138 0.311 8.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.070 -0.712 9.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.983 0.439 10.212 1.00 0.00 H new ATOM 692 N ILE A 64 6.065 -4.771 7.531 1.00 0.00 N ATOM 693 CA ILE A 64 5.826 -4.315 6.176 1.00 0.00 C ATOM 694 C ILE A 64 5.295 -5.443 5.284 1.00 0.00 C ATOM 695 O ILE A 64 4.249 -5.303 4.650 1.00 0.00 O ATOM 696 CB ILE A 64 7.126 -3.720 5.578 1.00 0.00 C ATOM 697 CG1 ILE A 64 7.014 -2.198 5.499 1.00 0.00 C ATOM 698 CG2 ILE A 64 7.449 -4.310 4.210 1.00 0.00 C ATOM 699 CD1 ILE A 64 8.110 -1.541 4.690 1.00 0.00 C ATOM 0 H ILE A 64 7.047 -4.762 7.808 1.00 0.00 H new ATOM 0 HA ILE A 64 5.061 -3.539 6.214 1.00 0.00 H new ATOM 0 HB ILE A 64 7.950 -3.985 6.241 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.049 -1.937 5.064 1.00 0.00 H new ATOM 0 HG13 ILE A 64 7.028 -1.790 6.510 1.00 0.00 H new ATOM 0 HG21 ILE A 64 8.368 -3.864 3.829 1.00 0.00 H new ATOM 0 HG22 ILE A 64 7.579 -5.388 4.300 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.631 -4.100 3.521 1.00 0.00 H new ATOM 0 HD11 ILE A 64 7.959 -0.462 4.682 1.00 0.00 H new ATOM 0 HD12 ILE A 64 9.078 -1.769 5.136 1.00 0.00 H new ATOM 0 HD13 ILE A 64 8.084 -1.918 3.668 1.00 0.00 H new ATOM 711 N GLU A 65 6.034 -6.547 5.221 1.00 0.00 N ATOM 712 CA GLU A 65 5.651 -7.680 4.381 1.00 0.00 C ATOM 713 C GLU A 65 4.581 -8.556 5.029 1.00 0.00 C ATOM 714 O GLU A 65 3.842 -9.252 4.335 1.00 0.00 O ATOM 715 CB GLU A 65 6.881 -8.529 4.054 1.00 0.00 C ATOM 716 CG GLU A 65 7.821 -7.880 3.051 1.00 0.00 C ATOM 717 CD GLU A 65 7.742 -8.518 1.678 1.00 0.00 C ATOM 718 OE1 GLU A 65 6.666 -8.441 1.049 1.00 0.00 O ATOM 719 OE2 GLU A 65 8.756 -9.095 1.232 1.00 0.00 O ATOM 0 H GLU A 65 6.901 -6.682 5.741 1.00 0.00 H new ATOM 0 HA GLU A 65 5.225 -7.268 3.466 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.429 -8.730 4.975 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.553 -9.492 3.662 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.582 -6.820 2.969 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.844 -7.949 3.421 1.00 0.00 H new ATOM 726 N THR A 66 4.516 -8.547 6.355 1.00 0.00 N ATOM 727 CA THR A 66 3.553 -9.365 7.070 1.00 0.00 C ATOM 728 C THR A 66 2.325 -8.569 7.516 1.00 0.00 C ATOM 729 O THR A 66 1.346 -9.153 7.982 1.00 0.00 O ATOM 730 CB THR A 66 4.223 -9.997 8.285 1.00 0.00 C ATOM 731 OG1 THR A 66 4.315 -9.070 9.351 1.00 0.00 O ATOM 732 CG2 THR A 66 5.617 -10.520 8.003 1.00 0.00 C ATOM 0 H THR A 66 5.119 -7.982 6.953 1.00 0.00 H new ATOM 0 HA THR A 66 3.207 -10.137 6.383 1.00 0.00 H new ATOM 0 HB THR A 66 3.587 -10.841 8.553 1.00 0.00 H new ATOM 0 HG1 THR A 66 4.626 -8.206 9.008 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.033 -10.956 8.911 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.569 -11.281 7.224 1.00 0.00 H new ATOM 0 HG23 THR A 66 6.253 -9.700 7.670 1.00 0.00 H new ATOM 740 N GLU A 67 2.368 -7.243 7.389 1.00 0.00 N ATOM 741 CA GLU A 67 1.235 -6.419 7.806 1.00 0.00 C ATOM 742 C GLU A 67 0.883 -5.345 6.771 1.00 0.00 C ATOM 743 O GLU A 67 -0.284 -5.188 6.412 1.00 0.00 O ATOM 744 CB GLU A 67 1.520 -5.789 9.181 1.00 0.00 C ATOM 745 CG GLU A 67 1.317 -4.280 9.247 1.00 0.00 C ATOM 746 CD GLU A 67 1.329 -3.751 10.669 1.00 0.00 C ATOM 747 OE1 GLU A 67 1.657 -4.528 11.590 1.00 0.00 O ATOM 748 OE2 GLU A 67 1.009 -2.559 10.860 1.00 0.00 O ATOM 0 H GLU A 67 3.159 -6.724 7.008 1.00 0.00 H new ATOM 0 HA GLU A 67 0.364 -7.070 7.886 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.875 -6.261 9.922 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.548 -6.016 9.463 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.101 -3.786 8.673 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.368 -4.024 8.776 1.00 0.00 H new ATOM 755 N LEU A 68 1.878 -4.594 6.307 1.00 0.00 N ATOM 756 CA LEU A 68 1.627 -3.534 5.334 1.00 0.00 C ATOM 757 C LEU A 68 1.251 -4.104 3.967 1.00 0.00 C ATOM 758 O LEU A 68 0.070 -4.292 3.678 1.00 0.00 O ATOM 759 CB LEU A 68 2.839 -2.606 5.212 1.00 0.00 C ATOM 760 CG LEU A 68 3.106 -1.723 6.435 1.00 0.00 C ATOM 761 CD1 LEU A 68 4.212 -0.722 6.139 1.00 0.00 C ATOM 762 CD2 LEU A 68 1.834 -1.005 6.863 1.00 0.00 C ATOM 0 H LEU A 68 2.854 -4.697 6.584 1.00 0.00 H new ATOM 0 HA LEU A 68 0.780 -2.952 5.698 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.724 -3.213 5.021 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.699 -1.963 4.343 1.00 0.00 H new ATOM 0 HG LEU A 68 3.432 -2.361 7.256 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.388 -0.103 7.019 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.127 -1.256 5.882 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.915 -0.088 5.303 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.043 -0.382 7.733 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.477 -0.378 6.046 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.070 -1.739 7.117 1.00 0.00 H new ATOM 774 N ILE A 69 2.255 -4.368 3.126 1.00 0.00 N ATOM 775 CA ILE A 69 2.025 -4.908 1.783 1.00 0.00 C ATOM 776 C ILE A 69 0.849 -5.892 1.755 1.00 0.00 C ATOM 777 O ILE A 69 -0.092 -5.713 0.981 1.00 0.00 O ATOM 778 CB ILE A 69 3.304 -5.588 1.232 1.00 0.00 C ATOM 779 CG1 ILE A 69 4.231 -4.535 0.621 1.00 0.00 C ATOM 780 CG2 ILE A 69 2.969 -6.657 0.196 1.00 0.00 C ATOM 781 CD1 ILE A 69 5.680 -4.698 1.017 1.00 0.00 C ATOM 0 H ILE A 69 3.238 -4.216 3.353 1.00 0.00 H new ATOM 0 HA ILE A 69 1.770 -4.065 1.141 1.00 0.00 H new ATOM 0 HB ILE A 69 3.809 -6.079 2.064 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.153 -4.581 -0.465 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.890 -3.545 0.923 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.890 -7.112 -0.168 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.342 -7.423 0.653 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.435 -6.201 -0.638 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.276 -3.916 0.546 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.772 -4.621 2.100 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.039 -5.674 0.691 1.00 0.00 H new ATOM 793 N PRO A 70 0.880 -6.941 2.595 1.00 0.00 N ATOM 794 CA PRO A 70 -0.195 -7.933 2.647 1.00 0.00 C ATOM 795 C PRO A 70 -1.567 -7.284 2.785 1.00 0.00 C ATOM 796 O PRO A 70 -2.545 -7.750 2.204 1.00 0.00 O ATOM 797 CB PRO A 70 0.127 -8.770 3.893 1.00 0.00 C ATOM 798 CG PRO A 70 1.214 -8.035 4.606 1.00 0.00 C ATOM 799 CD PRO A 70 1.944 -7.249 3.557 1.00 0.00 C ATOM 0 HA PRO A 70 -0.241 -8.523 1.732 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -0.752 -8.881 4.528 1.00 0.00 H new ATOM 0 HB3 PRO A 70 0.449 -9.774 3.617 1.00 0.00 H new ATOM 0 HG2 PRO A 70 0.802 -7.376 5.370 1.00 0.00 H new ATOM 0 HG3 PRO A 70 1.886 -8.728 5.112 1.00 0.00 H new ATOM 0 HD2 PRO A 70 2.395 -6.345 3.967 1.00 0.00 H new ATOM 0 HD3 PRO A 70 2.748 -7.828 3.102 1.00 0.00 H new ATOM 807 N ASN A 71 -1.629 -6.205 3.559 1.00 0.00 N ATOM 808 CA ASN A 71 -2.882 -5.492 3.775 1.00 0.00 C ATOM 809 C ASN A 71 -3.138 -4.483 2.660 1.00 0.00 C ATOM 810 O ASN A 71 -4.279 -4.291 2.239 1.00 0.00 O ATOM 811 CB ASN A 71 -2.863 -4.780 5.130 1.00 0.00 C ATOM 812 CG ASN A 71 -2.983 -5.746 6.293 1.00 0.00 C ATOM 813 OD1 ASN A 71 -3.328 -6.914 6.111 1.00 0.00 O ATOM 814 ND2 ASN A 71 -2.700 -5.262 7.496 1.00 0.00 N ATOM 0 H ASN A 71 -0.827 -5.806 4.046 1.00 0.00 H new ATOM 0 HA ASN A 71 -3.690 -6.224 3.768 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -1.937 -4.213 5.226 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -3.682 -4.062 5.172 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.764 -5.865 8.316 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -2.418 -4.287 7.600 1.00 0.00 H new ATOM 821 N CYS A 72 -2.075 -3.843 2.179 1.00 0.00 N ATOM 822 CA CYS A 72 -2.205 -2.863 1.109 1.00 0.00 C ATOM 823 C CYS A 72 -2.750 -3.526 -0.146 1.00 0.00 C ATOM 824 O CYS A 72 -3.779 -3.114 -0.682 1.00 0.00 O ATOM 825 CB CYS A 72 -0.860 -2.195 0.806 1.00 0.00 C ATOM 826 SG CYS A 72 0.107 -1.756 2.269 1.00 0.00 S ATOM 0 H CYS A 72 -1.121 -3.985 2.512 1.00 0.00 H new ATOM 0 HA CYS A 72 -2.902 -2.093 1.440 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -0.268 -2.865 0.183 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -1.040 -1.293 0.221 1.00 0.00 H new ATOM 0 HG CYS A 72 -0.200 -2.554 3.248 1.00 0.00 H new ATOM 832 N THR A 73 -2.065 -4.568 -0.603 1.00 0.00 N ATOM 833 CA THR A 73 -2.499 -5.294 -1.785 1.00 0.00 C ATOM 834 C THR A 73 -3.848 -5.952 -1.519 1.00 0.00 C ATOM 835 O THR A 73 -4.753 -5.890 -2.348 1.00 0.00 O ATOM 836 CB THR A 73 -1.456 -6.340 -2.187 1.00 0.00 C ATOM 837 OG1 THR A 73 -1.591 -6.684 -3.554 1.00 0.00 O ATOM 838 CG2 THR A 73 -1.545 -7.617 -1.383 1.00 0.00 C ATOM 0 H THR A 73 -1.212 -4.926 -0.174 1.00 0.00 H new ATOM 0 HA THR A 73 -2.607 -4.592 -2.612 1.00 0.00 H new ATOM 0 HB THR A 73 -0.491 -5.873 -1.990 1.00 0.00 H new ATOM 0 HG1 THR A 73 -0.915 -7.352 -3.792 1.00 0.00 H new ATOM 0 HG21 THR A 73 -0.777 -8.314 -1.720 1.00 0.00 H new ATOM 0 HG22 THR A 73 -1.393 -7.393 -0.327 1.00 0.00 H new ATOM 0 HG23 THR A 73 -2.528 -8.066 -1.521 1.00 0.00 H new ATOM 846 N SER A 74 -3.992 -6.556 -0.339 1.00 0.00 N ATOM 847 CA SER A 74 -5.253 -7.184 0.033 1.00 0.00 C ATOM 848 C SER A 74 -6.369 -6.154 -0.067 1.00 0.00 C ATOM 849 O SER A 74 -7.513 -6.477 -0.384 1.00 0.00 O ATOM 850 CB SER A 74 -5.182 -7.747 1.454 1.00 0.00 C ATOM 851 OG SER A 74 -4.537 -9.009 1.473 1.00 0.00 O ATOM 0 H SER A 74 -3.258 -6.622 0.366 1.00 0.00 H new ATOM 0 HA SER A 74 -5.453 -8.012 -0.647 1.00 0.00 H new ATOM 0 HB2 SER A 74 -4.644 -7.051 2.097 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.189 -7.844 1.860 1.00 0.00 H new ATOM 0 HG SER A 74 -3.571 -8.881 1.578 1.00 0.00 H new ATOM 857 N VAL A 75 -6.003 -4.900 0.186 1.00 0.00 N ATOM 858 CA VAL A 75 -6.935 -3.791 0.109 1.00 0.00 C ATOM 859 C VAL A 75 -7.321 -3.543 -1.351 1.00 0.00 C ATOM 860 O VAL A 75 -8.425 -3.082 -1.643 1.00 0.00 O ATOM 861 CB VAL A 75 -6.311 -2.526 0.759 1.00 0.00 C ATOM 862 CG1 VAL A 75 -6.357 -1.315 -0.158 1.00 0.00 C ATOM 863 CG2 VAL A 75 -6.987 -2.215 2.087 1.00 0.00 C ATOM 0 H VAL A 75 -5.055 -4.630 0.449 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.842 -4.034 0.662 1.00 0.00 H new ATOM 0 HB VAL A 75 -5.259 -2.750 0.938 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.908 -0.459 0.346 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.803 -1.529 -1.072 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.393 -1.086 -0.407 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -6.535 -1.325 2.526 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -8.050 -2.038 1.922 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.861 -3.058 2.766 1.00 0.00 H new ATOM 873 N ARG A 76 -6.412 -3.888 -2.265 1.00 0.00 N ATOM 874 CA ARG A 76 -6.666 -3.742 -3.693 1.00 0.00 C ATOM 875 C ARG A 76 -7.740 -4.727 -4.119 1.00 0.00 C ATOM 876 O ARG A 76 -8.779 -4.340 -4.647 1.00 0.00 O ATOM 877 CB ARG A 76 -5.394 -4.014 -4.500 1.00 0.00 C ATOM 878 CG ARG A 76 -4.294 -2.988 -4.298 1.00 0.00 C ATOM 879 CD ARG A 76 -3.010 -3.417 -4.990 1.00 0.00 C ATOM 880 NE ARG A 76 -3.223 -3.709 -6.405 1.00 0.00 N ATOM 881 CZ ARG A 76 -2.247 -4.030 -7.252 1.00 0.00 C ATOM 882 NH1 ARG A 76 -0.990 -4.098 -6.832 1.00 0.00 N ATOM 883 NH2 ARG A 76 -2.530 -4.283 -8.522 1.00 0.00 N ATOM 0 H ARG A 76 -5.494 -4.270 -2.038 1.00 0.00 H new ATOM 0 HA ARG A 76 -6.994 -2.720 -3.882 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -5.011 -4.998 -4.231 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -5.650 -4.051 -5.559 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -4.616 -2.023 -4.689 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.109 -2.854 -3.232 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.264 -2.629 -4.891 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.608 -4.301 -4.494 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.176 -3.664 -6.766 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -0.767 -3.904 -5.856 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -0.247 -4.344 -7.485 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.495 -4.232 -8.850 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -1.783 -4.529 -9.172 1.00 0.00 H new ATOM 897 N ASP A 77 -7.481 -6.013 -3.870 1.00 0.00 N ATOM 898 CA ASP A 77 -8.428 -7.068 -4.214 1.00 0.00 C ATOM 899 C ASP A 77 -9.828 -6.692 -3.748 1.00 0.00 C ATOM 900 O ASP A 77 -10.823 -7.029 -4.390 1.00 0.00 O ATOM 901 CB ASP A 77 -8.001 -8.394 -3.580 1.00 0.00 C ATOM 902 CG ASP A 77 -8.074 -9.551 -4.558 1.00 0.00 C ATOM 903 OD1 ASP A 77 -9.193 -10.048 -4.807 1.00 0.00 O ATOM 904 OD2 ASP A 77 -7.013 -9.959 -5.075 1.00 0.00 O ATOM 0 H ASP A 77 -6.622 -6.345 -3.431 1.00 0.00 H new ATOM 0 HA ASP A 77 -8.438 -7.186 -5.298 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.982 -8.303 -3.204 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -8.639 -8.606 -2.722 1.00 0.00 H new ATOM 909 N LYS A 78 -9.891 -5.972 -2.633 1.00 0.00 N ATOM 910 CA LYS A 78 -11.161 -5.525 -2.086 1.00 0.00 C ATOM 911 C LYS A 78 -11.756 -4.451 -2.986 1.00 0.00 C ATOM 912 O LYS A 78 -12.952 -4.459 -3.284 1.00 0.00 O ATOM 913 CB LYS A 78 -10.965 -4.981 -0.667 1.00 0.00 C ATOM 914 CG LYS A 78 -11.030 -6.051 0.411 1.00 0.00 C ATOM 915 CD LYS A 78 -11.737 -5.544 1.658 1.00 0.00 C ATOM 916 CE LYS A 78 -10.789 -4.766 2.556 1.00 0.00 C ATOM 917 NZ LYS A 78 -9.861 -5.666 3.297 1.00 0.00 N ATOM 0 H LYS A 78 -9.075 -5.687 -2.092 1.00 0.00 H new ATOM 0 HA LYS A 78 -11.847 -6.371 -2.039 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.000 -4.478 -0.610 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -11.728 -4.229 -0.467 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -11.553 -6.926 0.025 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -10.020 -6.371 0.669 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -12.573 -4.907 1.370 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -12.154 -6.387 2.210 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -10.211 -4.065 1.953 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -11.366 -4.174 3.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -9.362 -5.123 4.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -10.404 -6.433 3.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -9.169 -6.071 2.635 1.00 0.00 H new ATOM 931 N ILE A 79 -10.901 -3.539 -3.432 1.00 0.00 N ATOM 932 CA ILE A 79 -11.316 -2.464 -4.316 1.00 0.00 C ATOM 933 C ILE A 79 -11.620 -3.015 -5.706 1.00 0.00 C ATOM 934 O ILE A 79 -12.624 -2.659 -6.322 1.00 0.00 O ATOM 935 CB ILE A 79 -10.219 -1.383 -4.408 1.00 0.00 C ATOM 936 CG1 ILE A 79 -10.158 -0.584 -3.107 1.00 0.00 C ATOM 937 CG2 ILE A 79 -10.454 -0.460 -5.594 1.00 0.00 C ATOM 938 CD1 ILE A 79 -8.833 0.109 -2.887 1.00 0.00 C ATOM 0 H ILE A 79 -9.910 -3.525 -3.192 1.00 0.00 H new ATOM 0 HA ILE A 79 -12.219 -2.011 -3.906 1.00 0.00 H new ATOM 0 HB ILE A 79 -9.261 -1.881 -4.560 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -10.953 0.162 -3.110 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -10.352 -1.254 -2.269 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -9.665 0.291 -5.632 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -10.446 -1.042 -6.515 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -11.420 0.034 -5.485 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.861 0.657 -1.945 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.036 -0.633 -2.852 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -8.646 0.804 -3.706 1.00 0.00 H new ATOM 950 N GLU A 80 -10.746 -3.893 -6.187 1.00 0.00 N ATOM 951 CA GLU A 80 -10.919 -4.504 -7.495 1.00 0.00 C ATOM 952 C GLU A 80 -12.137 -5.417 -7.495 1.00 0.00 C ATOM 953 O GLU A 80 -12.823 -5.554 -8.508 1.00 0.00 O ATOM 954 CB GLU A 80 -9.670 -5.297 -7.885 1.00 0.00 C ATOM 955 CG GLU A 80 -8.400 -4.464 -7.888 1.00 0.00 C ATOM 956 CD GLU A 80 -7.189 -5.250 -8.352 1.00 0.00 C ATOM 957 OE1 GLU A 80 -6.805 -6.214 -7.657 1.00 0.00 O ATOM 958 OE2 GLU A 80 -6.625 -4.901 -9.410 1.00 0.00 O ATOM 0 H GLU A 80 -9.910 -4.196 -5.688 1.00 0.00 H new ATOM 0 HA GLU A 80 -11.073 -3.711 -8.227 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.547 -6.130 -7.193 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -9.816 -5.726 -8.876 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -8.538 -3.600 -8.537 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.218 -4.082 -6.883 1.00 0.00 H new ATOM 965 N SER A 81 -12.412 -6.029 -6.345 1.00 0.00 N ATOM 966 CA SER A 81 -13.563 -6.913 -6.215 1.00 0.00 C ATOM 967 C SER A 81 -14.844 -6.122 -6.436 1.00 0.00 C ATOM 968 O SER A 81 -15.819 -6.627 -6.991 1.00 0.00 O ATOM 969 CB SER A 81 -13.580 -7.569 -4.833 1.00 0.00 C ATOM 970 OG SER A 81 -12.794 -8.749 -4.819 1.00 0.00 O ATOM 0 H SER A 81 -11.856 -5.929 -5.496 1.00 0.00 H new ATOM 0 HA SER A 81 -13.492 -7.698 -6.968 1.00 0.00 H new ATOM 0 HB2 SER A 81 -13.202 -6.868 -4.089 1.00 0.00 H new ATOM 0 HB3 SER A 81 -14.606 -7.808 -4.553 1.00 0.00 H new ATOM 0 HG SER A 81 -11.855 -8.515 -4.666 1.00 0.00 H new ATOM 976 N ASN A 82 -14.819 -4.867 -6.002 1.00 0.00 N ATOM 977 CA ASN A 82 -15.959 -3.975 -6.149 1.00 0.00 C ATOM 978 C ASN A 82 -16.046 -3.456 -7.584 1.00 0.00 C ATOM 979 O ASN A 82 -15.260 -2.602 -7.993 1.00 0.00 O ATOM 980 CB ASN A 82 -15.822 -2.810 -5.172 1.00 0.00 C ATOM 981 CG ASN A 82 -17.142 -2.131 -4.881 1.00 0.00 C ATOM 982 OD1 ASN A 82 -18.145 -2.786 -4.595 1.00 0.00 O ATOM 983 ND2 ASN A 82 -17.143 -0.809 -4.955 1.00 0.00 N ATOM 0 H ASN A 82 -14.013 -4.443 -5.542 1.00 0.00 H new ATOM 0 HA ASN A 82 -16.874 -4.524 -5.927 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -15.392 -3.173 -4.239 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -15.125 -2.079 -5.581 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -18.001 -0.289 -4.771 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -16.286 -0.311 -5.196 1.00 0.00 H new ATOM 990 N ILE A 83 -16.995 -3.991 -8.347 1.00 0.00 N ATOM 991 CA ILE A 83 -17.175 -3.600 -9.744 1.00 0.00 C ATOM 992 C ILE A 83 -17.261 -2.085 -9.916 1.00 0.00 C ATOM 993 O ILE A 83 -16.887 -1.553 -10.961 1.00 0.00 O ATOM 994 CB ILE A 83 -18.437 -4.248 -10.349 1.00 0.00 C ATOM 995 CG1 ILE A 83 -18.506 -3.981 -11.854 1.00 0.00 C ATOM 996 CG2 ILE A 83 -19.687 -3.729 -9.656 1.00 0.00 C ATOM 997 CD1 ILE A 83 -17.293 -4.474 -12.612 1.00 0.00 C ATOM 0 H ILE A 83 -17.654 -4.699 -8.021 1.00 0.00 H new ATOM 0 HA ILE A 83 -16.292 -3.958 -10.274 1.00 0.00 H new ATOM 0 HB ILE A 83 -18.381 -5.325 -10.193 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -19.397 -4.460 -12.259 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -18.617 -2.909 -12.020 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -20.568 -4.197 -10.096 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -19.641 -3.969 -8.594 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -19.750 -2.648 -9.781 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -17.411 -4.251 -13.672 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -16.400 -3.976 -12.234 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -17.192 -5.551 -12.477 1.00 0.00 H new ATOM 1009 N LEU A 84 -17.753 -1.392 -8.894 1.00 0.00 N ATOM 1010 CA LEU A 84 -17.879 0.062 -8.954 1.00 0.00 C ATOM 1011 C LEU A 84 -16.563 0.713 -9.379 1.00 0.00 C ATOM 1012 O LEU A 84 -16.552 1.831 -9.893 1.00 0.00 O ATOM 1013 CB LEU A 84 -18.318 0.617 -7.600 1.00 0.00 C ATOM 1014 CG LEU A 84 -19.830 0.653 -7.375 1.00 0.00 C ATOM 1015 CD1 LEU A 84 -20.151 0.541 -5.892 1.00 0.00 C ATOM 1016 CD2 LEU A 84 -20.424 1.927 -7.956 1.00 0.00 C ATOM 0 H LEU A 84 -18.070 -1.810 -8.019 1.00 0.00 H new ATOM 0 HA LEU A 84 -18.637 0.299 -9.700 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -17.863 0.015 -6.813 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -17.926 1.629 -7.495 1.00 0.00 H new ATOM 0 HG LEU A 84 -20.276 -0.199 -7.888 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -21.231 0.568 -5.751 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -19.758 -0.399 -5.505 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -19.694 1.373 -5.357 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -21.501 1.936 -7.787 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -19.973 2.793 -7.471 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -20.224 1.966 -9.027 1.00 0.00 H new ATOM 1028 N ILE A 85 -15.457 0.006 -9.165 1.00 0.00 N ATOM 1029 CA ILE A 85 -14.143 0.518 -9.532 1.00 0.00 C ATOM 1030 C ILE A 85 -13.975 0.555 -11.050 1.00 0.00 C ATOM 1031 O ILE A 85 -13.161 1.314 -11.577 1.00 0.00 O ATOM 1032 CB ILE A 85 -13.018 -0.337 -8.907 1.00 0.00 C ATOM 1033 CG1 ILE A 85 -11.645 0.270 -9.203 1.00 0.00 C ATOM 1034 CG2 ILE A 85 -13.088 -1.768 -9.416 1.00 0.00 C ATOM 1035 CD1 ILE A 85 -11.127 1.160 -8.095 1.00 0.00 C ATOM 0 H ILE A 85 -15.446 -0.921 -8.740 1.00 0.00 H new ATOM 0 HA ILE A 85 -14.070 1.534 -9.143 1.00 0.00 H new ATOM 0 HB ILE A 85 -13.161 -0.347 -7.826 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -10.930 -0.535 -9.376 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -11.703 0.848 -10.125 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -12.288 -2.354 -8.964 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -14.051 -2.202 -9.149 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -12.975 -1.774 -10.500 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -10.150 1.556 -8.373 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -11.821 1.985 -7.937 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -11.036 0.581 -7.176 1.00 0.00 H new ATOM 1047 N HIS A 86 -14.752 -0.266 -11.749 1.00 0.00 N ATOM 1048 CA HIS A 86 -14.687 -0.324 -13.206 1.00 0.00 C ATOM 1049 C HIS A 86 -15.707 0.615 -13.847 1.00 0.00 C ATOM 1050 O HIS A 86 -15.550 1.021 -14.998 1.00 0.00 O ATOM 1051 CB HIS A 86 -14.925 -1.756 -13.689 1.00 0.00 C ATOM 1052 CG HIS A 86 -13.782 -2.682 -13.407 1.00 0.00 C ATOM 1053 ND1 HIS A 86 -12.841 -3.026 -14.355 1.00 0.00 N ATOM 1054 CD2 HIS A 86 -13.429 -3.337 -12.275 1.00 0.00 C ATOM 1055 CE1 HIS A 86 -11.962 -3.854 -13.820 1.00 0.00 C ATOM 1056 NE2 HIS A 86 -12.295 -4.057 -12.559 1.00 0.00 N ATOM 0 H HIS A 86 -15.433 -0.900 -11.331 1.00 0.00 H new ATOM 0 HA HIS A 86 -13.691 -0.001 -13.508 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -15.824 -2.147 -13.212 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -15.114 -1.742 -14.762 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -13.944 -3.300 -11.326 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -11.115 -4.291 -14.328 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -11.791 -4.653 -11.902 1.00 0.00 H new ATOM 1065 N GLN A 87 -16.754 0.953 -13.099 1.00 0.00 N ATOM 1066 CA GLN A 87 -17.799 1.839 -13.603 1.00 0.00 C ATOM 1067 C GLN A 87 -17.435 3.301 -13.377 1.00 0.00 C ATOM 1068 O GLN A 87 -17.525 4.127 -14.285 1.00 0.00 O ATOM 1069 CB GLN A 87 -19.133 1.512 -12.926 1.00 0.00 C ATOM 1070 CG GLN A 87 -19.334 2.161 -11.564 1.00 0.00 C ATOM 1071 CD GLN A 87 -20.657 1.779 -10.930 1.00 0.00 C ATOM 1072 OE1 GLN A 87 -21.480 2.639 -10.616 1.00 0.00 O ATOM 1073 NE2 GLN A 87 -20.867 0.482 -10.739 1.00 0.00 N ATOM 0 H GLN A 87 -16.901 0.627 -12.144 1.00 0.00 H new ATOM 0 HA GLN A 87 -17.895 1.679 -14.677 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -19.944 1.823 -13.584 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -19.211 0.431 -12.813 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -18.519 1.869 -10.902 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -19.285 3.245 -11.670 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -20.156 -0.196 -11.015 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -21.739 0.163 -10.316 1.00 0.00 H new ATOM 1082 N ASN A 88 -17.031 3.605 -12.155 1.00 0.00 N ATOM 1083 CA ASN A 88 -16.656 4.966 -11.786 1.00 0.00 C ATOM 1084 C ASN A 88 -15.245 5.291 -12.265 1.00 0.00 C ATOM 1085 O ASN A 88 -14.261 4.933 -11.619 1.00 0.00 O ATOM 1086 CB ASN A 88 -16.745 5.148 -10.269 1.00 0.00 C ATOM 1087 CG ASN A 88 -18.132 5.560 -9.817 1.00 0.00 C ATOM 1088 OD1 ASN A 88 -19.133 5.190 -10.430 1.00 0.00 O ATOM 1089 ND2 ASN A 88 -18.198 6.331 -8.738 1.00 0.00 N ATOM 0 H ASN A 88 -16.953 2.927 -11.397 1.00 0.00 H new ATOM 0 HA ASN A 88 -17.352 5.651 -12.270 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -16.467 4.216 -9.777 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -16.024 5.902 -9.953 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -19.104 6.640 -8.387 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -17.342 6.614 -8.260 1.00 0.00 H new ATOM 1096 N GLY A 89 -15.158 5.974 -13.403 1.00 0.00 N ATOM 1097 CA GLY A 89 -13.866 6.340 -13.957 1.00 0.00 C ATOM 1098 C GLY A 89 -12.999 7.087 -12.963 1.00 0.00 C ATOM 1099 O GLY A 89 -11.789 6.873 -12.901 1.00 0.00 O ATOM 0 H GLY A 89 -15.961 6.281 -13.952 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -13.346 5.439 -14.283 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -14.016 6.960 -14.841 1.00 0.00 H new ATOM 1103 N LYS A 90 -13.619 7.964 -12.180 1.00 0.00 N ATOM 1104 CA LYS A 90 -12.894 8.739 -11.182 1.00 0.00 C ATOM 1105 C LYS A 90 -12.229 7.818 -10.166 1.00 0.00 C ATOM 1106 O LYS A 90 -11.003 7.781 -10.056 1.00 0.00 O ATOM 1107 CB LYS A 90 -13.839 9.708 -10.469 1.00 0.00 C ATOM 1108 CG LYS A 90 -13.178 11.016 -10.065 1.00 0.00 C ATOM 1109 CD LYS A 90 -13.666 11.493 -8.707 1.00 0.00 C ATOM 1110 CE LYS A 90 -15.016 12.185 -8.811 1.00 0.00 C ATOM 1111 NZ LYS A 90 -15.404 12.840 -7.532 1.00 0.00 N ATOM 0 H LYS A 90 -14.620 8.155 -12.218 1.00 0.00 H new ATOM 0 HA LYS A 90 -12.120 9.312 -11.692 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -14.685 9.924 -11.122 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -14.240 9.223 -9.579 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -12.096 10.885 -10.038 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -13.388 11.778 -10.816 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -13.743 10.644 -8.028 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -12.936 12.179 -8.278 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -14.981 12.931 -9.605 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -15.777 11.456 -9.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -16.330 13.300 -7.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -15.462 12.125 -6.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -14.691 13.553 -7.277 1.00 0.00 H new ATOM 1125 N LEU A 91 -13.045 7.074 -9.426 1.00 0.00 N ATOM 1126 CA LEU A 91 -12.535 6.152 -8.420 1.00 0.00 C ATOM 1127 C LEU A 91 -11.596 5.128 -9.041 1.00 0.00 C ATOM 1128 O LEU A 91 -10.564 4.790 -8.463 1.00 0.00 O ATOM 1129 CB LEU A 91 -13.686 5.440 -7.720 1.00 0.00 C ATOM 1130 CG LEU A 91 -14.226 6.161 -6.490 1.00 0.00 C ATOM 1131 CD1 LEU A 91 -15.449 5.441 -5.948 1.00 0.00 C ATOM 1132 CD2 LEU A 91 -13.144 6.276 -5.422 1.00 0.00 C ATOM 0 H LEU A 91 -14.062 7.092 -9.505 1.00 0.00 H new ATOM 0 HA LEU A 91 -11.975 6.733 -7.687 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -14.500 5.306 -8.433 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -13.354 4.445 -7.425 1.00 0.00 H new ATOM 0 HG LEU A 91 -14.525 7.168 -6.780 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -15.822 5.968 -5.070 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -16.225 5.415 -6.713 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -15.178 4.422 -5.671 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -13.546 6.793 -4.551 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -12.812 5.279 -5.131 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -12.299 6.838 -5.819 1.00 0.00 H new ATOM 1144 N SER A 92 -11.957 4.638 -10.224 1.00 0.00 N ATOM 1145 CA SER A 92 -11.137 3.654 -10.924 1.00 0.00 C ATOM 1146 C SER A 92 -9.678 4.092 -10.932 1.00 0.00 C ATOM 1147 O SER A 92 -8.770 3.280 -10.761 1.00 0.00 O ATOM 1148 CB SER A 92 -11.637 3.459 -12.357 1.00 0.00 C ATOM 1149 OG SER A 92 -11.118 4.456 -13.220 1.00 0.00 O ATOM 0 H SER A 92 -12.809 4.905 -10.717 1.00 0.00 H new ATOM 0 HA SER A 92 -11.216 2.703 -10.397 1.00 0.00 H new ATOM 0 HB2 SER A 92 -11.342 2.473 -12.717 1.00 0.00 H new ATOM 0 HB3 SER A 92 -12.726 3.492 -12.373 1.00 0.00 H new ATOM 0 HG SER A 92 -11.218 5.336 -12.801 1.00 0.00 H new ATOM 1155 N ALA A 93 -9.470 5.391 -11.113 1.00 0.00 N ATOM 1156 CA ALA A 93 -8.129 5.957 -11.124 1.00 0.00 C ATOM 1157 C ALA A 93 -7.584 6.063 -9.706 1.00 0.00 C ATOM 1158 O ALA A 93 -6.380 5.949 -9.480 1.00 0.00 O ATOM 1159 CB ALA A 93 -8.138 7.322 -11.793 1.00 0.00 C ATOM 0 H ALA A 93 -10.216 6.072 -11.254 1.00 0.00 H new ATOM 0 HA ALA A 93 -7.478 5.295 -11.694 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -7.129 7.733 -11.794 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -8.490 7.222 -12.820 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -8.802 7.991 -11.246 1.00 0.00 H new ATOM 1165 N ASP A 94 -8.488 6.275 -8.752 1.00 0.00 N ATOM 1166 CA ASP A 94 -8.112 6.391 -7.347 1.00 0.00 C ATOM 1167 C ASP A 94 -7.190 5.248 -6.935 1.00 0.00 C ATOM 1168 O ASP A 94 -5.997 5.448 -6.719 1.00 0.00 O ATOM 1169 CB ASP A 94 -9.361 6.393 -6.462 1.00 0.00 C ATOM 1170 CG ASP A 94 -9.333 7.501 -5.427 1.00 0.00 C ATOM 1171 OD1 ASP A 94 -8.231 8.009 -5.131 1.00 0.00 O ATOM 1172 OD2 ASP A 94 -10.413 7.860 -4.913 1.00 0.00 O ATOM 0 H ASP A 94 -9.488 6.370 -8.928 1.00 0.00 H new ATOM 0 HA ASP A 94 -7.578 7.332 -7.217 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -10.246 6.506 -7.088 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -9.448 5.430 -5.958 1.00 0.00 H new ATOM 1177 N PHE A 95 -7.757 4.051 -6.834 1.00 0.00 N ATOM 1178 CA PHE A 95 -6.997 2.868 -6.451 1.00 0.00 C ATOM 1179 C PHE A 95 -5.844 2.622 -7.423 1.00 0.00 C ATOM 1180 O PHE A 95 -4.735 2.282 -7.012 1.00 0.00 O ATOM 1181 CB PHE A 95 -7.933 1.654 -6.391 1.00 0.00 C ATOM 1182 CG PHE A 95 -7.396 0.413 -7.051 1.00 0.00 C ATOM 1183 CD1 PHE A 95 -7.592 0.200 -8.405 1.00 0.00 C ATOM 1184 CD2 PHE A 95 -6.699 -0.538 -6.320 1.00 0.00 C ATOM 1185 CE1 PHE A 95 -7.104 -0.936 -9.021 1.00 0.00 C ATOM 1186 CE2 PHE A 95 -6.210 -1.675 -6.930 1.00 0.00 C ATOM 1187 CZ PHE A 95 -6.412 -1.876 -8.282 1.00 0.00 C ATOM 0 H PHE A 95 -8.745 3.874 -7.013 1.00 0.00 H new ATOM 0 HA PHE A 95 -6.564 3.029 -5.464 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -8.148 1.429 -5.346 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -8.880 1.919 -6.862 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -8.133 0.931 -8.987 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -6.538 -0.387 -5.263 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -7.263 -1.089 -10.078 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -5.669 -2.408 -6.350 1.00 0.00 H new ATOM 0 HZ PHE A 95 -6.030 -2.766 -8.760 1.00 0.00 H new ATOM 1197 N LYS A 96 -6.115 2.794 -8.715 1.00 0.00 N ATOM 1198 CA LYS A 96 -5.101 2.587 -9.745 1.00 0.00 C ATOM 1199 C LYS A 96 -3.826 3.357 -9.419 1.00 0.00 C ATOM 1200 O LYS A 96 -2.719 2.861 -9.626 1.00 0.00 O ATOM 1201 CB LYS A 96 -5.634 3.019 -11.111 1.00 0.00 C ATOM 1202 CG LYS A 96 -6.527 1.981 -11.769 1.00 0.00 C ATOM 1203 CD LYS A 96 -7.307 2.575 -12.929 1.00 0.00 C ATOM 1204 CE LYS A 96 -6.547 2.442 -14.239 1.00 0.00 C ATOM 1205 NZ LYS A 96 -7.445 2.588 -15.417 1.00 0.00 N ATOM 0 H LYS A 96 -7.028 3.076 -9.073 1.00 0.00 H new ATOM 0 HA LYS A 96 -4.864 1.523 -9.774 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -6.193 3.948 -10.997 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -4.792 3.233 -11.770 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -5.919 1.149 -12.125 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -7.220 1.576 -11.032 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -8.271 2.074 -13.014 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -7.511 3.627 -12.731 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -5.764 3.199 -14.283 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -6.054 1.471 -14.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -6.890 2.491 -16.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -8.177 1.850 -15.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -7.896 3.525 -15.396 1.00 0.00 H new ATOM 1219 N ASN A 97 -3.991 4.570 -8.903 1.00 0.00 N ATOM 1220 CA ASN A 97 -2.852 5.408 -8.542 1.00 0.00 C ATOM 1221 C ASN A 97 -2.184 4.891 -7.274 1.00 0.00 C ATOM 1222 O ASN A 97 -0.964 4.965 -7.129 1.00 0.00 O ATOM 1223 CB ASN A 97 -3.300 6.856 -8.337 1.00 0.00 C ATOM 1224 CG ASN A 97 -3.845 7.478 -9.608 1.00 0.00 C ATOM 1225 OD1 ASN A 97 -4.964 7.992 -9.631 1.00 0.00 O ATOM 1226 ND2 ASN A 97 -3.054 7.435 -10.674 1.00 0.00 N ATOM 0 H ASN A 97 -4.901 4.995 -8.725 1.00 0.00 H new ATOM 0 HA ASN A 97 -2.131 5.370 -9.359 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -4.065 6.890 -7.562 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -2.457 7.447 -7.979 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -3.366 7.838 -11.557 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -2.134 6.999 -10.609 1.00 0.00 H new ATOM 1233 N LEU A 98 -2.993 4.369 -6.358 1.00 0.00 N ATOM 1234 CA LEU A 98 -2.479 3.840 -5.102 1.00 0.00 C ATOM 1235 C LEU A 98 -1.705 2.551 -5.338 1.00 0.00 C ATOM 1236 O LEU A 98 -0.526 2.456 -5.003 1.00 0.00 O ATOM 1237 CB LEU A 98 -3.627 3.595 -4.122 1.00 0.00 C ATOM 1238 CG LEU A 98 -4.641 4.734 -4.023 1.00 0.00 C ATOM 1239 CD1 LEU A 98 -5.938 4.251 -3.393 1.00 0.00 C ATOM 1240 CD2 LEU A 98 -4.060 5.897 -3.236 1.00 0.00 C ATOM 0 H LEU A 98 -4.005 4.301 -6.462 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.799 4.576 -4.672 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.151 2.686 -4.418 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.208 3.413 -3.132 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.865 5.080 -5.032 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -6.644 5.079 -3.333 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.364 3.454 -4.003 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -5.737 3.873 -2.391 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.796 6.699 -3.176 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.803 5.564 -2.231 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -3.164 6.264 -3.737 1.00 0.00 H new ATOM 1252 N LYS A 99 -2.366 1.562 -5.929 1.00 0.00 N ATOM 1253 CA LYS A 99 -1.716 0.289 -6.218 1.00 0.00 C ATOM 1254 C LYS A 99 -0.486 0.519 -7.082 1.00 0.00 C ATOM 1255 O LYS A 99 0.535 -0.150 -6.926 1.00 0.00 O ATOM 1256 CB LYS A 99 -2.680 -0.670 -6.923 1.00 0.00 C ATOM 1257 CG LYS A 99 -3.556 0.002 -7.968 1.00 0.00 C ATOM 1258 CD LYS A 99 -3.608 -0.802 -9.257 1.00 0.00 C ATOM 1259 CE LYS A 99 -2.679 -0.223 -10.312 1.00 0.00 C ATOM 1260 NZ LYS A 99 -2.146 -1.275 -11.222 1.00 0.00 N ATOM 0 H LYS A 99 -3.343 1.616 -6.215 1.00 0.00 H new ATOM 0 HA LYS A 99 -1.413 -0.164 -5.274 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -2.105 -1.464 -7.400 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -3.318 -1.143 -6.177 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.565 0.124 -7.574 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -3.173 1.001 -8.177 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -3.330 -1.836 -9.054 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -4.629 -0.816 -9.638 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -3.215 0.525 -10.896 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -1.850 0.289 -9.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -1.517 -0.839 -11.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -1.613 -1.975 -10.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -2.936 -1.746 -11.708 1.00 0.00 H new ATOM 1274 N THR A 100 -0.591 1.488 -7.983 1.00 0.00 N ATOM 1275 CA THR A 100 0.510 1.833 -8.868 1.00 0.00 C ATOM 1276 C THR A 100 1.659 2.429 -8.065 1.00 0.00 C ATOM 1277 O THR A 100 2.788 1.941 -8.122 1.00 0.00 O ATOM 1278 CB THR A 100 0.034 2.822 -9.938 1.00 0.00 C ATOM 1279 OG1 THR A 100 -0.691 2.150 -10.952 1.00 0.00 O ATOM 1280 CG2 THR A 100 1.157 3.583 -10.608 1.00 0.00 C ATOM 0 H THR A 100 -1.432 2.050 -8.119 1.00 0.00 H new ATOM 0 HA THR A 100 0.864 0.929 -9.363 1.00 0.00 H new ATOM 0 HB THR A 100 -0.593 3.537 -9.404 1.00 0.00 H new ATOM 0 HG1 THR A 100 -1.643 2.370 -10.874 1.00 0.00 H new ATOM 0 HG21 THR A 100 0.742 4.263 -11.352 1.00 0.00 H new ATOM 0 HG22 THR A 100 1.706 4.155 -9.860 1.00 0.00 H new ATOM 0 HG23 THR A 100 1.833 2.880 -11.095 1.00 0.00 H new ATOM 1288 N LYS A 101 1.365 3.483 -7.311 1.00 0.00 N ATOM 1289 CA LYS A 101 2.380 4.130 -6.494 1.00 0.00 C ATOM 1290 C LYS A 101 2.924 3.145 -5.467 1.00 0.00 C ATOM 1291 O LYS A 101 4.111 3.152 -5.152 1.00 0.00 O ATOM 1292 CB LYS A 101 1.805 5.375 -5.803 1.00 0.00 C ATOM 1293 CG LYS A 101 1.020 5.079 -4.533 1.00 0.00 C ATOM 1294 CD LYS A 101 0.628 6.359 -3.811 1.00 0.00 C ATOM 1295 CE LYS A 101 1.780 6.909 -2.986 1.00 0.00 C ATOM 1296 NZ LYS A 101 1.322 7.426 -1.667 1.00 0.00 N ATOM 0 H LYS A 101 0.438 3.904 -7.250 1.00 0.00 H new ATOM 0 HA LYS A 101 3.199 4.451 -7.138 1.00 0.00 H new ATOM 0 HB2 LYS A 101 2.624 6.053 -5.561 1.00 0.00 H new ATOM 0 HB3 LYS A 101 1.155 5.898 -6.504 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.124 4.511 -4.782 1.00 0.00 H new ATOM 0 HG3 LYS A 101 1.619 4.455 -3.870 1.00 0.00 H new ATOM 0 HD2 LYS A 101 0.311 7.106 -4.539 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -0.226 6.165 -3.162 1.00 0.00 H new ATOM 0 HE2 LYS A 101 2.522 6.126 -2.831 1.00 0.00 H new ATOM 0 HE3 LYS A 101 2.272 7.709 -3.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 1.794 8.330 -1.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 0.292 7.571 -1.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 1.559 6.739 -0.923 1.00 0.00 H new ATOM 1310 N TYR A 102 2.038 2.293 -4.960 1.00 0.00 N ATOM 1311 CA TYR A 102 2.415 1.288 -3.973 1.00 0.00 C ATOM 1312 C TYR A 102 3.470 0.343 -4.545 1.00 0.00 C ATOM 1313 O TYR A 102 4.392 -0.070 -3.842 1.00 0.00 O ATOM 1314 CB TYR A 102 1.172 0.509 -3.520 1.00 0.00 C ATOM 1315 CG TYR A 102 1.454 -0.886 -3.000 1.00 0.00 C ATOM 1316 CD1 TYR A 102 2.238 -1.088 -1.869 1.00 0.00 C ATOM 1317 CD2 TYR A 102 0.932 -2.001 -3.644 1.00 0.00 C ATOM 1318 CE1 TYR A 102 2.491 -2.364 -1.396 1.00 0.00 C ATOM 1319 CE2 TYR A 102 1.181 -3.276 -3.177 1.00 0.00 C ATOM 1320 CZ TYR A 102 1.960 -3.452 -2.054 1.00 0.00 C ATOM 1321 OH TYR A 102 2.211 -4.721 -1.590 1.00 0.00 O ATOM 0 H TYR A 102 1.051 2.279 -5.218 1.00 0.00 H new ATOM 0 HA TYR A 102 2.847 1.788 -3.107 1.00 0.00 H new ATOM 0 HB2 TYR A 102 0.668 1.078 -2.739 1.00 0.00 H new ATOM 0 HB3 TYR A 102 0.480 0.436 -4.359 1.00 0.00 H new ATOM 0 HD1 TYR A 102 2.656 -0.237 -1.352 1.00 0.00 H new ATOM 0 HD2 TYR A 102 0.321 -1.868 -4.525 1.00 0.00 H new ATOM 0 HE1 TYR A 102 3.101 -2.506 -0.516 1.00 0.00 H new ATOM 0 HE2 TYR A 102 0.767 -4.132 -3.690 1.00 0.00 H new ATOM 0 HH TYR A 102 2.131 -5.361 -2.328 1.00 0.00 H new ATOM 1331 N GLN A 103 3.329 0.008 -5.824 1.00 0.00 N ATOM 1332 CA GLN A 103 4.274 -0.885 -6.484 1.00 0.00 C ATOM 1333 C GLN A 103 5.670 -0.276 -6.495 1.00 0.00 C ATOM 1334 O GLN A 103 6.666 -0.974 -6.306 1.00 0.00 O ATOM 1335 CB GLN A 103 3.821 -1.177 -7.917 1.00 0.00 C ATOM 1336 CG GLN A 103 2.533 -1.978 -8.002 1.00 0.00 C ATOM 1337 CD GLN A 103 2.632 -3.142 -8.969 1.00 0.00 C ATOM 1338 OE1 GLN A 103 2.871 -4.281 -8.566 1.00 0.00 O ATOM 1339 NE2 GLN A 103 2.448 -2.861 -10.254 1.00 0.00 N ATOM 0 H GLN A 103 2.572 0.340 -6.422 1.00 0.00 H new ATOM 0 HA GLN A 103 4.305 -1.820 -5.925 1.00 0.00 H new ATOM 0 HB2 GLN A 103 3.686 -0.233 -8.445 1.00 0.00 H new ATOM 0 HB3 GLN A 103 4.611 -1.721 -8.434 1.00 0.00 H new ATOM 0 HG2 GLN A 103 2.278 -2.354 -7.011 1.00 0.00 H new ATOM 0 HG3 GLN A 103 1.721 -1.321 -8.312 1.00 0.00 H new ATOM 0 HE21 GLN A 103 2.252 -1.903 -10.544 1.00 0.00 H new ATOM 0 HE22 GLN A 103 2.503 -3.603 -10.951 1.00 0.00 H new ATOM 1348 N SER A 104 5.738 1.030 -6.714 1.00 0.00 N ATOM 1349 CA SER A 104 7.015 1.730 -6.742 1.00 0.00 C ATOM 1350 C SER A 104 7.679 1.683 -5.373 1.00 0.00 C ATOM 1351 O SER A 104 8.902 1.589 -5.264 1.00 0.00 O ATOM 1352 CB SER A 104 6.811 3.185 -7.158 1.00 0.00 C ATOM 1353 OG SER A 104 5.947 3.281 -8.277 1.00 0.00 O ATOM 0 H SER A 104 4.925 1.625 -6.875 1.00 0.00 H new ATOM 0 HA SER A 104 7.660 1.234 -7.468 1.00 0.00 H new ATOM 0 HB2 SER A 104 6.394 3.750 -6.324 1.00 0.00 H new ATOM 0 HB3 SER A 104 7.774 3.636 -7.399 1.00 0.00 H new ATOM 0 HG SER A 104 5.832 4.223 -8.522 1.00 0.00 H new ATOM 1359 N LEU A 105 6.859 1.755 -4.333 1.00 0.00 N ATOM 1360 CA LEU A 105 7.348 1.728 -2.964 1.00 0.00 C ATOM 1361 C LEU A 105 8.009 0.399 -2.643 1.00 0.00 C ATOM 1362 O LEU A 105 9.128 0.357 -2.134 1.00 0.00 O ATOM 1363 CB LEU A 105 6.193 1.976 -1.997 1.00 0.00 C ATOM 1364 CG LEU A 105 5.375 3.232 -2.282 1.00 0.00 C ATOM 1365 CD1 LEU A 105 4.106 3.250 -1.443 1.00 0.00 C ATOM 1366 CD2 LEU A 105 6.213 4.471 -2.027 1.00 0.00 C ATOM 0 H LEU A 105 5.845 1.833 -4.414 1.00 0.00 H new ATOM 0 HA LEU A 105 8.094 2.515 -2.854 1.00 0.00 H new ATOM 0 HB2 LEU A 105 5.527 1.113 -2.020 1.00 0.00 H new ATOM 0 HB3 LEU A 105 6.593 2.042 -0.985 1.00 0.00 H new ATOM 0 HG LEU A 105 5.081 3.226 -3.331 1.00 0.00 H new ATOM 0 HD11 LEU A 105 3.538 4.154 -1.662 1.00 0.00 H new ATOM 0 HD12 LEU A 105 3.501 2.375 -1.680 1.00 0.00 H new ATOM 0 HD13 LEU A 105 4.369 3.234 -0.385 1.00 0.00 H new ATOM 0 HD21 LEU A 105 5.619 5.361 -2.234 1.00 0.00 H new ATOM 0 HD22 LEU A 105 6.536 4.484 -0.986 1.00 0.00 H new ATOM 0 HD23 LEU A 105 7.087 4.459 -2.678 1.00 0.00 H new ATOM 1378 N GLN A 106 7.309 -0.686 -2.941 1.00 0.00 N ATOM 1379 CA GLN A 106 7.841 -2.019 -2.673 1.00 0.00 C ATOM 1380 C GLN A 106 9.176 -2.212 -3.387 1.00 0.00 C ATOM 1381 O GLN A 106 10.105 -2.804 -2.840 1.00 0.00 O ATOM 1382 CB GLN A 106 6.862 -3.126 -3.103 1.00 0.00 C ATOM 1383 CG GLN A 106 5.609 -2.639 -3.816 1.00 0.00 C ATOM 1384 CD GLN A 106 4.860 -3.763 -4.503 1.00 0.00 C ATOM 1385 OE1 GLN A 106 4.926 -3.916 -5.722 1.00 0.00 O ATOM 1386 NE2 GLN A 106 4.144 -4.559 -3.720 1.00 0.00 N ATOM 0 H GLN A 106 6.381 -0.674 -3.364 1.00 0.00 H new ATOM 0 HA GLN A 106 7.987 -2.097 -1.596 1.00 0.00 H new ATOM 0 HB2 GLN A 106 7.388 -3.820 -3.759 1.00 0.00 H new ATOM 0 HB3 GLN A 106 6.563 -3.688 -2.219 1.00 0.00 H new ATOM 0 HG2 GLN A 106 4.950 -2.154 -3.096 1.00 0.00 H new ATOM 0 HG3 GLN A 106 5.884 -1.885 -4.554 1.00 0.00 H new ATOM 0 HE21 GLN A 106 4.118 -4.395 -2.714 1.00 0.00 H new ATOM 0 HE22 GLN A 106 3.620 -5.335 -4.124 1.00 0.00 H new ATOM 1395 N GLN A 107 9.256 -1.712 -4.616 1.00 0.00 N ATOM 1396 CA GLN A 107 10.469 -1.830 -5.419 1.00 0.00 C ATOM 1397 C GLN A 107 11.608 -0.989 -4.848 1.00 0.00 C ATOM 1398 O GLN A 107 12.722 -1.482 -4.673 1.00 0.00 O ATOM 1399 CB GLN A 107 10.194 -1.408 -6.865 1.00 0.00 C ATOM 1400 CG GLN A 107 8.913 -1.990 -7.438 1.00 0.00 C ATOM 1401 CD GLN A 107 9.169 -2.976 -8.561 1.00 0.00 C ATOM 1402 OE1 GLN A 107 9.231 -4.185 -8.339 1.00 0.00 O ATOM 1403 NE2 GLN A 107 9.321 -2.462 -9.777 1.00 0.00 N ATOM 0 H GLN A 107 8.492 -1.219 -5.079 1.00 0.00 H new ATOM 0 HA GLN A 107 10.774 -2.876 -5.396 1.00 0.00 H new ATOM 0 HB2 GLN A 107 10.142 -0.320 -6.913 1.00 0.00 H new ATOM 0 HB3 GLN A 107 11.033 -1.715 -7.489 1.00 0.00 H new ATOM 0 HG2 GLN A 107 8.357 -2.487 -6.643 1.00 0.00 H new ATOM 0 HG3 GLN A 107 8.284 -1.180 -7.808 1.00 0.00 H new ATOM 0 HE21 GLN A 107 9.262 -1.453 -9.915 1.00 0.00 H new ATOM 0 HE22 GLN A 107 9.497 -3.076 -10.572 1.00 0.00 H new ATOM 1412 N SER A 108 11.331 0.282 -4.566 1.00 0.00 N ATOM 1413 CA SER A 108 12.347 1.180 -4.024 1.00 0.00 C ATOM 1414 C SER A 108 12.882 0.661 -2.694 1.00 0.00 C ATOM 1415 O SER A 108 14.067 0.798 -2.388 1.00 0.00 O ATOM 1416 CB SER A 108 11.767 2.584 -3.840 1.00 0.00 C ATOM 1417 OG SER A 108 12.741 3.578 -4.109 1.00 0.00 O ATOM 0 H SER A 108 10.416 0.711 -4.703 1.00 0.00 H new ATOM 0 HA SER A 108 13.173 1.223 -4.733 1.00 0.00 H new ATOM 0 HB2 SER A 108 10.913 2.718 -4.504 1.00 0.00 H new ATOM 0 HB3 SER A 108 11.399 2.698 -2.820 1.00 0.00 H new ATOM 0 HG SER A 108 12.345 4.466 -3.986 1.00 0.00 H new ATOM 1423 N TYR A 109 11.994 0.072 -1.907 1.00 0.00 N ATOM 1424 CA TYR A 109 12.354 -0.465 -0.601 1.00 0.00 C ATOM 1425 C TYR A 109 12.949 -1.864 -0.723 1.00 0.00 C ATOM 1426 O TYR A 109 13.957 -2.173 -0.088 1.00 0.00 O ATOM 1427 CB TYR A 109 11.111 -0.460 0.295 1.00 0.00 C ATOM 1428 CG TYR A 109 10.818 -1.752 1.032 1.00 0.00 C ATOM 1429 CD1 TYR A 109 11.770 -2.359 1.843 1.00 0.00 C ATOM 1430 CD2 TYR A 109 9.573 -2.353 0.919 1.00 0.00 C ATOM 1431 CE1 TYR A 109 11.488 -3.530 2.517 1.00 0.00 C ATOM 1432 CE2 TYR A 109 9.282 -3.522 1.589 1.00 0.00 C ATOM 1433 CZ TYR A 109 10.242 -4.108 2.388 1.00 0.00 C ATOM 1434 OH TYR A 109 9.956 -5.275 3.058 1.00 0.00 O ATOM 0 H TYR A 109 11.011 -0.047 -2.152 1.00 0.00 H new ATOM 0 HA TYR A 109 13.123 0.163 -0.151 1.00 0.00 H new ATOM 0 HB2 TYR A 109 11.220 0.338 1.030 1.00 0.00 H new ATOM 0 HB3 TYR A 109 10.246 -0.211 -0.319 1.00 0.00 H new ATOM 0 HD1 TYR A 109 12.745 -1.907 1.947 1.00 0.00 H new ATOM 0 HD2 TYR A 109 8.818 -1.897 0.295 1.00 0.00 H new ATOM 0 HE1 TYR A 109 12.239 -3.991 3.142 1.00 0.00 H new ATOM 0 HE2 TYR A 109 8.308 -3.977 1.489 1.00 0.00 H new ATOM 0 HH TYR A 109 10.475 -5.311 3.888 1.00 0.00 H new ATOM 1444 N ASN A 110 12.323 -2.710 -1.533 1.00 0.00 N ATOM 1445 CA ASN A 110 12.805 -4.074 -1.715 1.00 0.00 C ATOM 1446 C ASN A 110 14.281 -4.075 -2.094 1.00 0.00 C ATOM 1447 O ASN A 110 15.061 -4.886 -1.597 1.00 0.00 O ATOM 1448 CB ASN A 110 11.986 -4.801 -2.783 1.00 0.00 C ATOM 1449 CG ASN A 110 10.705 -5.392 -2.226 1.00 0.00 C ATOM 1450 OD1 ASN A 110 10.665 -5.853 -1.085 1.00 0.00 O ATOM 1451 ND2 ASN A 110 9.650 -5.382 -3.032 1.00 0.00 N ATOM 0 H ASN A 110 11.487 -2.478 -2.070 1.00 0.00 H new ATOM 0 HA ASN A 110 12.687 -4.603 -0.769 1.00 0.00 H new ATOM 0 HB2 ASN A 110 11.743 -4.106 -3.586 1.00 0.00 H new ATOM 0 HB3 ASN A 110 12.589 -5.596 -3.221 1.00 0.00 H new ATOM 0 HD21 ASN A 110 8.761 -5.767 -2.713 1.00 0.00 H new ATOM 0 HD22 ASN A 110 9.729 -4.990 -3.970 1.00 0.00 H new ATOM 1458 N GLN A 111 14.667 -3.150 -2.961 1.00 0.00 N ATOM 1459 CA GLN A 111 16.058 -3.049 -3.369 1.00 0.00 C ATOM 1460 C GLN A 111 16.904 -2.627 -2.181 1.00 0.00 C ATOM 1461 O GLN A 111 17.850 -3.313 -1.798 1.00 0.00 O ATOM 1462 CB GLN A 111 16.234 -2.045 -4.510 1.00 0.00 C ATOM 1463 CG GLN A 111 15.596 -0.688 -4.266 1.00 0.00 C ATOM 1464 CD GLN A 111 15.408 0.100 -5.546 1.00 0.00 C ATOM 1465 OE1 GLN A 111 14.349 0.050 -6.172 1.00 0.00 O ATOM 1466 NE2 GLN A 111 16.443 0.831 -5.945 1.00 0.00 N ATOM 0 H GLN A 111 14.044 -2.466 -3.391 1.00 0.00 H new ATOM 0 HA GLN A 111 16.380 -4.026 -3.728 1.00 0.00 H new ATOM 0 HB2 GLN A 111 17.300 -1.903 -4.690 1.00 0.00 H new ATOM 0 HB3 GLN A 111 15.811 -2.472 -5.420 1.00 0.00 H new ATOM 0 HG2 GLN A 111 14.629 -0.826 -3.782 1.00 0.00 H new ATOM 0 HG3 GLN A 111 16.218 -0.115 -3.578 1.00 0.00 H new ATOM 0 HE21 GLN A 111 17.302 0.843 -5.395 1.00 0.00 H new ATOM 0 HE22 GLN A 111 16.379 1.381 -6.802 1.00 0.00 H new ATOM 1475 N ARG A 112 16.534 -1.493 -1.597 1.00 0.00 N ATOM 1476 CA ARG A 112 17.230 -0.951 -0.437 1.00 0.00 C ATOM 1477 C ARG A 112 17.406 -2.015 0.641 1.00 0.00 C ATOM 1478 O ARG A 112 18.458 -2.103 1.273 1.00 0.00 O ATOM 1479 CB ARG A 112 16.457 0.240 0.134 1.00 0.00 C ATOM 1480 CG ARG A 112 16.987 1.588 -0.324 1.00 0.00 C ATOM 1481 CD ARG A 112 16.190 2.731 0.284 1.00 0.00 C ATOM 1482 NE ARG A 112 17.023 3.902 0.546 1.00 0.00 N ATOM 1483 CZ ARG A 112 16.539 5.126 0.744 1.00 0.00 C ATOM 1484 NH1 ARG A 112 15.230 5.342 0.709 1.00 0.00 N ATOM 1485 NH2 ARG A 112 17.365 6.136 0.979 1.00 0.00 N ATOM 0 H ARG A 112 15.747 -0.926 -1.913 1.00 0.00 H new ATOM 0 HA ARG A 112 18.217 -0.619 -0.760 1.00 0.00 H new ATOM 0 HB2 ARG A 112 15.409 0.154 -0.155 1.00 0.00 H new ATOM 0 HB3 ARG A 112 16.492 0.196 1.223 1.00 0.00 H new ATOM 0 HG2 ARG A 112 18.036 1.683 -0.043 1.00 0.00 H new ATOM 0 HG3 ARG A 112 16.942 1.648 -1.411 1.00 0.00 H new ATOM 0 HD2 ARG A 112 15.379 3.007 -0.391 1.00 0.00 H new ATOM 0 HD3 ARG A 112 15.731 2.398 1.215 1.00 0.00 H new ATOM 0 HE ARG A 112 18.034 3.774 0.579 1.00 0.00 H new ATOM 0 HH11 ARG A 112 14.590 4.568 0.530 1.00 0.00 H new ATOM 0 HH12 ARG A 112 14.864 6.282 0.861 1.00 0.00 H new ATOM 0 HH21 ARG A 112 18.372 5.975 1.008 1.00 0.00 H new ATOM 0 HH22 ARG A 112 16.994 7.074 1.131 1.00 0.00 H new ATOM 1499 N LYS A 113 16.369 -2.823 0.846 1.00 0.00 N ATOM 1500 CA LYS A 113 16.423 -3.879 1.851 1.00 0.00 C ATOM 1501 C LYS A 113 17.506 -4.895 1.500 1.00 0.00 C ATOM 1502 O LYS A 113 18.103 -5.512 2.382 1.00 0.00 O ATOM 1503 CB LYS A 113 15.049 -4.556 2.008 1.00 0.00 C ATOM 1504 CG LYS A 113 14.754 -5.660 1.001 1.00 0.00 C ATOM 1505 CD LYS A 113 14.019 -6.820 1.654 1.00 0.00 C ATOM 1506 CE LYS A 113 12.529 -6.538 1.775 1.00 0.00 C ATOM 1507 NZ LYS A 113 11.707 -7.695 1.324 1.00 0.00 N ATOM 0 H LYS A 113 15.489 -2.767 0.334 1.00 0.00 H new ATOM 0 HA LYS A 113 16.681 -3.431 2.811 1.00 0.00 H new ATOM 0 HB2 LYS A 113 14.980 -4.974 3.012 1.00 0.00 H new ATOM 0 HB3 LYS A 113 14.274 -3.794 1.926 1.00 0.00 H new ATOM 0 HG2 LYS A 113 14.153 -5.259 0.184 1.00 0.00 H new ATOM 0 HG3 LYS A 113 15.687 -6.017 0.565 1.00 0.00 H new ATOM 0 HD2 LYS A 113 14.173 -7.726 1.068 1.00 0.00 H new ATOM 0 HD3 LYS A 113 14.437 -7.006 2.643 1.00 0.00 H new ATOM 0 HE2 LYS A 113 12.287 -6.303 2.811 1.00 0.00 H new ATOM 0 HE3 LYS A 113 12.276 -5.660 1.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 11.204 -7.443 0.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 12.326 -8.511 1.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 11.017 -7.939 2.063 1.00 0.00 H new ATOM 1521 N SER A 114 17.765 -5.049 0.204 1.00 0.00 N ATOM 1522 CA SER A 114 18.788 -5.974 -0.268 1.00 0.00 C ATOM 1523 C SER A 114 20.174 -5.346 -0.139 1.00 0.00 C ATOM 1524 O SER A 114 21.179 -6.049 -0.032 1.00 0.00 O ATOM 1525 CB SER A 114 18.523 -6.361 -1.724 1.00 0.00 C ATOM 1526 OG SER A 114 19.004 -7.665 -2.001 1.00 0.00 O ATOM 0 H SER A 114 17.279 -4.544 -0.537 1.00 0.00 H new ATOM 0 HA SER A 114 18.751 -6.872 0.348 1.00 0.00 H new ATOM 0 HB2 SER A 114 17.453 -6.314 -1.927 1.00 0.00 H new ATOM 0 HB3 SER A 114 19.005 -5.643 -2.388 1.00 0.00 H new ATOM 0 HG SER A 114 18.821 -7.889 -2.937 1.00 0.00 H new