USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 800 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 71 ASN : amide:sc= 1.65 K(o=2.6,f=-4.8!) USER MOD Set 1.2: A 74 LYS NZ :NH3+ -112:sc= 0.95 (180deg=-0.0238) USER MOD Set 2.1: A 63 GLN : amide:sc= 0.449 K(o=0.78,f=-0.43) USER MOD Set 2.2: A 67 ASN : amide:sc= 0.33 K(o=0.78,f=-0.97) USER MOD Set 3.1: A 25 ASN : amide:sc= -0.632 X(o=-0.81,f=-0.37) USER MOD Set 3.2: A 26 TYR OH : rot 84:sc= -0.175 USER MOD Set 4.1: A 19 GLN : amide:sc= -0.0422 K(o=0.28,f=-0.28) USER MOD Set 4.2: A 33 THR OG1 : rot -158:sc= 0.416 USER MOD Set 4.3: A 59 ASN : amide:sc= -0.0985 K(o=0.28,f=-0.82) USER MOD Single : A 3 LYS NZ :NH3+ -108:sc= 0.907 (180deg=-0.27) USER MOD Single : A 9 SER OG : rot 180:sc= 0.0108 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.0578 X(o=-0.058,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 69:sc= 1.25 USER MOD Single : A 23 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0345) USER MOD Single : A 24 HIS : no HD1:sc= -0.194 X(o=-0.19,f=-0.48) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0.309 X(o=0.31,f=-0.028) USER MOD Single : A 45 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0363) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 MET CE :methyl -164:sc= -1.06 (180deg=-1.85) USER MOD Single : A 48 LYS NZ :NH3+ 168:sc= 0.732 (180deg=0.618) USER MOD Single : A 50 ASN : amide:sc= -0.136 K(o=-0.14,f=-2.5!) USER MOD Single : A 52 LYS NZ :NH3+ -179:sc= 0.97 (180deg=0.969) USER MOD Single : A 62 SER OG : rot -2:sc= 0.365 USER MOD Single : A 64 ASN : amide:sc= -0.234 X(o=-0.23,f=0) USER MOD Single : A 70 GLN : amide:sc= -0.84 K(o=-0.84,f=-0.11) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ -160:sc= -1.4 (180deg=-2.24!) USER MOD Single : A 85 SER OG : rot 154:sc= 0.657 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 79:sc= 1.2 USER MOD Single : A 93 GLN : amide:sc= -1 K(o=-1,f=-2.5!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 27 N LYS A 3 2.367 10.735 1.103 1.00 24.43 N ATOM 28 CA LYS A 3 1.444 10.022 2.004 1.00 24.53 C ATOM 29 C LYS A 3 1.032 8.701 1.343 1.00 54.13 C ATOM 30 O LYS A 3 0.634 8.696 0.172 1.00 42.14 O ATOM 31 CB LYS A 3 0.191 10.877 2.333 1.00 42.20 C ATOM 32 CG LYS A 3 -0.767 10.214 3.352 1.00 1.35 C ATOM 33 CD LYS A 3 -2.064 11.025 3.583 1.00 10.13 C ATOM 34 CE LYS A 3 -3.015 10.313 4.557 1.00 54.23 C ATOM 35 NZ LYS A 3 -2.361 10.031 5.864 1.00 12.21 N ATOM 0 HA LYS A 3 1.954 9.825 2.947 1.00 24.53 H new ATOM 0 HB2 LYS A 3 0.513 11.841 2.726 1.00 42.20 H new ATOM 0 HB3 LYS A 3 -0.355 11.075 1.411 1.00 42.20 H new ATOM 0 HG2 LYS A 3 -1.028 9.216 3.000 1.00 1.35 H new ATOM 0 HG3 LYS A 3 -0.248 10.091 4.303 1.00 1.35 H new ATOM 0 HD2 LYS A 3 -1.812 12.010 3.976 1.00 10.13 H new ATOM 0 HD3 LYS A 3 -2.570 11.182 2.630 1.00 10.13 H new ATOM 0 HE2 LYS A 3 -3.898 10.931 4.719 1.00 54.23 H new ATOM 0 HE3 LYS A 3 -3.357 9.378 4.113 1.00 54.23 H new ATOM 0 HZ1 LYS A 3 -2.176 9.011 5.947 1.00 12.21 H new ATOM 0 HZ2 LYS A 3 -1.463 10.552 5.922 1.00 12.21 H new ATOM 0 HZ3 LYS A 3 -2.987 10.333 6.638 1.00 12.21 H new ATOM 49 N VAL A 4 1.106 7.587 2.083 1.00 15.13 N ATOM 50 CA VAL A 4 0.865 6.250 1.517 1.00 1.35 C ATOM 51 C VAL A 4 0.057 5.363 2.479 1.00 44.32 C ATOM 52 O VAL A 4 0.171 5.503 3.697 1.00 43.41 O ATOM 53 CB VAL A 4 2.218 5.556 1.120 1.00 42.24 C ATOM 54 CG1 VAL A 4 3.100 5.252 2.335 1.00 41.12 C ATOM 55 CG2 VAL A 4 1.983 4.294 0.267 1.00 61.33 C ATOM 0 H VAL A 4 1.331 7.584 3.078 1.00 15.13 H new ATOM 0 HA VAL A 4 0.270 6.381 0.614 1.00 1.35 H new ATOM 0 HB VAL A 4 2.763 6.273 0.507 1.00 42.24 H new ATOM 0 HG11 VAL A 4 4.022 4.773 2.005 1.00 41.12 H new ATOM 0 HG12 VAL A 4 3.339 6.181 2.853 1.00 41.12 H new ATOM 0 HG13 VAL A 4 2.568 4.585 3.013 1.00 41.12 H new ATOM 0 HG21 VAL A 4 2.942 3.843 0.013 1.00 61.33 H new ATOM 0 HG22 VAL A 4 1.384 3.579 0.832 1.00 61.33 H new ATOM 0 HG23 VAL A 4 1.456 4.566 -0.648 1.00 61.33 H new ATOM 65 N LEU A 5 -0.792 4.486 1.914 1.00 14.03 N ATOM 66 CA LEU A 5 -1.554 3.487 2.676 1.00 31.43 C ATOM 67 C LEU A 5 -0.935 2.099 2.452 1.00 22.11 C ATOM 68 O LEU A 5 -1.086 1.503 1.381 1.00 41.00 O ATOM 69 CB LEU A 5 -3.049 3.492 2.256 1.00 14.20 C ATOM 70 CG LEU A 5 -3.986 2.518 3.039 1.00 23.14 C ATOM 71 CD1 LEU A 5 -3.958 2.797 4.564 1.00 24.32 C ATOM 72 CD2 LEU A 5 -5.430 2.558 2.474 1.00 34.04 C ATOM 0 H LEU A 5 -0.968 4.452 0.910 1.00 14.03 H new ATOM 0 HA LEU A 5 -1.507 3.737 3.736 1.00 31.43 H new ATOM 0 HB2 LEU A 5 -3.434 4.505 2.371 1.00 14.20 H new ATOM 0 HB3 LEU A 5 -3.108 3.247 1.196 1.00 14.20 H new ATOM 0 HG LEU A 5 -3.604 1.507 2.895 1.00 23.14 H new ATOM 0 HD11 LEU A 5 -4.622 2.099 5.074 1.00 24.32 H new ATOM 0 HD12 LEU A 5 -2.942 2.670 4.938 1.00 24.32 H new ATOM 0 HD13 LEU A 5 -4.290 3.818 4.753 1.00 24.32 H new ATOM 0 HD21 LEU A 5 -6.060 1.870 3.038 1.00 34.04 H new ATOM 0 HD22 LEU A 5 -5.827 3.569 2.562 1.00 34.04 H new ATOM 0 HD23 LEU A 5 -5.419 2.262 1.425 1.00 34.04 H new ATOM 84 N LEU A 6 -0.202 1.624 3.459 1.00 4.30 N ATOM 85 CA LEU A 6 0.401 0.289 3.472 1.00 20.40 C ATOM 86 C LEU A 6 -0.681 -0.759 3.838 1.00 45.15 C ATOM 87 O LEU A 6 -0.961 -0.992 5.016 1.00 21.11 O ATOM 88 CB LEU A 6 1.586 0.277 4.486 1.00 42.03 C ATOM 89 CG LEU A 6 2.378 -1.058 4.638 1.00 35.32 C ATOM 90 CD1 LEU A 6 3.016 -1.502 3.301 1.00 62.45 C ATOM 91 CD2 LEU A 6 3.433 -0.955 5.779 1.00 11.11 C ATOM 0 H LEU A 6 -0.007 2.164 4.302 1.00 4.30 H new ATOM 0 HA LEU A 6 0.793 0.034 2.488 1.00 20.40 H new ATOM 0 HB2 LEU A 6 2.290 1.056 4.193 1.00 42.03 H new ATOM 0 HB3 LEU A 6 1.196 0.552 5.466 1.00 42.03 H new ATOM 0 HG LEU A 6 1.666 -1.834 4.918 1.00 35.32 H new ATOM 0 HD11 LEU A 6 3.559 -2.436 3.449 1.00 62.45 H new ATOM 0 HD12 LEU A 6 2.234 -1.651 2.556 1.00 62.45 H new ATOM 0 HD13 LEU A 6 3.706 -0.733 2.954 1.00 62.45 H new ATOM 0 HD21 LEU A 6 3.971 -1.899 5.864 1.00 11.11 H new ATOM 0 HD22 LEU A 6 4.138 -0.155 5.552 1.00 11.11 H new ATOM 0 HD23 LEU A 6 2.930 -0.739 6.721 1.00 11.11 H new ATOM 103 N VAL A 7 -1.318 -1.330 2.801 1.00 43.42 N ATOM 104 CA VAL A 7 -2.325 -2.400 2.932 1.00 43.41 C ATOM 105 C VAL A 7 -1.619 -3.759 3.011 1.00 3.32 C ATOM 106 O VAL A 7 -0.874 -4.132 2.097 1.00 14.21 O ATOM 107 CB VAL A 7 -3.332 -2.387 1.718 1.00 75.13 C ATOM 108 CG1 VAL A 7 -4.353 -3.555 1.798 1.00 71.21 C ATOM 109 CG2 VAL A 7 -4.045 -1.019 1.624 1.00 71.34 C ATOM 0 H VAL A 7 -1.146 -1.058 1.833 1.00 43.42 H new ATOM 0 HA VAL A 7 -2.896 -2.227 3.845 1.00 43.41 H new ATOM 0 HB VAL A 7 -2.756 -2.537 0.805 1.00 75.13 H new ATOM 0 HG11 VAL A 7 -5.027 -3.508 0.943 1.00 71.21 H new ATOM 0 HG12 VAL A 7 -3.820 -4.506 1.788 1.00 71.21 H new ATOM 0 HG13 VAL A 7 -4.929 -3.472 2.719 1.00 71.21 H new ATOM 0 HG21 VAL A 7 -4.736 -1.026 0.781 1.00 71.34 H new ATOM 0 HG22 VAL A 7 -4.597 -0.833 2.545 1.00 71.34 H new ATOM 0 HG23 VAL A 7 -3.305 -0.232 1.479 1.00 71.34 H new ATOM 119 N ILE A 8 -1.867 -4.490 4.112 1.00 64.11 N ATOM 120 CA ILE A 8 -1.210 -5.772 4.411 1.00 3.51 C ATOM 121 C ILE A 8 -2.269 -6.828 4.754 1.00 44.42 C ATOM 122 O ILE A 8 -3.225 -6.544 5.486 1.00 34.40 O ATOM 123 CB ILE A 8 -0.205 -5.652 5.627 1.00 43.25 C ATOM 124 CG1 ILE A 8 0.764 -4.443 5.433 1.00 23.13 C ATOM 125 CG2 ILE A 8 0.583 -6.979 5.835 1.00 52.15 C ATOM 126 CD1 ILE A 8 1.872 -4.333 6.457 1.00 72.54 C ATOM 0 H ILE A 8 -2.537 -4.203 4.826 1.00 64.11 H new ATOM 0 HA ILE A 8 -0.646 -6.063 3.525 1.00 3.51 H new ATOM 0 HB ILE A 8 -0.789 -5.469 6.529 1.00 43.25 H new ATOM 0 HG12 ILE A 8 1.213 -4.513 4.442 1.00 23.13 H new ATOM 0 HG13 ILE A 8 0.180 -3.523 5.454 1.00 23.13 H new ATOM 0 HG21 ILE A 8 1.266 -6.868 6.677 1.00 52.15 H new ATOM 0 HG22 ILE A 8 -0.117 -7.789 6.040 1.00 52.15 H new ATOM 0 HG23 ILE A 8 1.152 -7.209 4.934 1.00 52.15 H new ATOM 0 HD11 ILE A 8 2.488 -3.462 6.234 1.00 72.54 H new ATOM 0 HD12 ILE A 8 1.439 -4.226 7.452 1.00 72.54 H new ATOM 0 HD13 ILE A 8 2.488 -5.232 6.424 1.00 72.54 H new ATOM 138 N SER A 9 -2.070 -8.033 4.215 1.00 13.32 N ATOM 139 CA SER A 9 -2.818 -9.239 4.581 1.00 12.20 C ATOM 140 C SER A 9 -1.993 -10.452 4.146 1.00 51.22 C ATOM 141 O SER A 9 -1.165 -10.354 3.226 1.00 32.11 O ATOM 142 CB SER A 9 -4.218 -9.269 3.907 1.00 23.32 C ATOM 143 OG SER A 9 -4.975 -10.399 4.318 1.00 1.51 O ATOM 0 H SER A 9 -1.368 -8.202 3.495 1.00 13.32 H new ATOM 0 HA SER A 9 -2.984 -9.251 5.658 1.00 12.20 H new ATOM 0 HB2 SER A 9 -4.761 -8.357 4.155 1.00 23.32 H new ATOM 0 HB3 SER A 9 -4.100 -9.285 2.824 1.00 23.32 H new ATOM 0 HG SER A 9 -5.850 -10.385 3.876 1.00 1.51 H new ATOM 149 N THR A 10 -2.204 -11.590 4.812 1.00 33.10 N ATOM 150 CA THR A 10 -1.588 -12.867 4.424 1.00 64.23 C ATOM 151 C THR A 10 -2.432 -13.531 3.305 1.00 11.21 C ATOM 152 O THR A 10 -1.931 -14.363 2.540 1.00 33.42 O ATOM 153 CB THR A 10 -1.452 -13.811 5.670 1.00 41.12 C ATOM 154 OG1 THR A 10 -0.867 -13.081 6.769 1.00 63.43 O ATOM 155 CG2 THR A 10 -0.588 -15.057 5.392 1.00 3.42 C ATOM 0 H THR A 10 -2.805 -11.655 5.634 1.00 33.10 H new ATOM 0 HA THR A 10 -0.585 -12.683 4.039 1.00 64.23 H new ATOM 0 HB THR A 10 -2.458 -14.153 5.914 1.00 41.12 H new ATOM 0 HG1 THR A 10 -0.784 -13.671 7.547 1.00 63.43 H new ATOM 0 HG21 THR A 10 -0.532 -15.669 6.292 1.00 3.42 H new ATOM 0 HG22 THR A 10 -1.036 -15.637 4.585 1.00 3.42 H new ATOM 0 HG23 THR A 10 0.416 -14.746 5.102 1.00 3.42 H new ATOM 163 N ASP A 11 -3.721 -13.136 3.211 1.00 71.53 N ATOM 164 CA ASP A 11 -4.620 -13.574 2.129 1.00 32.30 C ATOM 165 C ASP A 11 -4.352 -12.738 0.870 1.00 72.34 C ATOM 166 O ASP A 11 -4.764 -11.567 0.790 1.00 15.12 O ATOM 167 CB ASP A 11 -6.112 -13.424 2.539 1.00 43.42 C ATOM 168 CG ASP A 11 -6.514 -14.313 3.720 1.00 73.15 C ATOM 169 OD1 ASP A 11 -6.848 -15.497 3.500 1.00 14.43 O ATOM 170 OD2 ASP A 11 -6.471 -13.843 4.872 1.00 73.42 O ATOM 0 H ASP A 11 -4.163 -12.507 3.882 1.00 71.53 H new ATOM 0 HA ASP A 11 -4.424 -14.627 1.929 1.00 32.30 H new ATOM 0 HB2 ASP A 11 -6.307 -12.383 2.796 1.00 43.42 H new ATOM 0 HB3 ASP A 11 -6.742 -13.665 1.683 1.00 43.42 H new ATOM 175 N THR A 12 -3.645 -13.342 -0.104 1.00 70.34 N ATOM 176 CA THR A 12 -3.384 -12.720 -1.417 1.00 51.14 C ATOM 177 C THR A 12 -4.688 -12.563 -2.231 1.00 43.04 C ATOM 178 O THR A 12 -4.743 -11.736 -3.133 1.00 20.14 O ATOM 179 CB THR A 12 -2.325 -13.537 -2.239 1.00 2.04 C ATOM 180 OG1 THR A 12 -2.696 -14.925 -2.270 1.00 34.03 O ATOM 181 CG2 THR A 12 -0.895 -13.389 -1.670 1.00 61.32 C ATOM 0 H THR A 12 -3.239 -14.273 -0.004 1.00 70.34 H new ATOM 0 HA THR A 12 -2.975 -11.728 -1.227 1.00 51.14 H new ATOM 0 HB THR A 12 -2.316 -13.130 -3.250 1.00 2.04 H new ATOM 0 HG1 THR A 12 -2.033 -15.429 -2.786 1.00 34.03 H new ATOM 0 HG21 THR A 12 -0.201 -13.973 -2.274 1.00 61.32 H new ATOM 0 HG22 THR A 12 -0.601 -12.340 -1.693 1.00 61.32 H new ATOM 0 HG23 THR A 12 -0.873 -13.750 -0.642 1.00 61.32 H new ATOM 189 N ASN A 13 -5.725 -13.369 -1.890 1.00 50.32 N ATOM 190 CA ASN A 13 -7.063 -13.287 -2.516 1.00 73.43 C ATOM 191 C ASN A 13 -7.722 -11.955 -2.150 1.00 71.10 C ATOM 192 O ASN A 13 -8.138 -11.211 -3.029 1.00 70.20 O ATOM 193 CB ASN A 13 -7.982 -14.455 -2.063 1.00 61.32 C ATOM 194 CG ASN A 13 -9.382 -14.426 -2.720 1.00 34.21 C ATOM 195 OD1 ASN A 13 -9.604 -15.016 -3.774 1.00 43.24 O ATOM 196 ND2 ASN A 13 -10.326 -13.720 -2.107 1.00 34.31 N ATOM 0 H ASN A 13 -5.654 -14.092 -1.174 1.00 50.32 H new ATOM 0 HA ASN A 13 -6.930 -13.358 -3.595 1.00 73.43 H new ATOM 0 HB2 ASN A 13 -7.497 -15.402 -2.300 1.00 61.32 H new ATOM 0 HB3 ASN A 13 -8.096 -14.418 -0.980 1.00 61.32 H new ATOM 0 HD21 ASN A 13 -11.261 -13.659 -2.511 1.00 34.31 H new ATOM 0 HD22 ASN A 13 -10.116 -13.239 -1.232 1.00 34.31 H new ATOM 203 N ILE A 14 -7.783 -11.672 -0.833 1.00 64.43 N ATOM 204 CA ILE A 14 -8.411 -10.450 -0.287 1.00 62.13 C ATOM 205 C ILE A 14 -7.741 -9.192 -0.871 1.00 14.42 C ATOM 206 O ILE A 14 -8.428 -8.282 -1.351 1.00 72.11 O ATOM 207 CB ILE A 14 -8.337 -10.437 1.289 1.00 15.23 C ATOM 208 CG1 ILE A 14 -9.131 -11.644 1.887 1.00 23.41 C ATOM 209 CG2 ILE A 14 -8.832 -9.098 1.892 1.00 4.05 C ATOM 210 CD1 ILE A 14 -10.621 -11.676 1.565 1.00 33.25 C ATOM 0 H ILE A 14 -7.397 -12.286 -0.116 1.00 64.43 H new ATOM 0 HA ILE A 14 -9.462 -10.448 -0.577 1.00 62.13 H new ATOM 0 HB ILE A 14 -7.287 -10.538 1.562 1.00 15.23 H new ATOM 0 HG12 ILE A 14 -8.679 -12.568 1.526 1.00 23.41 H new ATOM 0 HG13 ILE A 14 -9.012 -11.633 2.970 1.00 23.41 H new ATOM 0 HG21 ILE A 14 -8.761 -9.140 2.979 1.00 4.05 H new ATOM 0 HG22 ILE A 14 -8.214 -8.281 1.519 1.00 4.05 H new ATOM 0 HG23 ILE A 14 -9.869 -8.930 1.602 1.00 4.05 H new ATOM 0 HD11 ILE A 14 -11.074 -12.553 2.028 1.00 33.25 H new ATOM 0 HD12 ILE A 14 -11.096 -10.775 1.952 1.00 33.25 H new ATOM 0 HD13 ILE A 14 -10.759 -11.724 0.485 1.00 33.25 H new ATOM 222 N ILE A 15 -6.398 -9.193 -0.859 1.00 32.31 N ATOM 223 CA ILE A 15 -5.584 -8.103 -1.430 1.00 63.13 C ATOM 224 C ILE A 15 -5.873 -7.933 -2.935 1.00 54.42 C ATOM 225 O ILE A 15 -6.111 -6.821 -3.392 1.00 40.03 O ATOM 226 CB ILE A 15 -4.050 -8.366 -1.200 1.00 55.30 C ATOM 227 CG1 ILE A 15 -3.732 -8.423 0.326 1.00 13.23 C ATOM 228 CG2 ILE A 15 -3.174 -7.307 -1.912 1.00 22.01 C ATOM 229 CD1 ILE A 15 -2.287 -8.719 0.657 1.00 61.43 C ATOM 0 H ILE A 15 -5.845 -9.948 -0.454 1.00 32.31 H new ATOM 0 HA ILE A 15 -5.857 -7.181 -0.917 1.00 63.13 H new ATOM 0 HB ILE A 15 -3.807 -9.332 -1.641 1.00 55.30 H new ATOM 0 HG12 ILE A 15 -4.006 -7.469 0.777 1.00 13.23 H new ATOM 0 HG13 ILE A 15 -4.360 -9.186 0.786 1.00 13.23 H new ATOM 0 HG21 ILE A 15 -2.121 -7.523 -1.729 1.00 22.01 H new ATOM 0 HG22 ILE A 15 -3.369 -7.334 -2.984 1.00 22.01 H new ATOM 0 HG23 ILE A 15 -3.414 -6.317 -1.525 1.00 22.01 H new ATOM 0 HD11 ILE A 15 -2.158 -8.739 1.739 1.00 61.43 H new ATOM 0 HD12 ILE A 15 -2.009 -9.687 0.240 1.00 61.43 H new ATOM 0 HD13 ILE A 15 -1.650 -7.944 0.231 1.00 61.43 H new ATOM 241 N SER A 16 -5.870 -9.059 -3.674 1.00 74.34 N ATOM 242 CA SER A 16 -6.095 -9.072 -5.141 1.00 74.24 C ATOM 243 C SER A 16 -7.484 -8.524 -5.501 1.00 50.45 C ATOM 244 O SER A 16 -7.616 -7.743 -6.444 1.00 34.41 O ATOM 245 CB SER A 16 -5.930 -10.504 -5.706 1.00 12.11 C ATOM 246 OG SER A 16 -6.149 -10.561 -7.107 1.00 74.50 O ATOM 0 H SER A 16 -5.712 -9.985 -3.277 1.00 74.34 H new ATOM 0 HA SER A 16 -5.345 -8.423 -5.593 1.00 74.24 H new ATOM 0 HB2 SER A 16 -4.927 -10.866 -5.483 1.00 12.11 H new ATOM 0 HB3 SER A 16 -6.629 -11.173 -5.204 1.00 12.11 H new ATOM 0 HG SER A 16 -6.033 -11.483 -7.419 1.00 74.50 H new ATOM 252 N SER A 17 -8.497 -8.914 -4.712 1.00 71.13 N ATOM 253 CA SER A 17 -9.898 -8.535 -4.943 1.00 40.14 C ATOM 254 C SER A 17 -10.062 -7.011 -4.800 1.00 31.24 C ATOM 255 O SER A 17 -10.537 -6.337 -5.716 1.00 60.55 O ATOM 256 CB SER A 17 -10.811 -9.272 -3.937 1.00 32.34 C ATOM 257 OG SER A 17 -10.653 -10.686 -4.022 1.00 11.32 O ATOM 0 H SER A 17 -8.365 -9.505 -3.891 1.00 71.13 H new ATOM 0 HA SER A 17 -10.185 -8.822 -5.955 1.00 40.14 H new ATOM 0 HB2 SER A 17 -10.580 -8.940 -2.925 1.00 32.34 H new ATOM 0 HB3 SER A 17 -11.851 -9.010 -4.129 1.00 32.34 H new ATOM 0 HG SER A 17 -9.763 -10.936 -3.697 1.00 11.32 H new ATOM 263 N VAL A 18 -9.592 -6.489 -3.657 1.00 34.43 N ATOM 264 CA VAL A 18 -9.641 -5.054 -3.331 1.00 44.02 C ATOM 265 C VAL A 18 -8.825 -4.222 -4.334 1.00 21.41 C ATOM 266 O VAL A 18 -9.270 -3.161 -4.774 1.00 30.32 O ATOM 267 CB VAL A 18 -9.107 -4.817 -1.877 1.00 74.43 C ATOM 268 CG1 VAL A 18 -8.988 -3.312 -1.545 1.00 64.41 C ATOM 269 CG2 VAL A 18 -9.992 -5.559 -0.852 1.00 54.13 C ATOM 0 H VAL A 18 -9.163 -7.056 -2.926 1.00 34.43 H new ATOM 0 HA VAL A 18 -10.680 -4.730 -3.393 1.00 44.02 H new ATOM 0 HB VAL A 18 -8.099 -5.229 -1.818 1.00 74.43 H new ATOM 0 HG11 VAL A 18 -8.614 -3.192 -0.528 1.00 64.41 H new ATOM 0 HG12 VAL A 18 -8.298 -2.839 -2.243 1.00 64.41 H new ATOM 0 HG13 VAL A 18 -9.968 -2.842 -1.629 1.00 64.41 H new ATOM 0 HG21 VAL A 18 -9.608 -5.385 0.153 1.00 54.13 H new ATOM 0 HG22 VAL A 18 -11.015 -5.189 -0.919 1.00 54.13 H new ATOM 0 HG23 VAL A 18 -9.978 -6.628 -1.066 1.00 54.13 H new ATOM 279 N GLN A 19 -7.643 -4.742 -4.686 1.00 52.55 N ATOM 280 CA GLN A 19 -6.702 -4.095 -5.615 1.00 33.50 C ATOM 281 C GLN A 19 -7.340 -3.934 -7.001 1.00 44.44 C ATOM 282 O GLN A 19 -7.243 -2.865 -7.614 1.00 61.23 O ATOM 283 CB GLN A 19 -5.407 -4.934 -5.700 1.00 15.35 C ATOM 284 CG GLN A 19 -4.314 -4.379 -6.621 1.00 22.24 C ATOM 285 CD GLN A 19 -3.078 -5.281 -6.707 1.00 63.25 C ATOM 286 OE1 GLN A 19 -2.452 -5.374 -7.762 1.00 1.43 O ATOM 287 NE2 GLN A 19 -2.682 -5.908 -5.596 1.00 75.43 N ATOM 0 H GLN A 19 -7.306 -5.637 -4.330 1.00 52.55 H new ATOM 0 HA GLN A 19 -6.456 -3.100 -5.244 1.00 33.50 H new ATOM 0 HB2 GLN A 19 -4.994 -5.034 -4.696 1.00 15.35 H new ATOM 0 HB3 GLN A 19 -5.667 -5.937 -6.039 1.00 15.35 H new ATOM 0 HG2 GLN A 19 -4.726 -4.243 -7.621 1.00 22.24 H new ATOM 0 HG3 GLN A 19 -4.013 -3.394 -6.263 1.00 22.24 H new ATOM 0 HE21 GLN A 19 -3.222 -5.812 -4.736 1.00 75.43 H new ATOM 0 HE22 GLN A 19 -1.840 -6.483 -5.608 1.00 75.43 H new ATOM 296 N GLU A 20 -8.018 -5.001 -7.465 1.00 44.34 N ATOM 297 CA GLU A 20 -8.777 -4.978 -8.724 1.00 42.24 C ATOM 298 C GLU A 20 -9.888 -3.917 -8.661 1.00 33.22 C ATOM 299 O GLU A 20 -9.934 -3.014 -9.492 1.00 23.13 O ATOM 300 CB GLU A 20 -9.381 -6.372 -9.043 1.00 73.45 C ATOM 301 CG GLU A 20 -8.355 -7.430 -9.488 1.00 10.43 C ATOM 302 CD GLU A 20 -7.573 -7.035 -10.752 1.00 62.04 C ATOM 303 OE1 GLU A 20 -8.192 -6.913 -11.830 1.00 41.53 O ATOM 304 OE2 GLU A 20 -6.338 -6.869 -10.683 1.00 54.10 O ATOM 0 H GLU A 20 -8.053 -5.897 -6.979 1.00 44.34 H new ATOM 0 HA GLU A 20 -8.086 -4.719 -9.526 1.00 42.24 H new ATOM 0 HB2 GLU A 20 -9.901 -6.739 -8.158 1.00 73.45 H new ATOM 0 HB3 GLU A 20 -10.129 -6.258 -9.828 1.00 73.45 H new ATOM 0 HG2 GLU A 20 -7.651 -7.606 -8.675 1.00 10.43 H new ATOM 0 HG3 GLU A 20 -8.872 -8.372 -9.670 1.00 10.43 H new ATOM 311 N ARG A 21 -10.733 -3.997 -7.622 1.00 35.23 N ATOM 312 CA ARG A 21 -11.906 -3.109 -7.469 1.00 72.32 C ATOM 313 C ARG A 21 -11.483 -1.632 -7.348 1.00 63.14 C ATOM 314 O ARG A 21 -12.183 -0.742 -7.829 1.00 23.51 O ATOM 315 CB ARG A 21 -12.755 -3.540 -6.244 1.00 11.52 C ATOM 316 CG ARG A 21 -13.279 -4.994 -6.307 1.00 24.53 C ATOM 317 CD ARG A 21 -14.142 -5.291 -7.553 1.00 72.00 C ATOM 318 NE ARG A 21 -14.498 -6.716 -7.660 1.00 11.14 N ATOM 319 CZ ARG A 21 -15.184 -7.273 -8.673 1.00 23.30 C ATOM 320 NH1 ARG A 21 -15.614 -6.541 -9.705 1.00 33.35 N ATOM 321 NH2 ARG A 21 -15.429 -8.569 -8.647 1.00 3.35 N ATOM 0 H ARG A 21 -10.628 -4.673 -6.866 1.00 35.23 H new ATOM 0 HA ARG A 21 -12.517 -3.203 -8.367 1.00 72.32 H new ATOM 0 HB2 ARG A 21 -12.154 -3.422 -5.342 1.00 11.52 H new ATOM 0 HB3 ARG A 21 -13.605 -2.864 -6.151 1.00 11.52 H new ATOM 0 HG2 ARG A 21 -12.430 -5.677 -6.293 1.00 24.53 H new ATOM 0 HG3 ARG A 21 -13.867 -5.198 -5.412 1.00 24.53 H new ATOM 0 HD2 ARG A 21 -15.053 -4.693 -7.512 1.00 72.00 H new ATOM 0 HD3 ARG A 21 -13.600 -4.986 -8.448 1.00 72.00 H new ATOM 0 HE ARG A 21 -14.199 -7.331 -6.903 1.00 11.14 H new ATOM 0 HH11 ARG A 21 -15.423 -5.539 -9.734 1.00 33.35 H new ATOM 0 HH12 ARG A 21 -16.133 -6.984 -10.463 1.00 33.35 H new ATOM 0 HH21 ARG A 21 -15.099 -9.135 -7.865 1.00 3.35 H new ATOM 0 HH22 ARG A 21 -15.948 -9.005 -9.409 1.00 3.35 H new ATOM 335 N ALA A 22 -10.311 -1.406 -6.744 1.00 53.20 N ATOM 336 CA ALA A 22 -9.753 -0.060 -6.554 1.00 44.10 C ATOM 337 C ALA A 22 -9.219 0.501 -7.886 1.00 72.32 C ATOM 338 O ALA A 22 -9.485 1.641 -8.228 1.00 70.01 O ATOM 339 CB ALA A 22 -8.645 -0.087 -5.489 1.00 33.40 C ATOM 0 H ALA A 22 -9.721 -2.151 -6.372 1.00 53.20 H new ATOM 0 HA ALA A 22 -10.549 0.599 -6.206 1.00 44.10 H new ATOM 0 HB1 ALA A 22 -8.241 0.917 -5.359 1.00 33.40 H new ATOM 0 HB2 ALA A 22 -9.058 -0.437 -4.543 1.00 33.40 H new ATOM 0 HB3 ALA A 22 -7.849 -0.760 -5.809 1.00 33.40 H new ATOM 345 N LYS A 23 -8.478 -0.329 -8.632 1.00 41.12 N ATOM 346 CA LYS A 23 -7.857 0.072 -9.915 1.00 12.44 C ATOM 347 C LYS A 23 -8.883 0.160 -11.065 1.00 42.33 C ATOM 348 O LYS A 23 -8.668 0.895 -12.035 1.00 61.43 O ATOM 349 CB LYS A 23 -6.715 -0.916 -10.277 1.00 43.13 C ATOM 350 CG LYS A 23 -5.473 -0.811 -9.358 1.00 74.42 C ATOM 351 CD LYS A 23 -4.351 -1.823 -9.707 1.00 1.14 C ATOM 352 CE LYS A 23 -3.917 -1.770 -11.184 1.00 51.43 C ATOM 353 NZ LYS A 23 -3.601 -0.387 -11.639 1.00 31.22 N ATOM 0 H LYS A 23 -8.289 -1.296 -8.370 1.00 41.12 H new ATOM 0 HA LYS A 23 -7.446 1.073 -9.784 1.00 12.44 H new ATOM 0 HB2 LYS A 23 -7.102 -1.934 -10.232 1.00 43.13 H new ATOM 0 HB3 LYS A 23 -6.407 -0.737 -11.307 1.00 43.13 H new ATOM 0 HG2 LYS A 23 -5.070 0.200 -9.421 1.00 74.42 H new ATOM 0 HG3 LYS A 23 -5.783 -0.967 -8.325 1.00 74.42 H new ATOM 0 HD2 LYS A 23 -3.485 -1.627 -9.074 1.00 1.14 H new ATOM 0 HD3 LYS A 23 -4.695 -2.830 -9.473 1.00 1.14 H new ATOM 0 HE2 LYS A 23 -3.041 -2.404 -11.324 1.00 51.43 H new ATOM 0 HE3 LYS A 23 -4.711 -2.181 -11.807 1.00 51.43 H new ATOM 0 HZ1 LYS A 23 -3.187 -0.421 -12.592 1.00 31.22 H new ATOM 0 HZ2 LYS A 23 -4.473 0.179 -11.661 1.00 31.22 H new ATOM 0 HZ3 LYS A 23 -2.922 0.048 -10.982 1.00 31.22 H new ATOM 367 N HIS A 24 -9.979 -0.601 -10.960 1.00 3.15 N ATOM 368 CA HIS A 24 -11.021 -0.650 -12.005 1.00 30.25 C ATOM 369 C HIS A 24 -12.064 0.452 -11.783 1.00 51.22 C ATOM 370 O HIS A 24 -12.610 0.999 -12.750 1.00 71.44 O ATOM 371 CB HIS A 24 -11.690 -2.049 -12.062 1.00 22.43 C ATOM 372 CG HIS A 24 -10.805 -3.136 -12.643 1.00 34.34 C ATOM 373 ND1 HIS A 24 -11.246 -4.050 -13.573 1.00 15.24 N ATOM 374 CD2 HIS A 24 -9.508 -3.460 -12.402 1.00 22.11 C ATOM 375 CE1 HIS A 24 -10.269 -4.879 -13.874 1.00 1.23 C ATOM 376 NE2 HIS A 24 -9.205 -4.550 -13.176 1.00 44.43 N ATOM 0 H HIS A 24 -10.172 -1.198 -10.156 1.00 3.15 H new ATOM 0 HA HIS A 24 -10.542 -0.473 -12.968 1.00 30.25 H new ATOM 0 HB2 HIS A 24 -11.988 -2.338 -11.054 1.00 22.43 H new ATOM 0 HB3 HIS A 24 -12.601 -1.980 -12.657 1.00 22.43 H new ATOM 0 HD2 HIS A 24 -8.838 -2.952 -11.724 1.00 22.11 H new ATOM 0 HE1 HIS A 24 -10.331 -5.695 -14.579 1.00 1.23 H new ATOM 0 HE2 HIS A 24 -8.304 -5.027 -13.205 1.00 44.43 H new ATOM 385 N ASN A 25 -12.358 0.764 -10.500 1.00 24.55 N ATOM 386 CA ASN A 25 -13.301 1.852 -10.145 1.00 13.41 C ATOM 387 C ASN A 25 -12.581 3.211 -10.170 1.00 1.41 C ATOM 388 O ASN A 25 -13.210 4.256 -10.383 1.00 61.44 O ATOM 389 CB ASN A 25 -13.957 1.602 -8.756 1.00 41.54 C ATOM 390 CG ASN A 25 -15.141 2.530 -8.417 1.00 31.20 C ATOM 391 OD1 ASN A 25 -15.364 2.863 -7.251 1.00 62.03 O ATOM 392 ND2 ASN A 25 -15.937 2.912 -9.413 1.00 52.42 N ATOM 0 H ASN A 25 -11.958 0.281 -9.696 1.00 24.55 H new ATOM 0 HA ASN A 25 -14.098 1.865 -10.889 1.00 13.41 H new ATOM 0 HB2 ASN A 25 -14.302 0.569 -8.715 1.00 41.54 H new ATOM 0 HB3 ASN A 25 -13.194 1.715 -7.985 1.00 41.54 H new ATOM 0 HD21 ASN A 25 -16.753 3.493 -9.220 1.00 52.42 H new ATOM 0 HD22 ASN A 25 -15.731 2.624 -10.370 1.00 52.42 H new ATOM 399 N TYR A 26 -11.246 3.192 -9.952 1.00 25.42 N ATOM 400 CA TYR A 26 -10.403 4.405 -9.943 1.00 64.11 C ATOM 401 C TYR A 26 -9.183 4.195 -10.877 1.00 60.20 C ATOM 402 O TYR A 26 -8.057 3.972 -10.404 1.00 52.02 O ATOM 403 CB TYR A 26 -9.952 4.742 -8.483 1.00 72.41 C ATOM 404 CG TYR A 26 -11.088 4.690 -7.443 1.00 24.33 C ATOM 405 CD1 TYR A 26 -12.119 5.628 -7.464 1.00 54.12 C ATOM 406 CD2 TYR A 26 -11.162 3.669 -6.487 1.00 24.23 C ATOM 407 CE1 TYR A 26 -13.176 5.552 -6.587 1.00 12.24 C ATOM 408 CE2 TYR A 26 -12.217 3.599 -5.597 1.00 23.32 C ATOM 409 CZ TYR A 26 -13.220 4.543 -5.655 1.00 60.10 C ATOM 410 OH TYR A 26 -14.286 4.457 -4.796 1.00 42.41 O ATOM 0 H TYR A 26 -10.724 2.333 -9.777 1.00 25.42 H new ATOM 0 HA TYR A 26 -10.979 5.252 -10.314 1.00 64.11 H new ATOM 0 HB2 TYR A 26 -9.170 4.043 -8.186 1.00 72.41 H new ATOM 0 HB3 TYR A 26 -9.510 5.738 -8.472 1.00 72.41 H new ATOM 0 HD1 TYR A 26 -12.087 6.432 -8.185 1.00 54.12 H new ATOM 0 HD2 TYR A 26 -10.381 2.924 -6.445 1.00 24.23 H new ATOM 0 HE1 TYR A 26 -13.969 6.283 -6.631 1.00 12.24 H new ATOM 0 HE2 TYR A 26 -12.255 2.810 -4.861 1.00 23.32 H new ATOM 0 HH TYR A 26 -15.018 3.973 -5.231 1.00 42.41 H new ATOM 420 N PRO A 27 -9.392 4.217 -12.240 1.00 24.54 N ATOM 421 CA PRO A 27 -8.293 4.006 -13.219 1.00 2.03 C ATOM 422 C PRO A 27 -7.295 5.189 -13.281 1.00 72.33 C ATOM 423 O PRO A 27 -6.114 5.004 -13.611 1.00 63.23 O ATOM 424 CB PRO A 27 -9.049 3.808 -14.557 1.00 71.41 C ATOM 425 CG PRO A 27 -10.339 4.547 -14.389 1.00 30.11 C ATOM 426 CD PRO A 27 -10.703 4.425 -12.925 1.00 3.01 C ATOM 0 HA PRO A 27 -7.659 3.160 -12.952 1.00 2.03 H new ATOM 0 HB2 PRO A 27 -8.475 4.202 -15.396 1.00 71.41 H new ATOM 0 HB3 PRO A 27 -9.223 2.751 -14.759 1.00 71.41 H new ATOM 0 HG2 PRO A 27 -10.230 5.592 -14.678 1.00 30.11 H new ATOM 0 HG3 PRO A 27 -11.118 4.121 -15.021 1.00 30.11 H new ATOM 0 HD2 PRO A 27 -11.204 5.323 -12.563 1.00 3.01 H new ATOM 0 HD3 PRO A 27 -11.381 3.589 -12.751 1.00 3.01 H new ATOM 434 N GLY A 28 -7.779 6.398 -12.920 1.00 20.33 N ATOM 435 CA GLY A 28 -6.968 7.624 -12.934 1.00 4.53 C ATOM 436 C GLY A 28 -6.325 7.929 -11.581 1.00 70.45 C ATOM 437 O GLY A 28 -5.999 9.089 -11.294 1.00 24.35 O ATOM 0 H GLY A 28 -8.740 6.546 -12.613 1.00 20.33 H new ATOM 0 HA2 GLY A 28 -6.187 7.528 -13.688 1.00 4.53 H new ATOM 0 HA3 GLY A 28 -7.595 8.465 -13.230 1.00 4.53 H new ATOM 441 N ARG A 29 -6.146 6.890 -10.741 1.00 61.34 N ATOM 442 CA ARG A 29 -5.519 7.020 -9.410 1.00 50.04 C ATOM 443 C ARG A 29 -4.173 6.300 -9.352 1.00 31.13 C ATOM 444 O ARG A 29 -4.013 5.210 -9.920 1.00 63.45 O ATOM 445 CB ARG A 29 -6.461 6.489 -8.292 1.00 65.24 C ATOM 446 CG ARG A 29 -7.657 7.415 -8.006 1.00 72.14 C ATOM 447 CD ARG A 29 -7.224 8.765 -7.417 1.00 11.40 C ATOM 448 NE ARG A 29 -8.343 9.700 -7.285 1.00 40.51 N ATOM 449 CZ ARG A 29 -8.219 11.018 -7.072 1.00 15.32 C ATOM 450 NH1 ARG A 29 -7.011 11.589 -6.955 1.00 11.11 N ATOM 451 NH2 ARG A 29 -9.307 11.760 -7.006 1.00 1.24 N ATOM 0 H ARG A 29 -6.432 5.937 -10.966 1.00 61.34 H new ATOM 0 HA ARG A 29 -5.343 8.082 -9.240 1.00 50.04 H new ATOM 0 HB2 ARG A 29 -6.833 5.505 -8.578 1.00 65.24 H new ATOM 0 HB3 ARG A 29 -5.886 6.358 -7.375 1.00 65.24 H new ATOM 0 HG2 ARG A 29 -8.210 7.585 -8.930 1.00 72.14 H new ATOM 0 HG3 ARG A 29 -8.338 6.921 -7.313 1.00 72.14 H new ATOM 0 HD2 ARG A 29 -6.772 8.603 -6.439 1.00 11.40 H new ATOM 0 HD3 ARG A 29 -6.458 9.207 -8.053 1.00 11.40 H new ATOM 0 HE ARG A 29 -9.287 9.321 -7.361 1.00 40.51 H new ATOM 0 HH11 ARG A 29 -6.168 11.019 -7.028 1.00 11.11 H new ATOM 0 HH12 ARG A 29 -6.935 12.593 -6.793 1.00 11.11 H new ATOM 0 HH21 ARG A 29 -10.225 11.330 -7.116 1.00 1.24 H new ATOM 0 HH22 ARG A 29 -9.230 12.764 -6.845 1.00 1.24 H new ATOM 465 N GLU A 30 -3.223 6.929 -8.645 1.00 42.51 N ATOM 466 CA GLU A 30 -1.895 6.379 -8.406 1.00 13.24 C ATOM 467 C GLU A 30 -1.958 5.346 -7.271 1.00 53.15 C ATOM 468 O GLU A 30 -1.987 5.694 -6.085 1.00 62.42 O ATOM 469 CB GLU A 30 -0.897 7.534 -8.104 1.00 61.21 C ATOM 470 CG GLU A 30 -0.644 8.470 -9.298 1.00 12.31 C ATOM 471 CD GLU A 30 -0.077 7.724 -10.524 1.00 23.15 C ATOM 472 OE1 GLU A 30 1.104 7.316 -10.489 1.00 34.00 O ATOM 473 OE2 GLU A 30 -0.804 7.546 -11.525 1.00 33.52 O ATOM 0 H GLU A 30 -3.364 7.846 -8.221 1.00 42.51 H new ATOM 0 HA GLU A 30 -1.535 5.862 -9.295 1.00 13.24 H new ATOM 0 HB2 GLU A 30 -1.279 8.122 -7.269 1.00 61.21 H new ATOM 0 HB3 GLU A 30 0.053 7.105 -7.784 1.00 61.21 H new ATOM 0 HG2 GLU A 30 -1.577 8.961 -9.575 1.00 12.31 H new ATOM 0 HG3 GLU A 30 0.052 9.254 -9.000 1.00 12.31 H new ATOM 480 N ILE A 31 -2.055 4.072 -7.669 1.00 72.22 N ATOM 481 CA ILE A 31 -2.047 2.910 -6.760 1.00 14.22 C ATOM 482 C ILE A 31 -0.746 2.114 -6.996 1.00 60.45 C ATOM 483 O ILE A 31 -0.186 2.137 -8.104 1.00 1.15 O ATOM 484 CB ILE A 31 -3.337 2.013 -7.009 1.00 5.45 C ATOM 485 CG1 ILE A 31 -4.639 2.834 -6.682 1.00 13.41 C ATOM 486 CG2 ILE A 31 -3.305 0.687 -6.204 1.00 65.20 C ATOM 487 CD1 ILE A 31 -5.954 2.112 -6.947 1.00 65.53 C ATOM 0 H ILE A 31 -2.143 3.810 -8.651 1.00 72.22 H new ATOM 0 HA ILE A 31 -2.077 3.238 -5.721 1.00 14.22 H new ATOM 0 HB ILE A 31 -3.342 1.737 -8.064 1.00 5.45 H new ATOM 0 HG12 ILE A 31 -4.610 3.125 -5.632 1.00 13.41 H new ATOM 0 HG13 ILE A 31 -4.625 3.753 -7.268 1.00 13.41 H new ATOM 0 HG21 ILE A 31 -4.209 0.114 -6.411 1.00 65.20 H new ATOM 0 HG22 ILE A 31 -2.431 0.105 -6.496 1.00 65.20 H new ATOM 0 HG23 ILE A 31 -3.253 0.910 -5.138 1.00 65.20 H new ATOM 0 HD11 ILE A 31 -6.787 2.766 -6.688 1.00 65.53 H new ATOM 0 HD12 ILE A 31 -6.016 1.845 -8.002 1.00 65.53 H new ATOM 0 HD13 ILE A 31 -6.001 1.208 -6.341 1.00 65.53 H new ATOM 499 N ARG A 32 -0.244 1.441 -5.953 1.00 42.13 N ATOM 500 CA ARG A 32 0.951 0.583 -6.023 1.00 75.01 C ATOM 501 C ARG A 32 0.652 -0.828 -5.525 1.00 3.34 C ATOM 502 O ARG A 32 -0.345 -1.077 -4.840 1.00 55.45 O ATOM 503 CB ARG A 32 2.109 1.200 -5.190 1.00 12.22 C ATOM 504 CG ARG A 32 2.886 2.318 -5.900 1.00 12.45 C ATOM 505 CD ARG A 32 3.642 1.815 -7.143 1.00 72.51 C ATOM 506 NE ARG A 32 4.591 2.814 -7.656 1.00 2.11 N ATOM 507 CZ ARG A 32 5.844 2.558 -8.070 1.00 23.24 C ATOM 508 NH1 ARG A 32 6.342 1.322 -8.038 1.00 12.12 N ATOM 509 NH2 ARG A 32 6.608 3.551 -8.502 1.00 13.23 N ATOM 0 H ARG A 32 -0.661 1.476 -5.023 1.00 42.13 H new ATOM 0 HA ARG A 32 1.252 0.520 -7.069 1.00 75.01 H new ATOM 0 HB2 ARG A 32 1.699 1.595 -4.260 1.00 12.22 H new ATOM 0 HB3 ARG A 32 2.806 0.407 -4.919 1.00 12.22 H new ATOM 0 HG2 ARG A 32 2.193 3.106 -6.195 1.00 12.45 H new ATOM 0 HG3 ARG A 32 3.596 2.762 -5.202 1.00 12.45 H new ATOM 0 HD2 ARG A 32 4.179 0.900 -6.894 1.00 72.51 H new ATOM 0 HD3 ARG A 32 2.926 1.562 -7.924 1.00 72.51 H new ATOM 0 HE ARG A 32 4.272 3.782 -7.702 1.00 2.11 H new ATOM 0 HH11 ARG A 32 5.770 0.550 -7.695 1.00 12.12 H new ATOM 0 HH12 ARG A 32 7.295 1.148 -8.357 1.00 12.12 H new ATOM 0 HH21 ARG A 32 6.244 4.504 -8.519 1.00 13.23 H new ATOM 0 HH22 ARG A 32 7.560 3.362 -8.817 1.00 13.23 H new ATOM 523 N THR A 33 1.564 -1.739 -5.874 1.00 52.40 N ATOM 524 CA THR A 33 1.547 -3.125 -5.429 1.00 54.31 C ATOM 525 C THR A 33 2.988 -3.550 -5.129 1.00 42.22 C ATOM 526 O THR A 33 3.827 -3.588 -6.031 1.00 64.33 O ATOM 527 CB THR A 33 0.927 -4.065 -6.516 1.00 12.00 C ATOM 528 OG1 THR A 33 -0.361 -3.567 -6.908 1.00 34.33 O ATOM 529 CG2 THR A 33 0.789 -5.512 -6.009 1.00 44.52 C ATOM 0 H THR A 33 2.350 -1.524 -6.487 1.00 52.40 H new ATOM 0 HA THR A 33 0.929 -3.207 -4.535 1.00 54.31 H new ATOM 0 HB THR A 33 1.601 -4.074 -7.373 1.00 12.00 H new ATOM 0 HG1 THR A 33 -0.888 -4.295 -7.300 1.00 34.33 H new ATOM 0 HG21 THR A 33 0.355 -6.132 -6.793 1.00 44.52 H new ATOM 0 HG22 THR A 33 1.772 -5.899 -5.742 1.00 44.52 H new ATOM 0 HG23 THR A 33 0.142 -5.530 -5.132 1.00 44.52 H new ATOM 537 N ALA A 34 3.286 -3.819 -3.860 1.00 40.31 N ATOM 538 CA ALA A 34 4.581 -4.352 -3.454 1.00 32.22 C ATOM 539 C ALA A 34 4.522 -5.884 -3.432 1.00 33.31 C ATOM 540 O ALA A 34 3.814 -6.480 -2.621 1.00 12.52 O ATOM 541 CB ALA A 34 4.986 -3.786 -2.100 1.00 11.21 C ATOM 0 H ALA A 34 2.637 -3.673 -3.087 1.00 40.31 H new ATOM 0 HA ALA A 34 5.342 -4.050 -4.174 1.00 32.22 H new ATOM 0 HB1 ALA A 34 5.955 -4.193 -1.810 1.00 11.21 H new ATOM 0 HB2 ALA A 34 5.054 -2.700 -2.165 1.00 11.21 H new ATOM 0 HB3 ALA A 34 4.240 -4.059 -1.354 1.00 11.21 H new ATOM 547 N THR A 35 5.228 -6.507 -4.370 1.00 74.31 N ATOM 548 CA THR A 35 5.344 -7.967 -4.459 1.00 44.31 C ATOM 549 C THR A 35 6.635 -8.421 -3.734 1.00 0.13 C ATOM 550 O THR A 35 6.707 -9.521 -3.165 1.00 12.25 O ATOM 551 CB THR A 35 5.373 -8.406 -5.964 1.00 53.43 C ATOM 552 OG1 THR A 35 4.320 -7.737 -6.683 1.00 13.02 O ATOM 553 CG2 THR A 35 5.210 -9.930 -6.137 1.00 33.01 C ATOM 0 H THR A 35 5.742 -6.012 -5.099 1.00 74.31 H new ATOM 0 HA THR A 35 4.485 -8.436 -3.980 1.00 44.31 H new ATOM 0 HB THR A 35 6.349 -8.128 -6.361 1.00 53.43 H new ATOM 0 HG1 THR A 35 4.341 -8.011 -7.624 1.00 13.02 H new ATOM 0 HG21 THR A 35 5.237 -10.181 -7.197 1.00 33.01 H new ATOM 0 HG22 THR A 35 6.022 -10.444 -5.622 1.00 33.01 H new ATOM 0 HG23 THR A 35 4.256 -10.244 -5.714 1.00 33.01 H new ATOM 561 N SER A 36 7.640 -7.525 -3.736 1.00 31.11 N ATOM 562 CA SER A 36 8.997 -7.796 -3.243 1.00 14.55 C ATOM 563 C SER A 36 9.661 -6.508 -2.689 1.00 2.20 C ATOM 564 O SER A 36 9.026 -5.446 -2.605 1.00 51.22 O ATOM 565 CB SER A 36 9.846 -8.400 -4.396 1.00 22.01 C ATOM 566 OG SER A 36 9.311 -9.639 -4.844 1.00 41.32 O ATOM 0 H SER A 36 7.526 -6.575 -4.088 1.00 31.11 H new ATOM 0 HA SER A 36 8.939 -8.510 -2.421 1.00 14.55 H new ATOM 0 HB2 SER A 36 9.884 -7.697 -5.228 1.00 22.01 H new ATOM 0 HB3 SER A 36 10.871 -8.547 -4.056 1.00 22.01 H new ATOM 0 HG SER A 36 9.867 -9.992 -5.570 1.00 41.32 H new ATOM 572 N SER A 37 10.951 -6.638 -2.323 1.00 40.04 N ATOM 573 CA SER A 37 11.770 -5.560 -1.751 1.00 33.51 C ATOM 574 C SER A 37 12.035 -4.438 -2.772 1.00 23.50 C ATOM 575 O SER A 37 12.094 -3.255 -2.411 1.00 65.11 O ATOM 576 CB SER A 37 13.113 -6.152 -1.279 1.00 45.13 C ATOM 577 OG SER A 37 13.817 -6.776 -2.348 1.00 33.13 O ATOM 0 H SER A 37 11.461 -7.516 -2.420 1.00 40.04 H new ATOM 0 HA SER A 37 11.225 -5.124 -0.914 1.00 33.51 H new ATOM 0 HB2 SER A 37 13.729 -5.361 -0.850 1.00 45.13 H new ATOM 0 HB3 SER A 37 12.932 -6.880 -0.488 1.00 45.13 H new ATOM 0 HG SER A 37 14.664 -7.139 -2.014 1.00 33.13 H new ATOM 583 N GLN A 38 12.214 -4.838 -4.050 1.00 71.42 N ATOM 584 CA GLN A 38 12.484 -3.912 -5.171 1.00 30.20 C ATOM 585 C GLN A 38 11.336 -2.907 -5.342 1.00 74.01 C ATOM 586 O GLN A 38 11.575 -1.722 -5.630 1.00 11.00 O ATOM 587 CB GLN A 38 12.715 -4.702 -6.489 1.00 11.15 C ATOM 588 CG GLN A 38 13.043 -3.838 -7.728 1.00 30.25 C ATOM 589 CD GLN A 38 14.301 -2.972 -7.564 1.00 70.13 C ATOM 590 OE1 GLN A 38 15.411 -3.413 -7.854 1.00 44.24 O ATOM 591 NE2 GLN A 38 14.130 -1.729 -7.129 1.00 42.54 N ATOM 0 H GLN A 38 12.175 -5.817 -4.334 1.00 71.42 H new ATOM 0 HA GLN A 38 13.391 -3.355 -4.937 1.00 30.20 H new ATOM 0 HB2 GLN A 38 13.531 -5.407 -6.332 1.00 11.15 H new ATOM 0 HB3 GLN A 38 11.822 -5.290 -6.702 1.00 11.15 H new ATOM 0 HG2 GLN A 38 13.173 -4.491 -8.591 1.00 30.25 H new ATOM 0 HG3 GLN A 38 12.193 -3.191 -7.943 1.00 30.25 H new ATOM 0 HE21 GLN A 38 13.195 -1.394 -6.897 1.00 42.54 H new ATOM 0 HE22 GLN A 38 14.934 -1.109 -7.027 1.00 42.54 H new ATOM 600 N ASP A 39 10.100 -3.390 -5.138 1.00 60.04 N ATOM 601 CA ASP A 39 8.904 -2.544 -5.153 1.00 64.32 C ATOM 602 C ASP A 39 9.006 -1.473 -4.054 1.00 33.44 C ATOM 603 O ASP A 39 8.937 -0.291 -4.349 1.00 41.40 O ATOM 604 CB ASP A 39 7.635 -3.389 -4.947 1.00 72.44 C ATOM 605 CG ASP A 39 7.428 -4.478 -6.015 1.00 22.24 C ATOM 606 OD1 ASP A 39 7.978 -5.588 -5.862 1.00 11.01 O ATOM 607 OD2 ASP A 39 6.697 -4.244 -6.997 1.00 12.12 O ATOM 0 H ASP A 39 9.906 -4.375 -4.959 1.00 60.04 H new ATOM 0 HA ASP A 39 8.839 -2.057 -6.126 1.00 64.32 H new ATOM 0 HB2 ASP A 39 7.681 -3.861 -3.966 1.00 72.44 H new ATOM 0 HB3 ASP A 39 6.768 -2.729 -4.943 1.00 72.44 H new ATOM 612 N ILE A 40 9.246 -1.922 -2.802 1.00 23.12 N ATOM 613 CA ILE A 40 9.397 -1.044 -1.609 1.00 41.10 C ATOM 614 C ILE A 40 10.376 0.131 -1.884 1.00 23.40 C ATOM 615 O ILE A 40 10.068 1.301 -1.615 1.00 20.22 O ATOM 616 CB ILE A 40 9.913 -1.888 -0.380 1.00 61.32 C ATOM 617 CG1 ILE A 40 8.923 -3.051 -0.029 1.00 1.30 C ATOM 618 CG2 ILE A 40 10.203 -1.005 0.854 1.00 71.22 C ATOM 619 CD1 ILE A 40 7.506 -2.634 0.360 1.00 72.15 C ATOM 0 H ILE A 40 9.342 -2.914 -2.584 1.00 23.12 H new ATOM 0 HA ILE A 40 8.418 -0.622 -1.381 1.00 41.10 H new ATOM 0 HB ILE A 40 10.861 -2.336 -0.680 1.00 61.32 H new ATOM 0 HG12 ILE A 40 8.860 -3.719 -0.888 1.00 1.30 H new ATOM 0 HG13 ILE A 40 9.349 -3.627 0.792 1.00 1.30 H new ATOM 0 HG21 ILE A 40 10.556 -1.630 1.674 1.00 71.22 H new ATOM 0 HG22 ILE A 40 10.968 -0.270 0.604 1.00 71.22 H new ATOM 0 HG23 ILE A 40 9.291 -0.491 1.156 1.00 71.22 H new ATOM 0 HD11 ILE A 40 6.913 -3.522 0.581 1.00 72.15 H new ATOM 0 HD12 ILE A 40 7.544 -1.995 1.242 1.00 72.15 H new ATOM 0 HD13 ILE A 40 7.048 -2.088 -0.465 1.00 72.15 H new ATOM 631 N ARG A 41 11.523 -0.219 -2.482 1.00 50.11 N ATOM 632 CA ARG A 41 12.585 0.731 -2.854 1.00 32.13 C ATOM 633 C ARG A 41 12.083 1.755 -3.897 1.00 2.44 C ATOM 634 O ARG A 41 12.212 2.972 -3.702 1.00 33.42 O ATOM 635 CB ARG A 41 13.789 -0.073 -3.413 1.00 54.41 C ATOM 636 CG ARG A 41 14.496 -0.976 -2.375 1.00 54.12 C ATOM 637 CD ARG A 41 15.360 -0.184 -1.381 1.00 71.43 C ATOM 638 NE ARG A 41 16.454 0.506 -2.084 1.00 34.52 N ATOM 639 CZ ARG A 41 17.243 1.463 -1.575 1.00 10.34 C ATOM 640 NH1 ARG A 41 17.080 1.897 -0.333 1.00 45.22 N ATOM 641 NH2 ARG A 41 18.195 1.986 -2.322 1.00 15.24 N ATOM 0 H ARG A 41 11.744 -1.185 -2.725 1.00 50.11 H new ATOM 0 HA ARG A 41 12.889 1.295 -1.972 1.00 32.13 H new ATOM 0 HB2 ARG A 41 13.443 -0.694 -4.239 1.00 54.41 H new ATOM 0 HB3 ARG A 41 14.517 0.626 -3.823 1.00 54.41 H new ATOM 0 HG2 ARG A 41 13.746 -1.544 -1.824 1.00 54.12 H new ATOM 0 HG3 ARG A 41 15.123 -1.699 -2.897 1.00 54.12 H new ATOM 0 HD2 ARG A 41 14.743 0.543 -0.853 1.00 71.43 H new ATOM 0 HD3 ARG A 41 15.771 -0.858 -0.630 1.00 71.43 H new ATOM 0 HE ARG A 41 16.628 0.230 -3.050 1.00 34.52 H new ATOM 0 HH11 ARG A 41 16.344 1.502 0.253 1.00 45.22 H new ATOM 0 HH12 ARG A 41 17.690 2.626 0.037 1.00 45.22 H new ATOM 0 HH21 ARG A 41 18.327 1.662 -3.280 1.00 15.24 H new ATOM 0 HH22 ARG A 41 18.799 2.715 -1.942 1.00 15.24 H new ATOM 655 N ASP A 42 11.471 1.231 -4.976 1.00 14.24 N ATOM 656 CA ASP A 42 11.032 2.029 -6.145 1.00 42.41 C ATOM 657 C ASP A 42 9.864 2.974 -5.786 1.00 42.10 C ATOM 658 O ASP A 42 9.788 4.108 -6.280 1.00 14.02 O ATOM 659 CB ASP A 42 10.609 1.081 -7.305 1.00 32.13 C ATOM 660 CG ASP A 42 10.222 1.826 -8.600 1.00 34.43 C ATOM 661 OD1 ASP A 42 11.129 2.313 -9.307 1.00 14.21 O ATOM 662 OD2 ASP A 42 9.018 1.955 -8.902 1.00 23.41 O ATOM 0 H ASP A 42 11.264 0.236 -5.065 1.00 14.24 H new ATOM 0 HA ASP A 42 11.873 2.645 -6.462 1.00 42.41 H new ATOM 0 HB2 ASP A 42 11.429 0.396 -7.521 1.00 32.13 H new ATOM 0 HB3 ASP A 42 9.764 0.474 -6.978 1.00 32.13 H new ATOM 667 N ILE A 43 8.973 2.486 -4.909 1.00 14.10 N ATOM 668 CA ILE A 43 7.756 3.202 -4.484 1.00 61.55 C ATOM 669 C ILE A 43 8.132 4.444 -3.666 1.00 21.51 C ATOM 670 O ILE A 43 7.736 5.553 -4.011 1.00 72.45 O ATOM 671 CB ILE A 43 6.797 2.268 -3.636 1.00 41.21 C ATOM 672 CG1 ILE A 43 6.243 1.096 -4.518 1.00 60.11 C ATOM 673 CG2 ILE A 43 5.635 3.069 -2.990 1.00 20.12 C ATOM 674 CD1 ILE A 43 5.487 0.011 -3.766 1.00 54.54 C ATOM 0 H ILE A 43 9.077 1.572 -4.469 1.00 14.10 H new ATOM 0 HA ILE A 43 7.220 3.508 -5.383 1.00 61.55 H new ATOM 0 HB ILE A 43 7.388 1.842 -2.825 1.00 41.21 H new ATOM 0 HG12 ILE A 43 5.582 1.516 -5.276 1.00 60.11 H new ATOM 0 HG13 ILE A 43 7.078 0.634 -5.044 1.00 60.11 H new ATOM 0 HG21 ILE A 43 5.001 2.392 -2.418 1.00 20.12 H new ATOM 0 HG22 ILE A 43 6.043 3.832 -2.327 1.00 20.12 H new ATOM 0 HG23 ILE A 43 5.044 3.546 -3.771 1.00 20.12 H new ATOM 0 HD11 ILE A 43 5.148 -0.750 -4.469 1.00 54.54 H new ATOM 0 HD12 ILE A 43 6.145 -0.446 -3.027 1.00 54.54 H new ATOM 0 HD13 ILE A 43 4.626 0.450 -3.263 1.00 54.54 H new ATOM 686 N ILE A 44 8.932 4.237 -2.607 1.00 13.12 N ATOM 687 CA ILE A 44 9.316 5.301 -1.657 1.00 32.31 C ATOM 688 C ILE A 44 10.247 6.321 -2.343 1.00 73.04 C ATOM 689 O ILE A 44 10.188 7.528 -2.046 1.00 73.50 O ATOM 690 CB ILE A 44 9.964 4.674 -0.368 1.00 74.51 C ATOM 691 CG1 ILE A 44 8.922 3.722 0.316 1.00 22.24 C ATOM 692 CG2 ILE A 44 10.477 5.759 0.620 1.00 21.10 C ATOM 693 CD1 ILE A 44 9.447 2.939 1.497 1.00 40.23 C ATOM 0 H ILE A 44 9.333 3.326 -2.383 1.00 13.12 H new ATOM 0 HA ILE A 44 8.424 5.841 -1.340 1.00 32.31 H new ATOM 0 HB ILE A 44 10.841 4.099 -0.664 1.00 74.51 H new ATOM 0 HG12 ILE A 44 8.070 4.317 0.645 1.00 22.24 H new ATOM 0 HG13 ILE A 44 8.551 3.019 -0.430 1.00 22.24 H new ATOM 0 HG21 ILE A 44 10.916 5.277 1.494 1.00 21.10 H new ATOM 0 HG22 ILE A 44 11.231 6.373 0.127 1.00 21.10 H new ATOM 0 HG23 ILE A 44 9.644 6.389 0.933 1.00 21.10 H new ATOM 0 HD11 ILE A 44 8.652 2.311 1.900 1.00 40.23 H new ATOM 0 HD12 ILE A 44 10.278 2.311 1.177 1.00 40.23 H new ATOM 0 HD13 ILE A 44 9.790 3.629 2.268 1.00 40.23 H new ATOM 705 N LYS A 45 11.051 5.836 -3.309 1.00 32.31 N ATOM 706 CA LYS A 45 11.859 6.715 -4.170 1.00 64.03 C ATOM 707 C LYS A 45 10.905 7.616 -4.994 1.00 2.14 C ATOM 708 O LYS A 45 11.120 8.819 -5.081 1.00 12.12 O ATOM 709 CB LYS A 45 12.808 5.884 -5.099 1.00 15.20 C ATOM 710 CG LYS A 45 14.105 6.614 -5.583 1.00 60.42 C ATOM 711 CD LYS A 45 13.882 7.832 -6.531 1.00 3.32 C ATOM 712 CE LYS A 45 13.207 7.453 -7.864 1.00 62.30 C ATOM 713 NZ LYS A 45 14.031 6.501 -8.654 1.00 15.45 N ATOM 0 H LYS A 45 11.157 4.842 -3.511 1.00 32.31 H new ATOM 0 HA LYS A 45 12.500 7.342 -3.550 1.00 64.03 H new ATOM 0 HB2 LYS A 45 13.101 4.978 -4.569 1.00 15.20 H new ATOM 0 HB3 LYS A 45 12.242 5.571 -5.976 1.00 15.20 H new ATOM 0 HG2 LYS A 45 14.656 6.955 -4.707 1.00 60.42 H new ATOM 0 HG3 LYS A 45 14.738 5.889 -6.095 1.00 60.42 H new ATOM 0 HD2 LYS A 45 13.269 8.574 -6.020 1.00 3.32 H new ATOM 0 HD3 LYS A 45 14.843 8.302 -6.739 1.00 3.32 H new ATOM 0 HE2 LYS A 45 12.232 7.009 -7.663 1.00 62.30 H new ATOM 0 HE3 LYS A 45 13.032 8.355 -8.451 1.00 62.30 H new ATOM 0 HZ1 LYS A 45 13.574 6.325 -9.571 1.00 15.45 H new ATOM 0 HZ2 LYS A 45 14.976 6.906 -8.810 1.00 15.45 H new ATOM 0 HZ3 LYS A 45 14.120 5.605 -8.134 1.00 15.45 H new ATOM 727 N SER A 46 9.838 7.007 -5.554 1.00 12.32 N ATOM 728 CA SER A 46 8.828 7.711 -6.374 1.00 54.23 C ATOM 729 C SER A 46 8.000 8.703 -5.512 1.00 4.03 C ATOM 730 O SER A 46 7.566 9.753 -6.003 1.00 33.03 O ATOM 731 CB SER A 46 7.901 6.676 -7.064 1.00 55.23 C ATOM 732 OG SER A 46 7.081 7.280 -8.051 1.00 51.44 O ATOM 0 H SER A 46 9.652 6.010 -5.450 1.00 12.32 H new ATOM 0 HA SER A 46 9.344 8.292 -7.139 1.00 54.23 H new ATOM 0 HB2 SER A 46 8.507 5.895 -7.523 1.00 55.23 H new ATOM 0 HB3 SER A 46 7.273 6.194 -6.315 1.00 55.23 H new ATOM 0 HG SER A 46 6.512 6.598 -8.465 1.00 51.44 H new ATOM 738 N MET A 47 7.811 8.359 -4.224 1.00 72.04 N ATOM 739 CA MET A 47 7.096 9.212 -3.242 1.00 34.13 C ATOM 740 C MET A 47 7.866 10.522 -3.009 1.00 14.14 C ATOM 741 O MET A 47 7.270 11.598 -2.924 1.00 2.03 O ATOM 742 CB MET A 47 6.924 8.472 -1.885 1.00 44.34 C ATOM 743 CG MET A 47 6.034 7.224 -1.943 1.00 42.21 C ATOM 744 SD MET A 47 4.315 7.601 -2.320 1.00 10.03 S ATOM 745 CE MET A 47 3.825 8.436 -0.825 1.00 64.33 C ATOM 0 H MET A 47 8.149 7.481 -3.829 1.00 72.04 H new ATOM 0 HA MET A 47 6.111 9.436 -3.652 1.00 34.13 H new ATOM 0 HB2 MET A 47 7.908 8.183 -1.517 1.00 44.34 H new ATOM 0 HB3 MET A 47 6.504 9.167 -1.158 1.00 44.34 H new ATOM 0 HG2 MET A 47 6.424 6.541 -2.698 1.00 42.21 H new ATOM 0 HG3 MET A 47 6.085 6.704 -0.986 1.00 42.21 H new ATOM 0 HE1 MET A 47 2.737 8.482 -0.774 1.00 64.33 H new ATOM 0 HE2 MET A 47 4.206 7.890 0.038 1.00 64.33 H new ATOM 0 HE3 MET A 47 4.231 9.447 -0.823 1.00 64.33 H new ATOM 755 N LYS A 48 9.192 10.397 -2.904 1.00 63.25 N ATOM 756 CA LYS A 48 10.096 11.536 -2.662 1.00 53.43 C ATOM 757 C LYS A 48 10.418 12.328 -3.937 1.00 23.22 C ATOM 758 O LYS A 48 10.484 13.563 -3.907 1.00 30.22 O ATOM 759 CB LYS A 48 11.392 11.007 -2.012 1.00 73.32 C ATOM 760 CG LYS A 48 11.207 10.519 -0.561 1.00 62.02 C ATOM 761 CD LYS A 48 10.786 11.653 0.415 1.00 24.53 C ATOM 762 CE LYS A 48 11.809 12.799 0.459 1.00 61.14 C ATOM 763 NZ LYS A 48 13.165 12.351 0.892 1.00 52.53 N ATOM 0 H LYS A 48 9.675 9.502 -2.984 1.00 63.25 H new ATOM 0 HA LYS A 48 9.589 12.233 -1.995 1.00 53.43 H new ATOM 0 HB2 LYS A 48 11.781 10.186 -2.615 1.00 73.32 H new ATOM 0 HB3 LYS A 48 12.143 11.797 -2.027 1.00 73.32 H new ATOM 0 HG2 LYS A 48 10.452 9.733 -0.542 1.00 62.02 H new ATOM 0 HG3 LYS A 48 12.139 10.075 -0.212 1.00 62.02 H new ATOM 0 HD2 LYS A 48 9.816 12.047 0.112 1.00 24.53 H new ATOM 0 HD3 LYS A 48 10.664 11.240 1.416 1.00 24.53 H new ATOM 0 HE2 LYS A 48 11.880 13.254 -0.529 1.00 61.14 H new ATOM 0 HE3 LYS A 48 11.452 13.572 1.140 1.00 61.14 H new ATOM 0 HZ1 LYS A 48 13.855 13.108 0.711 1.00 52.53 H new ATOM 0 HZ2 LYS A 48 13.150 12.132 1.909 1.00 52.53 H new ATOM 0 HZ3 LYS A 48 13.436 11.500 0.359 1.00 52.53 H new ATOM 777 N ASP A 49 10.642 11.605 -5.038 1.00 22.22 N ATOM 778 CA ASP A 49 11.075 12.191 -6.317 1.00 52.11 C ATOM 779 C ASP A 49 9.951 13.042 -6.916 1.00 12.20 C ATOM 780 O ASP A 49 10.187 14.157 -7.392 1.00 23.33 O ATOM 781 CB ASP A 49 11.511 11.071 -7.299 1.00 33.04 C ATOM 782 CG ASP A 49 12.008 11.589 -8.660 1.00 22.44 C ATOM 783 OD1 ASP A 49 13.027 12.313 -8.700 1.00 73.32 O ATOM 784 OD2 ASP A 49 11.376 11.294 -9.695 1.00 30.31 O ATOM 0 H ASP A 49 10.529 10.592 -5.071 1.00 22.22 H new ATOM 0 HA ASP A 49 11.933 12.839 -6.139 1.00 52.11 H new ATOM 0 HB2 ASP A 49 12.303 10.483 -6.835 1.00 33.04 H new ATOM 0 HB3 ASP A 49 10.669 10.398 -7.463 1.00 33.04 H new ATOM 789 N ASN A 50 8.727 12.506 -6.862 1.00 0.30 N ATOM 790 CA ASN A 50 7.525 13.198 -7.347 1.00 25.41 C ATOM 791 C ASN A 50 6.966 14.100 -6.229 1.00 73.11 C ATOM 792 O ASN A 50 6.973 15.333 -6.348 1.00 61.02 O ATOM 793 CB ASN A 50 6.471 12.146 -7.825 1.00 12.35 C ATOM 794 CG ASN A 50 5.213 12.733 -8.504 1.00 11.23 C ATOM 795 OD1 ASN A 50 4.747 13.820 -8.182 1.00 42.23 O ATOM 796 ND2 ASN A 50 4.637 12.001 -9.445 1.00 40.01 N ATOM 0 H ASN A 50 8.540 11.579 -6.480 1.00 0.30 H new ATOM 0 HA ASN A 50 7.773 13.832 -8.198 1.00 25.41 H new ATOM 0 HB2 ASN A 50 6.955 11.463 -8.523 1.00 12.35 H new ATOM 0 HB3 ASN A 50 6.157 11.554 -6.965 1.00 12.35 H new ATOM 0 HD21 ASN A 50 3.795 12.340 -9.911 1.00 40.01 H new ATOM 0 HD22 ASN A 50 5.035 11.098 -9.704 1.00 40.01 H new ATOM 803 N GLY A 51 6.552 13.475 -5.117 1.00 30.31 N ATOM 804 CA GLY A 51 5.752 14.149 -4.086 1.00 24.41 C ATOM 805 C GLY A 51 4.280 13.889 -4.343 1.00 3.13 C ATOM 806 O GLY A 51 3.569 14.745 -4.889 1.00 63.35 O ATOM 0 H GLY A 51 6.760 12.498 -4.909 1.00 30.31 H new ATOM 0 HA2 GLY A 51 6.030 13.784 -3.097 1.00 24.41 H new ATOM 0 HA3 GLY A 51 5.951 15.221 -4.098 1.00 24.41 H new ATOM 810 N LYS A 52 3.824 12.687 -3.954 1.00 2.35 N ATOM 811 CA LYS A 52 2.539 12.127 -4.408 1.00 11.30 C ATOM 812 C LYS A 52 1.879 11.254 -3.317 1.00 21.41 C ATOM 813 O LYS A 52 2.545 10.875 -2.349 1.00 42.24 O ATOM 814 CB LYS A 52 2.807 11.280 -5.684 1.00 20.40 C ATOM 815 CG LYS A 52 3.723 10.049 -5.462 1.00 64.50 C ATOM 816 CD LYS A 52 4.114 9.345 -6.780 1.00 1.43 C ATOM 817 CE LYS A 52 2.901 8.858 -7.586 1.00 54.34 C ATOM 818 NZ LYS A 52 3.316 8.203 -8.853 1.00 30.53 N ATOM 0 H LYS A 52 4.335 12.076 -3.317 1.00 2.35 H new ATOM 0 HA LYS A 52 1.849 12.943 -4.624 1.00 11.30 H new ATOM 0 HB2 LYS A 52 1.852 10.938 -6.084 1.00 20.40 H new ATOM 0 HB3 LYS A 52 3.259 11.921 -6.441 1.00 20.40 H new ATOM 0 HG2 LYS A 52 4.628 10.365 -4.942 1.00 64.50 H new ATOM 0 HG3 LYS A 52 3.215 9.337 -4.812 1.00 64.50 H new ATOM 0 HD2 LYS A 52 4.698 10.032 -7.393 1.00 1.43 H new ATOM 0 HD3 LYS A 52 4.757 8.495 -6.554 1.00 1.43 H new ATOM 0 HE2 LYS A 52 2.322 8.157 -6.985 1.00 54.34 H new ATOM 0 HE3 LYS A 52 2.248 9.702 -7.808 1.00 54.34 H new ATOM 0 HZ1 LYS A 52 2.472 7.901 -9.381 1.00 30.53 H new ATOM 0 HZ2 LYS A 52 3.862 8.875 -9.429 1.00 30.53 H new ATOM 0 HZ3 LYS A 52 3.905 7.373 -8.638 1.00 30.53 H new ATOM 832 N PRO A 53 0.538 10.975 -3.427 1.00 32.32 N ATOM 833 CA PRO A 53 -0.124 9.914 -2.647 1.00 20.15 C ATOM 834 C PRO A 53 -0.148 8.550 -3.398 1.00 71.40 C ATOM 835 O PRO A 53 -0.297 8.504 -4.627 1.00 63.54 O ATOM 836 CB PRO A 53 -1.538 10.498 -2.455 1.00 50.21 C ATOM 837 CG PRO A 53 -1.810 11.307 -3.696 1.00 14.32 C ATOM 838 CD PRO A 53 -0.454 11.726 -4.257 1.00 14.53 C ATOM 0 HA PRO A 53 0.385 9.679 -1.712 1.00 20.15 H new ATOM 0 HB2 PRO A 53 -2.277 9.706 -2.333 1.00 50.21 H new ATOM 0 HB3 PRO A 53 -1.588 11.121 -1.562 1.00 50.21 H new ATOM 0 HG2 PRO A 53 -2.365 10.719 -4.427 1.00 14.32 H new ATOM 0 HG3 PRO A 53 -2.418 12.181 -3.462 1.00 14.32 H new ATOM 0 HD2 PRO A 53 -0.364 11.470 -5.313 1.00 14.53 H new ATOM 0 HD3 PRO A 53 -0.306 12.803 -4.176 1.00 14.53 H new ATOM 846 N LEU A 54 0.024 7.445 -2.642 1.00 53.52 N ATOM 847 CA LEU A 54 -0.008 6.058 -3.179 1.00 12.15 C ATOM 848 C LEU A 54 -0.730 5.121 -2.192 1.00 53.24 C ATOM 849 O LEU A 54 -0.857 5.437 -1.007 1.00 31.00 O ATOM 850 CB LEU A 54 1.449 5.538 -3.464 1.00 44.34 C ATOM 851 CG LEU A 54 2.158 6.125 -4.735 1.00 12.44 C ATOM 852 CD1 LEU A 54 3.645 5.707 -4.824 1.00 64.42 C ATOM 853 CD2 LEU A 54 1.402 5.722 -6.014 1.00 35.22 C ATOM 0 H LEU A 54 0.190 7.485 -1.636 1.00 53.52 H new ATOM 0 HA LEU A 54 -0.558 6.065 -4.120 1.00 12.15 H new ATOM 0 HB2 LEU A 54 2.068 5.758 -2.594 1.00 44.34 H new ATOM 0 HB3 LEU A 54 1.412 4.453 -3.562 1.00 44.34 H new ATOM 0 HG LEU A 54 2.136 7.211 -4.641 1.00 12.44 H new ATOM 0 HD11 LEU A 54 4.091 6.138 -5.720 1.00 64.42 H new ATOM 0 HD12 LEU A 54 4.178 6.068 -3.944 1.00 64.42 H new ATOM 0 HD13 LEU A 54 3.715 4.620 -4.870 1.00 64.42 H new ATOM 0 HD21 LEU A 54 1.910 6.139 -6.884 1.00 35.22 H new ATOM 0 HD22 LEU A 54 1.377 4.635 -6.095 1.00 35.22 H new ATOM 0 HD23 LEU A 54 0.383 6.106 -5.970 1.00 35.22 H new ATOM 865 N VAL A 55 -1.221 3.975 -2.692 1.00 31.04 N ATOM 866 CA VAL A 55 -1.788 2.895 -1.855 1.00 70.33 C ATOM 867 C VAL A 55 -1.029 1.599 -2.170 1.00 73.33 C ATOM 868 O VAL A 55 -1.245 1.007 -3.224 1.00 0.22 O ATOM 869 CB VAL A 55 -3.336 2.679 -2.107 1.00 15.30 C ATOM 870 CG1 VAL A 55 -3.899 1.566 -1.188 1.00 74.35 C ATOM 871 CG2 VAL A 55 -4.132 3.997 -1.944 1.00 22.01 C ATOM 0 H VAL A 55 -1.238 3.767 -3.690 1.00 31.04 H new ATOM 0 HA VAL A 55 -1.676 3.177 -0.808 1.00 70.33 H new ATOM 0 HB VAL A 55 -3.457 2.354 -3.141 1.00 15.30 H new ATOM 0 HG11 VAL A 55 -4.964 1.438 -1.382 1.00 74.35 H new ATOM 0 HG12 VAL A 55 -3.379 0.630 -1.390 1.00 74.35 H new ATOM 0 HG13 VAL A 55 -3.751 1.846 -0.145 1.00 74.35 H new ATOM 0 HG21 VAL A 55 -5.190 3.808 -2.125 1.00 22.01 H new ATOM 0 HG22 VAL A 55 -3.999 4.379 -0.932 1.00 22.01 H new ATOM 0 HG23 VAL A 55 -3.768 4.733 -2.660 1.00 22.01 H new ATOM 881 N VAL A 56 -0.120 1.184 -1.273 1.00 12.42 N ATOM 882 CA VAL A 56 0.738 0.002 -1.483 1.00 43.13 C ATOM 883 C VAL A 56 0.081 -1.281 -0.947 1.00 11.52 C ATOM 884 O VAL A 56 -0.065 -1.450 0.265 1.00 10.42 O ATOM 885 CB VAL A 56 2.142 0.219 -0.804 1.00 24.21 C ATOM 886 CG1 VAL A 56 3.031 -1.046 -0.851 1.00 20.21 C ATOM 887 CG2 VAL A 56 2.860 1.412 -1.453 1.00 52.55 C ATOM 0 H VAL A 56 0.042 1.656 -0.383 1.00 12.42 H new ATOM 0 HA VAL A 56 0.874 -0.120 -2.558 1.00 43.13 H new ATOM 0 HB VAL A 56 1.963 0.432 0.250 1.00 24.21 H new ATOM 0 HG11 VAL A 56 3.986 -0.838 -0.369 1.00 20.21 H new ATOM 0 HG12 VAL A 56 2.531 -1.862 -0.329 1.00 20.21 H new ATOM 0 HG13 VAL A 56 3.203 -1.331 -1.889 1.00 20.21 H new ATOM 0 HG21 VAL A 56 3.830 1.555 -0.977 1.00 52.55 H new ATOM 0 HG22 VAL A 56 3.002 1.217 -2.516 1.00 52.55 H new ATOM 0 HG23 VAL A 56 2.258 2.312 -1.327 1.00 52.55 H new ATOM 897 N PHE A 57 -0.317 -2.170 -1.869 1.00 50.04 N ATOM 898 CA PHE A 57 -0.772 -3.527 -1.540 1.00 13.34 C ATOM 899 C PHE A 57 0.438 -4.479 -1.502 1.00 51.24 C ATOM 900 O PHE A 57 0.989 -4.809 -2.559 1.00 63.10 O ATOM 901 CB PHE A 57 -1.781 -4.012 -2.617 1.00 63.00 C ATOM 902 CG PHE A 57 -3.097 -3.235 -2.676 1.00 52.54 C ATOM 903 CD1 PHE A 57 -3.227 -2.079 -3.449 1.00 65.43 C ATOM 904 CD2 PHE A 57 -4.209 -3.667 -1.954 1.00 43.20 C ATOM 905 CE1 PHE A 57 -4.425 -1.387 -3.497 1.00 11.13 C ATOM 906 CE2 PHE A 57 -5.401 -2.976 -2.004 1.00 54.31 C ATOM 907 CZ PHE A 57 -5.510 -1.835 -2.774 1.00 72.14 C ATOM 0 H PHE A 57 -0.332 -1.966 -2.868 1.00 50.04 H new ATOM 0 HA PHE A 57 -1.259 -3.520 -0.565 1.00 13.34 H new ATOM 0 HB2 PHE A 57 -1.300 -3.955 -3.594 1.00 63.00 H new ATOM 0 HB3 PHE A 57 -2.006 -5.063 -2.433 1.00 63.00 H new ATOM 0 HD1 PHE A 57 -2.381 -1.720 -4.017 1.00 65.43 H new ATOM 0 HD2 PHE A 57 -4.135 -4.557 -1.346 1.00 43.20 H new ATOM 0 HE1 PHE A 57 -4.510 -0.496 -4.101 1.00 11.13 H new ATOM 0 HE2 PHE A 57 -6.252 -3.328 -1.439 1.00 54.31 H new ATOM 0 HZ PHE A 57 -6.444 -1.294 -2.810 1.00 72.14 H new ATOM 917 N VAL A 58 0.863 -4.908 -0.299 1.00 20.22 N ATOM 918 CA VAL A 58 1.914 -5.934 -0.171 1.00 75.41 C ATOM 919 C VAL A 58 1.265 -7.336 -0.303 1.00 25.04 C ATOM 920 O VAL A 58 0.730 -7.882 0.665 1.00 33.14 O ATOM 921 CB VAL A 58 2.804 -5.793 1.145 1.00 65.22 C ATOM 922 CG1 VAL A 58 3.606 -4.476 1.161 1.00 32.50 C ATOM 923 CG2 VAL A 58 2.003 -5.927 2.443 1.00 43.31 C ATOM 0 H VAL A 58 0.499 -4.564 0.590 1.00 20.22 H new ATOM 0 HA VAL A 58 2.626 -5.785 -0.982 1.00 75.41 H new ATOM 0 HB VAL A 58 3.498 -6.632 1.104 1.00 65.22 H new ATOM 0 HG11 VAL A 58 4.198 -4.421 2.075 1.00 32.50 H new ATOM 0 HG12 VAL A 58 4.269 -4.443 0.297 1.00 32.50 H new ATOM 0 HG13 VAL A 58 2.919 -3.631 1.123 1.00 32.50 H new ATOM 0 HG21 VAL A 58 2.673 -5.821 3.296 1.00 43.31 H new ATOM 0 HG22 VAL A 58 1.240 -5.150 2.481 1.00 43.31 H new ATOM 0 HG23 VAL A 58 1.526 -6.906 2.476 1.00 43.31 H new ATOM 933 N ASN A 59 1.266 -7.880 -1.540 1.00 33.21 N ATOM 934 CA ASN A 59 0.620 -9.179 -1.862 1.00 55.40 C ATOM 935 C ASN A 59 1.259 -10.346 -1.080 1.00 53.03 C ATOM 936 O ASN A 59 2.224 -10.964 -1.548 1.00 34.53 O ATOM 937 CB ASN A 59 0.631 -9.474 -3.395 1.00 40.30 C ATOM 938 CG ASN A 59 -0.392 -8.655 -4.190 1.00 33.03 C ATOM 939 OD1 ASN A 59 -0.656 -7.492 -3.887 1.00 64.41 O ATOM 940 ND2 ASN A 59 -1.010 -9.270 -5.191 1.00 24.14 N ATOM 0 H ASN A 59 1.712 -7.436 -2.343 1.00 33.21 H new ATOM 0 HA ASN A 59 -0.420 -9.093 -1.548 1.00 55.40 H new ATOM 0 HB2 ASN A 59 1.628 -9.272 -3.787 1.00 40.30 H new ATOM 0 HB3 ASN A 59 0.435 -10.535 -3.553 1.00 40.30 H new ATOM 0 HD21 ASN A 59 -1.723 -8.778 -5.730 1.00 24.14 H new ATOM 0 HD22 ASN A 59 -0.772 -10.235 -5.421 1.00 24.14 H new ATOM 947 N GLY A 60 0.704 -10.593 0.133 1.00 74.22 N ATOM 948 CA GLY A 60 1.145 -11.659 1.036 1.00 52.31 C ATOM 949 C GLY A 60 2.639 -11.619 1.332 1.00 23.31 C ATOM 950 O GLY A 60 3.292 -12.664 1.460 1.00 4.41 O ATOM 0 H GLY A 60 -0.071 -10.045 0.506 1.00 74.22 H new ATOM 0 HA2 GLY A 60 0.594 -11.583 1.973 1.00 52.31 H new ATOM 0 HA3 GLY A 60 0.895 -12.625 0.597 1.00 52.31 H new ATOM 954 N ALA A 61 3.178 -10.392 1.412 1.00 12.23 N ATOM 955 CA ALA A 61 4.615 -10.154 1.593 1.00 22.41 C ATOM 956 C ALA A 61 5.035 -10.376 3.056 1.00 43.34 C ATOM 957 O ALA A 61 4.180 -10.515 3.943 1.00 25.24 O ATOM 958 CB ALA A 61 4.963 -8.746 1.117 1.00 20.12 C ATOM 0 H ALA A 61 2.626 -9.536 1.353 1.00 12.23 H new ATOM 0 HA ALA A 61 5.172 -10.872 0.991 1.00 22.41 H new ATOM 0 HB1 ALA A 61 6.030 -8.570 1.252 1.00 20.12 H new ATOM 0 HB2 ALA A 61 4.709 -8.645 0.062 1.00 20.12 H new ATOM 0 HB3 ALA A 61 4.399 -8.016 1.697 1.00 20.12 H new ATOM 964 N SER A 62 6.353 -10.400 3.293 1.00 42.25 N ATOM 965 CA SER A 62 6.929 -10.720 4.608 1.00 0.34 C ATOM 966 C SER A 62 7.065 -9.455 5.466 1.00 55.52 C ATOM 967 O SER A 62 7.033 -8.335 4.947 1.00 51.04 O ATOM 968 CB SER A 62 8.304 -11.393 4.415 1.00 42.52 C ATOM 969 OG SER A 62 9.202 -10.563 3.671 1.00 13.11 O ATOM 0 H SER A 62 7.052 -10.198 2.578 1.00 42.25 H new ATOM 0 HA SER A 62 6.262 -11.407 5.129 1.00 0.34 H new ATOM 0 HB2 SER A 62 8.739 -11.617 5.389 1.00 42.52 H new ATOM 0 HB3 SER A 62 8.174 -12.343 3.897 1.00 42.52 H new ATOM 0 HG SER A 62 8.743 -9.737 3.409 1.00 13.11 H new ATOM 975 N GLN A 63 7.257 -9.651 6.783 1.00 31.52 N ATOM 976 CA GLN A 63 7.456 -8.542 7.727 1.00 32.11 C ATOM 977 C GLN A 63 8.782 -7.807 7.441 1.00 73.41 C ATOM 978 O GLN A 63 8.909 -6.639 7.778 1.00 42.02 O ATOM 979 CB GLN A 63 7.406 -9.054 9.194 1.00 44.22 C ATOM 980 CG GLN A 63 7.510 -7.952 10.284 1.00 54.30 C ATOM 981 CD GLN A 63 6.385 -6.908 10.221 1.00 34.21 C ATOM 982 OE1 GLN A 63 5.266 -7.207 9.812 1.00 31.13 O ATOM 983 NE2 GLN A 63 6.666 -5.680 10.622 1.00 24.52 N ATOM 0 H GLN A 63 7.278 -10.574 7.217 1.00 31.52 H new ATOM 0 HA GLN A 63 6.643 -7.829 7.591 1.00 32.11 H new ATOM 0 HB2 GLN A 63 6.474 -9.600 9.340 1.00 44.22 H new ATOM 0 HB3 GLN A 63 8.218 -9.766 9.341 1.00 44.22 H new ATOM 0 HG2 GLN A 63 7.500 -8.424 11.266 1.00 54.30 H new ATOM 0 HG3 GLN A 63 8.470 -7.445 10.184 1.00 54.30 H new ATOM 0 HE21 GLN A 63 7.602 -5.455 10.958 1.00 24.52 H new ATOM 0 HE22 GLN A 63 5.946 -4.958 10.596 1.00 24.52 H new ATOM 992 N ASN A 64 9.734 -8.497 6.776 1.00 53.13 N ATOM 993 CA ASN A 64 11.041 -7.915 6.399 1.00 1.23 C ATOM 994 C ASN A 64 10.856 -6.650 5.532 1.00 65.51 C ATOM 995 O ASN A 64 11.257 -5.566 5.943 1.00 73.21 O ATOM 996 CB ASN A 64 11.917 -8.960 5.659 1.00 64.23 C ATOM 997 CG ASN A 64 13.310 -8.446 5.221 1.00 44.40 C ATOM 998 OD1 ASN A 64 13.860 -8.915 4.232 1.00 41.24 O ATOM 999 ND2 ASN A 64 13.908 -7.501 5.946 1.00 2.21 N ATOM 0 H ASN A 64 9.619 -9.468 6.487 1.00 53.13 H new ATOM 0 HA ASN A 64 11.554 -7.625 7.316 1.00 1.23 H new ATOM 0 HB2 ASN A 64 12.052 -9.825 6.308 1.00 64.23 H new ATOM 0 HB3 ASN A 64 11.379 -9.305 4.776 1.00 64.23 H new ATOM 0 HD21 ASN A 64 14.832 -7.162 5.679 1.00 2.21 H new ATOM 0 HD22 ASN A 64 13.441 -7.117 6.768 1.00 2.21 H new ATOM 1006 N ASP A 65 10.189 -6.795 4.362 1.00 64.24 N ATOM 1007 CA ASP A 65 9.973 -5.668 3.412 1.00 31.22 C ATOM 1008 C ASP A 65 8.996 -4.623 3.992 1.00 53.45 C ATOM 1009 O ASP A 65 9.037 -3.457 3.590 1.00 64.14 O ATOM 1010 CB ASP A 65 9.471 -6.166 2.027 1.00 31.54 C ATOM 1011 CG ASP A 65 8.126 -6.901 2.080 1.00 41.30 C ATOM 1012 OD1 ASP A 65 8.140 -8.140 2.273 1.00 41.00 O ATOM 1013 OD2 ASP A 65 7.069 -6.258 1.930 1.00 61.12 O ATOM 0 H ASP A 65 9.790 -7.680 4.050 1.00 64.24 H new ATOM 0 HA ASP A 65 10.942 -5.190 3.265 1.00 31.22 H new ATOM 0 HB2 ASP A 65 9.381 -5.312 1.356 1.00 31.54 H new ATOM 0 HB3 ASP A 65 10.220 -6.831 1.598 1.00 31.54 H new ATOM 1018 N VAL A 66 8.112 -5.066 4.915 1.00 72.11 N ATOM 1019 CA VAL A 66 7.234 -4.160 5.694 1.00 51.11 C ATOM 1020 C VAL A 66 8.085 -3.243 6.601 1.00 24.50 C ATOM 1021 O VAL A 66 7.839 -2.036 6.665 1.00 52.15 O ATOM 1022 CB VAL A 66 6.182 -4.954 6.559 1.00 75.31 C ATOM 1023 CG1 VAL A 66 5.382 -4.026 7.518 1.00 41.51 C ATOM 1024 CG2 VAL A 66 5.230 -5.763 5.645 1.00 52.22 C ATOM 0 H VAL A 66 7.987 -6.053 5.140 1.00 72.11 H new ATOM 0 HA VAL A 66 6.678 -3.551 4.981 1.00 51.11 H new ATOM 0 HB VAL A 66 6.738 -5.649 7.188 1.00 75.31 H new ATOM 0 HG11 VAL A 66 4.671 -4.621 8.091 1.00 41.51 H new ATOM 0 HG12 VAL A 66 6.071 -3.527 8.200 1.00 41.51 H new ATOM 0 HG13 VAL A 66 4.843 -3.279 6.936 1.00 41.51 H new ATOM 0 HG21 VAL A 66 4.510 -6.305 6.258 1.00 52.22 H new ATOM 0 HG22 VAL A 66 4.699 -5.082 4.979 1.00 52.22 H new ATOM 0 HG23 VAL A 66 5.809 -6.472 5.053 1.00 52.22 H new ATOM 1034 N ASN A 67 9.102 -3.829 7.281 1.00 55.44 N ATOM 1035 CA ASN A 67 10.033 -3.077 8.158 1.00 10.02 C ATOM 1036 C ASN A 67 10.770 -2.033 7.325 1.00 75.12 C ATOM 1037 O ASN A 67 10.822 -0.859 7.692 1.00 73.22 O ATOM 1038 CB ASN A 67 11.081 -4.008 8.843 1.00 55.02 C ATOM 1039 CG ASN A 67 10.467 -5.035 9.784 1.00 24.54 C ATOM 1040 OD1 ASN A 67 9.431 -4.790 10.396 1.00 52.24 O ATOM 1041 ND2 ASN A 67 11.103 -6.185 9.919 1.00 75.42 N ATOM 0 H ASN A 67 9.299 -4.829 7.237 1.00 55.44 H new ATOM 0 HA ASN A 67 9.440 -2.606 8.942 1.00 10.02 H new ATOM 0 HB2 ASN A 67 11.649 -4.529 8.072 1.00 55.02 H new ATOM 0 HB3 ASN A 67 11.788 -3.395 9.401 1.00 55.02 H new ATOM 0 HD21 ASN A 67 10.735 -6.901 10.546 1.00 75.42 H new ATOM 0 HD22 ASN A 67 11.962 -6.357 9.396 1.00 75.42 H new ATOM 1048 N GLU A 68 11.284 -2.482 6.167 1.00 52.03 N ATOM 1049 CA GLU A 68 12.051 -1.629 5.248 1.00 31.53 C ATOM 1050 C GLU A 68 11.162 -0.517 4.686 1.00 51.41 C ATOM 1051 O GLU A 68 11.625 0.596 4.495 1.00 22.32 O ATOM 1052 CB GLU A 68 12.666 -2.467 4.096 1.00 5.21 C ATOM 1053 CG GLU A 68 13.412 -3.732 4.566 1.00 12.05 C ATOM 1054 CD GLU A 68 14.485 -3.480 5.640 1.00 71.25 C ATOM 1055 OE1 GLU A 68 15.623 -3.132 5.269 1.00 41.30 O ATOM 1056 OE2 GLU A 68 14.204 -3.665 6.849 1.00 32.13 O ATOM 0 H GLU A 68 11.179 -3.444 5.844 1.00 52.03 H new ATOM 0 HA GLU A 68 12.868 -1.174 5.808 1.00 31.53 H new ATOM 0 HB2 GLU A 68 11.871 -2.761 3.410 1.00 5.21 H new ATOM 0 HB3 GLU A 68 13.357 -1.839 3.533 1.00 5.21 H new ATOM 0 HG2 GLU A 68 12.684 -4.443 4.958 1.00 12.05 H new ATOM 0 HG3 GLU A 68 13.884 -4.202 3.703 1.00 12.05 H new ATOM 1063 N PHE A 69 9.870 -0.826 4.463 1.00 12.23 N ATOM 1064 CA PHE A 69 8.891 0.167 3.978 1.00 34.23 C ATOM 1065 C PHE A 69 8.736 1.299 5.001 1.00 55.13 C ATOM 1066 O PHE A 69 8.738 2.477 4.650 1.00 24.22 O ATOM 1067 CB PHE A 69 7.516 -0.495 3.677 1.00 12.22 C ATOM 1068 CG PHE A 69 6.519 0.440 2.985 1.00 71.51 C ATOM 1069 CD1 PHE A 69 6.531 0.593 1.598 1.00 31.13 C ATOM 1070 CD2 PHE A 69 5.593 1.182 3.719 1.00 4.33 C ATOM 1071 CE1 PHE A 69 5.649 1.447 0.971 1.00 21.32 C ATOM 1072 CE2 PHE A 69 4.713 2.036 3.091 1.00 74.12 C ATOM 1073 CZ PHE A 69 4.741 2.166 1.718 1.00 61.42 C ATOM 0 H PHE A 69 9.479 -1.757 4.611 1.00 12.23 H new ATOM 0 HA PHE A 69 9.266 0.586 3.044 1.00 34.23 H new ATOM 0 HB2 PHE A 69 7.675 -1.371 3.048 1.00 12.22 H new ATOM 0 HB3 PHE A 69 7.081 -0.848 4.612 1.00 12.22 H new ATOM 0 HD1 PHE A 69 7.242 0.034 1.007 1.00 31.13 H new ATOM 0 HD2 PHE A 69 5.566 1.086 4.794 1.00 4.33 H new ATOM 0 HE1 PHE A 69 5.670 1.552 -0.104 1.00 21.32 H new ATOM 0 HE2 PHE A 69 4.002 2.603 3.673 1.00 74.12 H new ATOM 0 HZ PHE A 69 4.049 2.834 1.227 1.00 61.42 H new ATOM 1083 N GLN A 70 8.640 0.906 6.273 1.00 1.50 N ATOM 1084 CA GLN A 70 8.455 1.833 7.391 1.00 33.34 C ATOM 1085 C GLN A 70 9.732 2.664 7.630 1.00 31.45 C ATOM 1086 O GLN A 70 9.651 3.879 7.811 1.00 44.50 O ATOM 1087 CB GLN A 70 8.046 1.043 8.663 1.00 0.20 C ATOM 1088 CG GLN A 70 6.730 0.248 8.510 1.00 4.44 C ATOM 1089 CD GLN A 70 6.397 -0.609 9.732 1.00 51.23 C ATOM 1090 OE1 GLN A 70 5.704 -0.160 10.644 1.00 42.31 O ATOM 1091 NE2 GLN A 70 6.914 -1.830 9.769 1.00 14.41 N ATOM 0 H GLN A 70 8.689 -0.072 6.558 1.00 1.50 H new ATOM 0 HA GLN A 70 7.655 2.532 7.147 1.00 33.34 H new ATOM 0 HB2 GLN A 70 8.848 0.352 8.923 1.00 0.20 H new ATOM 0 HB3 GLN A 70 7.943 1.740 9.494 1.00 0.20 H new ATOM 0 HG2 GLN A 70 5.911 0.945 8.329 1.00 4.44 H new ATOM 0 HG3 GLN A 70 6.801 -0.395 7.632 1.00 4.44 H new ATOM 0 HE21 GLN A 70 7.484 -2.166 8.993 1.00 14.41 H new ATOM 0 HE22 GLN A 70 6.742 -2.433 10.574 1.00 14.41 H new ATOM 1100 N ASN A 71 10.912 2.000 7.589 1.00 53.32 N ATOM 1101 CA ASN A 71 12.220 2.639 7.878 1.00 44.13 C ATOM 1102 C ASN A 71 12.627 3.609 6.759 1.00 71.14 C ATOM 1103 O ASN A 71 13.069 4.735 7.038 1.00 13.00 O ATOM 1104 CB ASN A 71 13.343 1.582 8.123 1.00 25.52 C ATOM 1105 CG ASN A 71 13.326 0.996 9.544 1.00 73.43 C ATOM 1106 OD1 ASN A 71 13.892 1.580 10.471 1.00 73.52 O ATOM 1107 ND2 ASN A 71 12.724 -0.169 9.727 1.00 51.34 N ATOM 0 H ASN A 71 10.985 1.010 7.356 1.00 53.32 H new ATOM 0 HA ASN A 71 12.097 3.210 8.798 1.00 44.13 H new ATOM 0 HB2 ASN A 71 13.234 0.772 7.402 1.00 25.52 H new ATOM 0 HB3 ASN A 71 14.313 2.043 7.939 1.00 25.52 H new ATOM 0 HD21 ASN A 71 12.722 -0.602 10.650 1.00 51.34 H new ATOM 0 HD22 ASN A 71 12.262 -0.633 8.945 1.00 51.34 H new ATOM 1114 N GLU A 72 12.458 3.178 5.502 1.00 52.44 N ATOM 1115 CA GLU A 72 12.770 4.012 4.334 1.00 0.53 C ATOM 1116 C GLU A 72 11.836 5.226 4.286 1.00 13.13 C ATOM 1117 O GLU A 72 12.301 6.349 4.128 1.00 25.45 O ATOM 1118 CB GLU A 72 12.678 3.207 3.020 1.00 33.44 C ATOM 1119 CG GLU A 72 13.729 2.093 2.866 1.00 24.41 C ATOM 1120 CD GLU A 72 15.174 2.614 2.814 1.00 44.41 C ATOM 1121 OE1 GLU A 72 15.640 2.968 1.719 1.00 65.33 O ATOM 1122 OE2 GLU A 72 15.852 2.675 3.864 1.00 22.05 O ATOM 0 H GLU A 72 12.105 2.250 5.267 1.00 52.44 H new ATOM 0 HA GLU A 72 13.798 4.359 4.436 1.00 0.53 H new ATOM 0 HB2 GLU A 72 11.685 2.761 2.953 1.00 33.44 H new ATOM 0 HB3 GLU A 72 12.775 3.896 2.181 1.00 33.44 H new ATOM 0 HG2 GLU A 72 13.633 1.396 3.699 1.00 24.41 H new ATOM 0 HG3 GLU A 72 13.521 1.532 1.955 1.00 24.41 H new ATOM 1129 N ALA A 73 10.533 4.997 4.471 1.00 50.11 N ATOM 1130 CA ALA A 73 9.534 6.076 4.434 1.00 54.41 C ATOM 1131 C ALA A 73 9.802 7.140 5.529 1.00 33.12 C ATOM 1132 O ALA A 73 9.817 8.335 5.233 1.00 74.22 O ATOM 1133 CB ALA A 73 8.125 5.500 4.547 1.00 74.33 C ATOM 0 H ALA A 73 10.141 4.072 4.649 1.00 50.11 H new ATOM 0 HA ALA A 73 9.619 6.583 3.473 1.00 54.41 H new ATOM 0 HB1 ALA A 73 7.397 6.311 4.518 1.00 74.33 H new ATOM 0 HB2 ALA A 73 7.943 4.819 3.716 1.00 74.33 H new ATOM 0 HB3 ALA A 73 8.028 4.958 5.488 1.00 74.33 H new ATOM 1139 N LYS A 74 10.079 6.688 6.776 1.00 54.13 N ATOM 1140 CA LYS A 74 10.265 7.605 7.931 1.00 1.44 C ATOM 1141 C LYS A 74 11.569 8.425 7.800 1.00 63.34 C ATOM 1142 O LYS A 74 11.575 9.615 8.122 1.00 4.44 O ATOM 1143 CB LYS A 74 10.175 6.850 9.304 1.00 4.12 C ATOM 1144 CG LYS A 74 11.291 5.825 9.630 1.00 23.34 C ATOM 1145 CD LYS A 74 12.523 6.431 10.338 1.00 32.41 C ATOM 1146 CE LYS A 74 13.680 5.428 10.442 1.00 54.23 C ATOM 1147 NZ LYS A 74 13.343 4.222 11.240 1.00 42.03 N ATOM 0 H LYS A 74 10.178 5.700 7.009 1.00 54.13 H new ATOM 0 HA LYS A 74 9.438 8.315 7.915 1.00 1.44 H new ATOM 0 HB2 LYS A 74 10.161 7.596 10.098 1.00 4.12 H new ATOM 0 HB3 LYS A 74 9.218 6.329 9.339 1.00 4.12 H new ATOM 0 HG2 LYS A 74 10.874 5.040 10.260 1.00 23.34 H new ATOM 0 HG3 LYS A 74 11.615 5.351 8.703 1.00 23.34 H new ATOM 0 HD2 LYS A 74 12.857 7.313 9.792 1.00 32.41 H new ATOM 0 HD3 LYS A 74 12.240 6.762 11.337 1.00 32.41 H new ATOM 0 HE2 LYS A 74 13.976 5.120 9.439 1.00 54.23 H new ATOM 0 HE3 LYS A 74 14.541 5.923 10.891 1.00 54.23 H new ATOM 0 HZ1 LYS A 74 13.895 4.224 12.122 1.00 42.03 H new ATOM 0 HZ2 LYS A 74 12.328 4.228 11.467 1.00 42.03 H new ATOM 0 HZ3 LYS A 74 13.570 3.368 10.691 1.00 42.03 H new ATOM 1161 N LYS A 75 12.660 7.792 7.309 1.00 11.41 N ATOM 1162 CA LYS A 75 13.975 8.471 7.183 1.00 33.53 C ATOM 1163 C LYS A 75 13.937 9.492 6.039 1.00 25.31 C ATOM 1164 O LYS A 75 14.637 10.514 6.071 1.00 42.30 O ATOM 1165 CB LYS A 75 15.138 7.457 6.954 1.00 43.11 C ATOM 1166 CG LYS A 75 15.132 6.728 5.588 1.00 61.11 C ATOM 1167 CD LYS A 75 16.311 5.745 5.413 1.00 13.01 C ATOM 1168 CE LYS A 75 17.684 6.431 5.430 1.00 31.01 C ATOM 1169 NZ LYS A 75 18.787 5.453 5.197 1.00 45.44 N ATOM 0 H LYS A 75 12.659 6.821 6.996 1.00 11.41 H new ATOM 0 HA LYS A 75 14.167 8.986 8.125 1.00 33.53 H new ATOM 0 HB2 LYS A 75 16.084 7.988 7.058 1.00 43.11 H new ATOM 0 HB3 LYS A 75 15.104 6.708 7.745 1.00 43.11 H new ATOM 0 HG2 LYS A 75 14.195 6.183 5.480 1.00 61.11 H new ATOM 0 HG3 LYS A 75 15.164 7.469 4.789 1.00 61.11 H new ATOM 0 HD2 LYS A 75 16.275 5.001 6.209 1.00 13.01 H new ATOM 0 HD3 LYS A 75 16.192 5.210 4.471 1.00 13.01 H new ATOM 0 HE2 LYS A 75 17.715 7.205 4.663 1.00 31.01 H new ATOM 0 HE3 LYS A 75 17.832 6.927 6.389 1.00 31.01 H new ATOM 0 HZ1 LYS A 75 19.701 5.949 5.215 1.00 45.44 H new ATOM 0 HZ2 LYS A 75 18.772 4.729 5.943 1.00 45.44 H new ATOM 0 HZ3 LYS A 75 18.658 4.998 4.271 1.00 45.44 H new ATOM 1183 N GLU A 76 13.120 9.185 5.021 1.00 73.22 N ATOM 1184 CA GLU A 76 12.919 10.046 3.857 1.00 50.03 C ATOM 1185 C GLU A 76 11.978 11.226 4.174 1.00 10.21 C ATOM 1186 O GLU A 76 12.166 12.329 3.650 1.00 63.25 O ATOM 1187 CB GLU A 76 12.367 9.209 2.672 1.00 63.01 C ATOM 1188 CG GLU A 76 13.388 8.259 2.008 1.00 24.25 C ATOM 1189 CD GLU A 76 14.627 8.984 1.454 1.00 40.24 C ATOM 1190 OE1 GLU A 76 14.484 9.766 0.488 1.00 44.23 O ATOM 1191 OE2 GLU A 76 15.742 8.777 1.973 1.00 12.55 O ATOM 0 H GLU A 76 12.577 8.322 4.987 1.00 73.22 H new ATOM 0 HA GLU A 76 13.884 10.469 3.579 1.00 50.03 H new ATOM 0 HB2 GLU A 76 11.522 8.618 3.027 1.00 63.01 H new ATOM 0 HB3 GLU A 76 11.983 9.891 1.914 1.00 63.01 H new ATOM 0 HG2 GLU A 76 13.708 7.514 2.737 1.00 24.25 H new ATOM 0 HG3 GLU A 76 12.898 7.721 1.197 1.00 24.25 H new ATOM 1198 N GLY A 77 10.984 10.981 5.045 1.00 72.23 N ATOM 1199 CA GLY A 77 9.933 11.959 5.355 1.00 74.22 C ATOM 1200 C GLY A 77 8.690 11.730 4.496 1.00 62.30 C ATOM 1201 O GLY A 77 8.256 12.617 3.744 1.00 23.43 O ATOM 0 H GLY A 77 10.889 10.101 5.552 1.00 72.23 H new ATOM 0 HA2 GLY A 77 9.667 11.888 6.410 1.00 74.22 H new ATOM 0 HA3 GLY A 77 10.312 12.968 5.189 1.00 74.22 H new ATOM 1205 N VAL A 78 8.149 10.506 4.598 1.00 42.33 N ATOM 1206 CA VAL A 78 6.933 10.052 3.903 1.00 32.24 C ATOM 1207 C VAL A 78 5.971 9.487 4.965 1.00 31.14 C ATOM 1208 O VAL A 78 6.291 8.482 5.616 1.00 22.42 O ATOM 1209 CB VAL A 78 7.241 8.931 2.824 1.00 23.14 C ATOM 1210 CG1 VAL A 78 5.944 8.363 2.192 1.00 52.43 C ATOM 1211 CG2 VAL A 78 8.210 9.438 1.734 1.00 4.12 C ATOM 0 H VAL A 78 8.559 9.780 5.186 1.00 42.33 H new ATOM 0 HA VAL A 78 6.496 10.897 3.371 1.00 32.24 H new ATOM 0 HB VAL A 78 7.733 8.115 3.353 1.00 23.14 H new ATOM 0 HG11 VAL A 78 6.201 7.598 1.459 1.00 52.43 H new ATOM 0 HG12 VAL A 78 5.322 7.924 2.972 1.00 52.43 H new ATOM 0 HG13 VAL A 78 5.396 9.167 1.701 1.00 52.43 H new ATOM 0 HG21 VAL A 78 8.396 8.641 1.014 1.00 4.12 H new ATOM 0 HG22 VAL A 78 7.768 10.293 1.223 1.00 4.12 H new ATOM 0 HG23 VAL A 78 9.151 9.738 2.195 1.00 4.12 H new ATOM 1221 N SER A 79 4.822 10.154 5.142 1.00 71.42 N ATOM 1222 CA SER A 79 3.792 9.754 6.110 1.00 10.11 C ATOM 1223 C SER A 79 3.082 8.474 5.630 1.00 52.13 C ATOM 1224 O SER A 79 2.357 8.496 4.629 1.00 62.45 O ATOM 1225 CB SER A 79 2.777 10.911 6.300 1.00 11.51 C ATOM 1226 OG SER A 79 3.447 12.112 6.670 1.00 22.42 O ATOM 0 H SER A 79 4.580 10.992 4.614 1.00 71.42 H new ATOM 0 HA SER A 79 4.261 9.542 7.071 1.00 10.11 H new ATOM 0 HB2 SER A 79 2.221 11.069 5.376 1.00 11.51 H new ATOM 0 HB3 SER A 79 2.051 10.642 7.067 1.00 11.51 H new ATOM 0 HG SER A 79 2.791 12.831 6.784 1.00 22.42 H new ATOM 1232 N TYR A 80 3.309 7.359 6.330 1.00 43.50 N ATOM 1233 CA TYR A 80 2.732 6.059 5.974 1.00 43.11 C ATOM 1234 C TYR A 80 1.709 5.634 7.034 1.00 25.42 C ATOM 1235 O TYR A 80 1.947 5.790 8.238 1.00 22.11 O ATOM 1236 CB TYR A 80 3.860 4.999 5.803 1.00 73.32 C ATOM 1237 CG TYR A 80 4.770 4.796 7.035 1.00 12.12 C ATOM 1238 CD1 TYR A 80 5.895 5.600 7.243 1.00 44.02 C ATOM 1239 CD2 TYR A 80 4.496 3.818 7.991 1.00 11.23 C ATOM 1240 CE1 TYR A 80 6.707 5.431 8.346 1.00 13.31 C ATOM 1241 CE2 TYR A 80 5.303 3.655 9.097 1.00 14.32 C ATOM 1242 CZ TYR A 80 6.405 4.462 9.271 1.00 61.44 C ATOM 1243 OH TYR A 80 7.210 4.291 10.374 1.00 53.51 O ATOM 0 H TYR A 80 3.899 7.332 7.161 1.00 43.50 H new ATOM 0 HA TYR A 80 2.211 6.141 5.020 1.00 43.11 H new ATOM 0 HB2 TYR A 80 3.402 4.043 5.549 1.00 73.32 H new ATOM 0 HB3 TYR A 80 4.482 5.289 4.956 1.00 73.32 H new ATOM 0 HD1 TYR A 80 6.134 6.370 6.525 1.00 44.02 H new ATOM 0 HD2 TYR A 80 3.636 3.177 7.863 1.00 11.23 H new ATOM 0 HE1 TYR A 80 7.576 6.058 8.481 1.00 13.31 H new ATOM 0 HE2 TYR A 80 5.071 2.894 9.827 1.00 14.32 H new ATOM 0 HH TYR A 80 6.855 3.565 10.928 1.00 53.51 H new ATOM 1253 N ASP A 81 0.557 5.149 6.570 1.00 72.22 N ATOM 1254 CA ASP A 81 -0.455 4.499 7.416 1.00 64.03 C ATOM 1255 C ASP A 81 -0.288 2.988 7.283 1.00 1.23 C ATOM 1256 O ASP A 81 -0.400 2.453 6.177 1.00 33.20 O ATOM 1257 CB ASP A 81 -1.896 4.904 6.992 1.00 51.52 C ATOM 1258 CG ASP A 81 -2.254 6.365 7.313 1.00 3.12 C ATOM 1259 OD1 ASP A 81 -2.504 6.673 8.505 1.00 43.12 O ATOM 1260 OD2 ASP A 81 -2.278 7.216 6.393 1.00 72.41 O ATOM 0 H ASP A 81 0.294 5.195 5.586 1.00 72.22 H new ATOM 0 HA ASP A 81 -0.313 4.817 8.449 1.00 64.03 H new ATOM 0 HB2 ASP A 81 -2.008 4.740 5.920 1.00 51.52 H new ATOM 0 HB3 ASP A 81 -2.609 4.248 7.491 1.00 51.52 H new ATOM 1265 N VAL A 82 -0.035 2.303 8.406 1.00 62.24 N ATOM 1266 CA VAL A 82 0.118 0.839 8.428 1.00 44.30 C ATOM 1267 C VAL A 82 -1.265 0.216 8.707 1.00 65.33 C ATOM 1268 O VAL A 82 -1.912 0.566 9.703 1.00 3.13 O ATOM 1269 CB VAL A 82 1.184 0.368 9.500 1.00 63.42 C ATOM 1270 CG1 VAL A 82 1.470 -1.142 9.367 1.00 1.23 C ATOM 1271 CG2 VAL A 82 2.501 1.180 9.389 1.00 54.13 C ATOM 0 H VAL A 82 0.069 2.743 9.320 1.00 62.24 H new ATOM 0 HA VAL A 82 0.493 0.503 7.461 1.00 44.30 H new ATOM 0 HB VAL A 82 0.757 0.554 10.486 1.00 63.42 H new ATOM 0 HG11 VAL A 82 2.205 -1.440 10.114 1.00 1.23 H new ATOM 0 HG12 VAL A 82 0.548 -1.702 9.522 1.00 1.23 H new ATOM 0 HG13 VAL A 82 1.859 -1.352 8.371 1.00 1.23 H new ATOM 0 HG21 VAL A 82 3.209 0.829 10.140 1.00 54.13 H new ATOM 0 HG22 VAL A 82 2.929 1.045 8.396 1.00 54.13 H new ATOM 0 HG23 VAL A 82 2.292 2.237 9.553 1.00 54.13 H new ATOM 1281 N LEU A 83 -1.713 -0.672 7.811 1.00 31.51 N ATOM 1282 CA LEU A 83 -3.061 -1.253 7.838 1.00 62.34 C ATOM 1283 C LEU A 83 -2.972 -2.772 7.596 1.00 13.10 C ATOM 1284 O LEU A 83 -2.696 -3.202 6.479 1.00 21.52 O ATOM 1285 CB LEU A 83 -3.934 -0.555 6.752 1.00 44.11 C ATOM 1286 CG LEU A 83 -5.390 -1.083 6.568 1.00 1.21 C ATOM 1287 CD1 LEU A 83 -6.261 -0.850 7.826 1.00 44.42 C ATOM 1288 CD2 LEU A 83 -6.036 -0.467 5.303 1.00 10.02 C ATOM 0 H LEU A 83 -1.142 -1.012 7.037 1.00 31.51 H new ATOM 0 HA LEU A 83 -3.525 -1.094 8.811 1.00 62.34 H new ATOM 0 HB2 LEU A 83 -3.986 0.507 6.991 1.00 44.11 H new ATOM 0 HB3 LEU A 83 -3.419 -0.642 5.795 1.00 44.11 H new ATOM 0 HG LEU A 83 -5.333 -2.163 6.430 1.00 1.21 H new ATOM 0 HD11 LEU A 83 -7.266 -1.234 7.649 1.00 44.42 H new ATOM 0 HD12 LEU A 83 -5.818 -1.369 8.676 1.00 44.42 H new ATOM 0 HD13 LEU A 83 -6.313 0.218 8.040 1.00 44.42 H new ATOM 0 HD21 LEU A 83 -7.051 -0.847 5.191 1.00 10.02 H new ATOM 0 HD22 LEU A 83 -6.063 0.618 5.400 1.00 10.02 H new ATOM 0 HD23 LEU A 83 -5.449 -0.738 4.426 1.00 10.02 H new ATOM 1300 N LYS A 84 -3.156 -3.568 8.667 1.00 65.11 N ATOM 1301 CA LYS A 84 -3.219 -5.043 8.580 1.00 12.45 C ATOM 1302 C LYS A 84 -4.674 -5.487 8.771 1.00 20.45 C ATOM 1303 O LYS A 84 -5.227 -5.317 9.862 1.00 71.32 O ATOM 1304 CB LYS A 84 -2.303 -5.738 9.643 1.00 12.42 C ATOM 1305 CG LYS A 84 -0.781 -5.649 9.376 1.00 33.43 C ATOM 1306 CD LYS A 84 -0.170 -4.260 9.671 1.00 62.52 C ATOM 1307 CE LYS A 84 0.103 -3.999 11.169 1.00 14.54 C ATOM 1308 NZ LYS A 84 -1.119 -4.063 12.017 1.00 55.21 N ATOM 0 H LYS A 84 -3.265 -3.209 9.616 1.00 65.11 H new ATOM 0 HA LYS A 84 -2.853 -5.344 7.598 1.00 12.45 H new ATOM 0 HB2 LYS A 84 -2.509 -5.296 10.618 1.00 12.42 H new ATOM 0 HB3 LYS A 84 -2.582 -6.790 9.704 1.00 12.42 H new ATOM 0 HG2 LYS A 84 -0.272 -6.395 9.986 1.00 33.43 H new ATOM 0 HG3 LYS A 84 -0.590 -5.904 8.334 1.00 33.43 H new ATOM 0 HD2 LYS A 84 0.765 -4.161 9.119 1.00 62.52 H new ATOM 0 HD3 LYS A 84 -0.845 -3.491 9.296 1.00 62.52 H new ATOM 0 HE2 LYS A 84 0.825 -4.731 11.531 1.00 14.54 H new ATOM 0 HE3 LYS A 84 0.562 -3.016 11.280 1.00 14.54 H new ATOM 0 HZ1 LYS A 84 -0.947 -3.563 12.912 1.00 55.21 H new ATOM 0 HZ2 LYS A 84 -1.913 -3.614 11.517 1.00 55.21 H new ATOM 0 HZ3 LYS A 84 -1.352 -5.057 12.215 1.00 55.21 H new ATOM 1322 N SER A 85 -5.282 -6.041 7.716 1.00 63.31 N ATOM 1323 CA SER A 85 -6.676 -6.510 7.749 1.00 45.10 C ATOM 1324 C SER A 85 -6.921 -7.564 6.669 1.00 14.11 C ATOM 1325 O SER A 85 -6.332 -7.511 5.584 1.00 35.25 O ATOM 1326 CB SER A 85 -7.653 -5.331 7.565 1.00 71.32 C ATOM 1327 OG SER A 85 -9.007 -5.766 7.559 1.00 55.15 O ATOM 0 H SER A 85 -4.824 -6.178 6.815 1.00 63.31 H new ATOM 0 HA SER A 85 -6.853 -6.963 8.724 1.00 45.10 H new ATOM 0 HB2 SER A 85 -7.507 -4.608 8.368 1.00 71.32 H new ATOM 0 HB3 SER A 85 -7.432 -4.817 6.629 1.00 71.32 H new ATOM 0 HG SER A 85 -9.587 -5.033 7.854 1.00 55.15 H new ATOM 1333 N THR A 86 -7.811 -8.512 6.988 1.00 62.31 N ATOM 1334 CA THR A 86 -8.237 -9.579 6.087 1.00 23.32 C ATOM 1335 C THR A 86 -9.666 -9.313 5.564 1.00 52.22 C ATOM 1336 O THR A 86 -10.186 -10.099 4.773 1.00 45.12 O ATOM 1337 CB THR A 86 -8.170 -10.958 6.826 1.00 34.50 C ATOM 1338 OG1 THR A 86 -8.996 -10.926 8.009 1.00 25.32 O ATOM 1339 CG2 THR A 86 -6.729 -11.324 7.233 1.00 3.21 C ATOM 0 H THR A 86 -8.263 -8.555 7.902 1.00 62.31 H new ATOM 0 HA THR A 86 -7.563 -9.605 5.231 1.00 23.32 H new ATOM 0 HB THR A 86 -8.533 -11.714 6.130 1.00 34.50 H new ATOM 0 HG1 THR A 86 -8.950 -11.793 8.464 1.00 25.32 H new ATOM 0 HG21 THR A 86 -6.728 -12.288 7.743 1.00 3.21 H new ATOM 0 HG22 THR A 86 -6.104 -11.384 6.342 1.00 3.21 H new ATOM 0 HG23 THR A 86 -6.335 -10.559 7.902 1.00 3.21 H new ATOM 1347 N ASP A 87 -10.285 -8.194 5.996 1.00 34.22 N ATOM 1348 CA ASP A 87 -11.659 -7.824 5.593 1.00 21.24 C ATOM 1349 C ASP A 87 -11.625 -7.153 4.211 1.00 61.41 C ATOM 1350 O ASP A 87 -11.093 -6.047 4.100 1.00 72.15 O ATOM 1351 CB ASP A 87 -12.303 -6.845 6.619 1.00 31.35 C ATOM 1352 CG ASP A 87 -12.272 -7.375 8.054 1.00 4.02 C ATOM 1353 OD1 ASP A 87 -13.044 -8.307 8.372 1.00 70.55 O ATOM 1354 OD2 ASP A 87 -11.473 -6.875 8.870 1.00 44.11 O ATOM 0 H ASP A 87 -9.849 -7.525 6.631 1.00 34.22 H new ATOM 0 HA ASP A 87 -12.259 -8.733 5.557 1.00 21.24 H new ATOM 0 HB2 ASP A 87 -11.779 -5.890 6.579 1.00 31.35 H new ATOM 0 HB3 ASP A 87 -13.337 -6.654 6.331 1.00 31.35 H new ATOM 1359 N PRO A 88 -12.187 -7.790 3.130 1.00 43.15 N ATOM 1360 CA PRO A 88 -12.164 -7.216 1.766 1.00 41.20 C ATOM 1361 C PRO A 88 -12.992 -5.924 1.689 1.00 13.10 C ATOM 1362 O PRO A 88 -12.582 -4.965 1.039 1.00 34.10 O ATOM 1363 CB PRO A 88 -12.729 -8.355 0.870 1.00 42.34 C ATOM 1364 CG PRO A 88 -13.563 -9.188 1.791 1.00 71.14 C ATOM 1365 CD PRO A 88 -12.893 -9.103 3.150 1.00 61.45 C ATOM 0 HA PRO A 88 -11.167 -6.913 1.445 1.00 41.20 H new ATOM 0 HB2 PRO A 88 -13.325 -7.954 0.050 1.00 42.34 H new ATOM 0 HB3 PRO A 88 -11.926 -8.942 0.423 1.00 42.34 H new ATOM 0 HG2 PRO A 88 -14.586 -8.815 1.836 1.00 71.14 H new ATOM 0 HG3 PRO A 88 -13.615 -10.220 1.445 1.00 71.14 H new ATOM 0 HD2 PRO A 88 -13.624 -9.150 3.958 1.00 61.45 H new ATOM 0 HD3 PRO A 88 -12.196 -9.927 3.302 1.00 61.45 H new ATOM 1373 N GLU A 89 -14.133 -5.900 2.411 1.00 33.40 N ATOM 1374 CA GLU A 89 -15.031 -4.732 2.456 1.00 21.33 C ATOM 1375 C GLU A 89 -14.314 -3.500 3.047 1.00 62.42 C ATOM 1376 O GLU A 89 -14.392 -2.391 2.477 1.00 21.04 O ATOM 1377 CB GLU A 89 -16.317 -5.060 3.263 1.00 63.42 C ATOM 1378 CG GLU A 89 -16.075 -5.451 4.739 1.00 32.12 C ATOM 1379 CD GLU A 89 -17.364 -5.630 5.551 1.00 2.43 C ATOM 1380 OE1 GLU A 89 -17.974 -4.609 5.945 1.00 2.12 O ATOM 1381 OE2 GLU A 89 -17.774 -6.785 5.810 1.00 4.52 O ATOM 0 H GLU A 89 -14.454 -6.687 2.975 1.00 33.40 H new ATOM 0 HA GLU A 89 -15.320 -4.491 1.433 1.00 21.33 H new ATOM 0 HB2 GLU A 89 -16.977 -4.193 3.235 1.00 63.42 H new ATOM 0 HB3 GLU A 89 -16.842 -5.877 2.767 1.00 63.42 H new ATOM 0 HG2 GLU A 89 -15.505 -6.379 4.770 1.00 32.12 H new ATOM 0 HG3 GLU A 89 -15.462 -4.684 5.212 1.00 32.12 H new ATOM 1388 N GLU A 90 -13.568 -3.720 4.156 1.00 73.42 N ATOM 1389 CA GLU A 90 -12.852 -2.650 4.852 1.00 21.11 C ATOM 1390 C GLU A 90 -11.756 -2.089 3.951 1.00 50.11 C ATOM 1391 O GLU A 90 -11.732 -0.894 3.695 1.00 33.41 O ATOM 1392 CB GLU A 90 -12.254 -3.123 6.201 1.00 30.02 C ATOM 1393 CG GLU A 90 -11.397 -2.039 6.884 1.00 23.03 C ATOM 1394 CD GLU A 90 -10.977 -2.356 8.315 1.00 51.11 C ATOM 1395 OE1 GLU A 90 -10.065 -3.170 8.499 1.00 45.02 O ATOM 1396 OE2 GLU A 90 -11.555 -1.787 9.269 1.00 15.02 O ATOM 0 H GLU A 90 -13.453 -4.640 4.582 1.00 73.42 H new ATOM 0 HA GLU A 90 -13.573 -1.866 5.081 1.00 21.11 H new ATOM 0 HB2 GLU A 90 -13.063 -3.416 6.870 1.00 30.02 H new ATOM 0 HB3 GLU A 90 -11.644 -4.010 6.032 1.00 30.02 H new ATOM 0 HG2 GLU A 90 -10.500 -1.876 6.286 1.00 23.03 H new ATOM 0 HG3 GLU A 90 -11.955 -1.103 6.884 1.00 23.03 H new ATOM 1403 N LEU A 91 -10.892 -2.977 3.439 1.00 55.42 N ATOM 1404 CA LEU A 91 -9.762 -2.578 2.592 1.00 31.42 C ATOM 1405 C LEU A 91 -10.242 -1.792 1.350 1.00 12.43 C ATOM 1406 O LEU A 91 -9.603 -0.813 0.965 1.00 41.54 O ATOM 1407 CB LEU A 91 -8.917 -3.811 2.184 1.00 20.13 C ATOM 1408 CG LEU A 91 -8.236 -4.605 3.345 1.00 31.13 C ATOM 1409 CD1 LEU A 91 -7.440 -5.817 2.801 1.00 2.02 C ATOM 1410 CD2 LEU A 91 -7.342 -3.685 4.207 1.00 51.14 C ATOM 0 H LEU A 91 -10.956 -3.982 3.599 1.00 55.42 H new ATOM 0 HA LEU A 91 -9.125 -1.912 3.174 1.00 31.42 H new ATOM 0 HB2 LEU A 91 -9.559 -4.497 1.632 1.00 20.13 H new ATOM 0 HB3 LEU A 91 -8.140 -3.479 1.496 1.00 20.13 H new ATOM 0 HG LEU A 91 -9.026 -4.991 3.990 1.00 31.13 H new ATOM 0 HD11 LEU A 91 -6.977 -6.351 3.631 1.00 2.02 H new ATOM 0 HD12 LEU A 91 -8.116 -6.488 2.270 1.00 2.02 H new ATOM 0 HD13 LEU A 91 -6.666 -5.467 2.118 1.00 2.02 H new ATOM 0 HD21 LEU A 91 -6.883 -4.268 5.006 1.00 51.14 H new ATOM 0 HD22 LEU A 91 -6.563 -3.247 3.584 1.00 51.14 H new ATOM 0 HD23 LEU A 91 -7.949 -2.890 4.641 1.00 51.14 H new ATOM 1422 N THR A 92 -11.398 -2.195 0.775 1.00 24.44 N ATOM 1423 CA THR A 92 -12.008 -1.500 -0.381 1.00 74.12 C ATOM 1424 C THR A 92 -12.359 -0.041 -0.023 1.00 45.14 C ATOM 1425 O THR A 92 -12.009 0.894 -0.769 1.00 20.21 O ATOM 1426 CB THR A 92 -13.284 -2.250 -0.907 1.00 65.11 C ATOM 1427 OG1 THR A 92 -12.948 -3.589 -1.299 1.00 51.10 O ATOM 1428 CG2 THR A 92 -13.946 -1.549 -2.112 1.00 42.10 C ATOM 0 H THR A 92 -11.930 -3.004 1.096 1.00 24.44 H new ATOM 0 HA THR A 92 -11.267 -1.499 -1.181 1.00 74.12 H new ATOM 0 HB THR A 92 -13.994 -2.248 -0.080 1.00 65.11 H new ATOM 0 HG1 THR A 92 -12.880 -4.156 -0.502 1.00 51.10 H new ATOM 0 HG21 THR A 92 -14.821 -2.117 -2.427 1.00 42.10 H new ATOM 0 HG22 THR A 92 -14.250 -0.542 -1.825 1.00 42.10 H new ATOM 0 HG23 THR A 92 -13.234 -1.492 -2.936 1.00 42.10 H new ATOM 1436 N GLN A 93 -13.021 0.164 1.139 1.00 32.44 N ATOM 1437 CA GLN A 93 -13.405 1.518 1.573 1.00 22.40 C ATOM 1438 C GLN A 93 -12.198 2.325 2.092 1.00 74.32 C ATOM 1439 O GLN A 93 -12.195 3.542 1.986 1.00 35.55 O ATOM 1440 CB GLN A 93 -14.612 1.500 2.566 1.00 64.22 C ATOM 1441 CG GLN A 93 -14.435 0.748 3.907 1.00 62.32 C ATOM 1442 CD GLN A 93 -13.612 1.470 4.990 1.00 43.43 C ATOM 1443 OE1 GLN A 93 -12.949 0.833 5.798 1.00 53.42 O ATOM 1444 NE2 GLN A 93 -13.645 2.796 5.011 1.00 41.41 N ATOM 0 H GLN A 93 -13.295 -0.580 1.780 1.00 32.44 H new ATOM 0 HA GLN A 93 -13.759 2.050 0.690 1.00 22.40 H new ATOM 0 HB2 GLN A 93 -14.873 2.533 2.794 1.00 64.22 H new ATOM 0 HB3 GLN A 93 -15.465 1.063 2.047 1.00 64.22 H new ATOM 0 HG2 GLN A 93 -15.424 0.536 4.313 1.00 62.32 H new ATOM 0 HG3 GLN A 93 -13.962 -0.212 3.701 1.00 62.32 H new ATOM 0 HE21 GLN A 93 -14.206 3.303 4.326 1.00 41.41 H new ATOM 0 HE22 GLN A 93 -13.110 3.308 5.712 1.00 41.41 H new ATOM 1453 N ARG A 94 -11.159 1.648 2.612 1.00 22.11 N ATOM 1454 CA ARG A 94 -9.939 2.327 3.110 1.00 32.22 C ATOM 1455 C ARG A 94 -9.179 2.997 1.956 1.00 11.43 C ATOM 1456 O ARG A 94 -8.648 4.097 2.119 1.00 31.14 O ATOM 1457 CB ARG A 94 -8.999 1.332 3.839 1.00 12.45 C ATOM 1458 CG ARG A 94 -9.544 0.756 5.159 1.00 22.32 C ATOM 1459 CD ARG A 94 -9.741 1.806 6.257 1.00 62.54 C ATOM 1460 NE ARG A 94 -10.261 1.198 7.490 1.00 10.44 N ATOM 1461 CZ ARG A 94 -10.551 1.852 8.617 1.00 13.42 C ATOM 1462 NH1 ARG A 94 -10.379 3.171 8.704 1.00 15.12 N ATOM 1463 NH2 ARG A 94 -11.004 1.175 9.664 1.00 64.20 N ATOM 0 H ARG A 94 -11.135 0.632 2.700 1.00 22.11 H new ATOM 0 HA ARG A 94 -10.259 3.090 3.820 1.00 32.22 H new ATOM 0 HB2 ARG A 94 -8.780 0.505 3.164 1.00 12.45 H new ATOM 0 HB3 ARG A 94 -8.054 1.835 4.044 1.00 12.45 H new ATOM 0 HG2 ARG A 94 -10.497 0.265 4.964 1.00 22.32 H new ATOM 0 HG3 ARG A 94 -8.858 -0.010 5.521 1.00 22.32 H new ATOM 0 HD2 ARG A 94 -8.792 2.300 6.465 1.00 62.54 H new ATOM 0 HD3 ARG A 94 -10.431 2.574 5.909 1.00 62.54 H new ATOM 0 HE ARG A 94 -10.413 0.189 7.484 1.00 10.44 H new ATOM 0 HH11 ARG A 94 -10.022 3.693 7.904 1.00 15.12 H new ATOM 0 HH12 ARG A 94 -10.605 3.659 9.571 1.00 15.12 H new ATOM 0 HH21 ARG A 94 -11.128 0.164 9.603 1.00 64.20 H new ATOM 0 HH22 ARG A 94 -11.229 1.665 10.530 1.00 64.20 H new ATOM 1477 N VAL A 95 -9.129 2.312 0.795 1.00 65.41 N ATOM 1478 CA VAL A 95 -8.432 2.821 -0.400 1.00 11.25 C ATOM 1479 C VAL A 95 -9.141 4.079 -0.940 1.00 71.30 C ATOM 1480 O VAL A 95 -8.488 5.097 -1.166 1.00 72.11 O ATOM 1481 CB VAL A 95 -8.327 1.734 -1.532 1.00 13.42 C ATOM 1482 CG1 VAL A 95 -7.656 2.298 -2.813 1.00 30.25 C ATOM 1483 CG2 VAL A 95 -7.582 0.480 -1.027 1.00 43.42 C ATOM 0 H VAL A 95 -9.566 1.400 0.662 1.00 65.41 H new ATOM 0 HA VAL A 95 -7.418 3.079 -0.096 1.00 11.25 H new ATOM 0 HB VAL A 95 -9.344 1.444 -1.798 1.00 13.42 H new ATOM 0 HG11 VAL A 95 -7.603 1.516 -3.570 1.00 30.25 H new ATOM 0 HG12 VAL A 95 -8.244 3.133 -3.194 1.00 30.25 H new ATOM 0 HG13 VAL A 95 -6.649 2.642 -2.575 1.00 30.25 H new ATOM 0 HG21 VAL A 95 -7.523 -0.256 -1.829 1.00 43.42 H new ATOM 0 HG22 VAL A 95 -6.575 0.756 -0.714 1.00 43.42 H new ATOM 0 HG23 VAL A 95 -8.121 0.053 -0.181 1.00 43.42 H new ATOM 1493 N ARG A 96 -10.478 4.011 -1.114 1.00 71.21 N ATOM 1494 CA ARG A 96 -11.249 5.144 -1.687 1.00 72.35 C ATOM 1495 C ARG A 96 -11.249 6.359 -0.743 1.00 0.44 C ATOM 1496 O ARG A 96 -11.137 7.494 -1.206 1.00 73.42 O ATOM 1497 CB ARG A 96 -12.704 4.757 -2.036 1.00 22.42 C ATOM 1498 CG ARG A 96 -13.547 4.223 -0.872 1.00 44.21 C ATOM 1499 CD ARG A 96 -15.021 4.005 -1.254 1.00 54.13 C ATOM 1500 NE ARG A 96 -15.171 3.216 -2.494 1.00 42.10 N ATOM 1501 CZ ARG A 96 -16.306 2.647 -2.937 1.00 33.35 C ATOM 1502 NH1 ARG A 96 -17.446 2.753 -2.249 1.00 41.32 N ATOM 1503 NH2 ARG A 96 -16.302 2.021 -4.108 1.00 60.13 N ATOM 0 H ARG A 96 -11.043 3.197 -0.871 1.00 71.21 H new ATOM 0 HA ARG A 96 -10.743 5.412 -2.614 1.00 72.35 H new ATOM 0 HB2 ARG A 96 -13.204 5.632 -2.451 1.00 22.42 H new ATOM 0 HB3 ARG A 96 -12.681 4.001 -2.821 1.00 22.42 H new ATOM 0 HG2 ARG A 96 -13.123 3.281 -0.525 1.00 44.21 H new ATOM 0 HG3 ARG A 96 -13.492 4.923 -0.039 1.00 44.21 H new ATOM 0 HD2 ARG A 96 -15.533 3.495 -0.438 1.00 54.13 H new ATOM 0 HD3 ARG A 96 -15.507 4.972 -1.381 1.00 54.13 H new ATOM 0 HE ARG A 96 -14.336 3.091 -3.067 1.00 42.10 H new ATOM 0 HH11 ARG A 96 -17.466 3.273 -1.371 1.00 41.32 H new ATOM 0 HH12 ARG A 96 -18.297 2.314 -2.601 1.00 41.32 H new ATOM 0 HH21 ARG A 96 -15.445 1.976 -4.659 1.00 60.13 H new ATOM 0 HH22 ARG A 96 -17.156 1.585 -4.456 1.00 60.13 H new ATOM 1517 N GLU A 97 -11.361 6.103 0.577 1.00 14.50 N ATOM 1518 CA GLU A 97 -11.361 7.170 1.602 1.00 61.31 C ATOM 1519 C GLU A 97 -9.957 7.767 1.765 1.00 31.40 C ATOM 1520 O GLU A 97 -9.817 8.937 2.147 1.00 40.42 O ATOM 1521 CB GLU A 97 -11.911 6.633 2.952 1.00 43.10 C ATOM 1522 CG GLU A 97 -13.392 6.187 2.903 1.00 50.21 C ATOM 1523 CD GLU A 97 -14.345 7.277 2.372 1.00 65.32 C ATOM 1524 OE1 GLU A 97 -14.786 8.137 3.170 1.00 10.04 O ATOM 1525 OE2 GLU A 97 -14.654 7.286 1.155 1.00 2.33 O ATOM 0 H GLU A 97 -11.453 5.162 0.960 1.00 14.50 H new ATOM 0 HA GLU A 97 -12.023 7.969 1.269 1.00 61.31 H new ATOM 0 HB2 GLU A 97 -11.300 5.789 3.270 1.00 43.10 H new ATOM 0 HB3 GLU A 97 -11.802 7.409 3.710 1.00 43.10 H new ATOM 0 HG2 GLU A 97 -13.476 5.303 2.271 1.00 50.21 H new ATOM 0 HG3 GLU A 97 -13.709 5.895 3.904 1.00 50.21 H new ATOM 1532 N PHE A 98 -8.931 6.950 1.452 1.00 54.12 N ATOM 1533 CA PHE A 98 -7.536 7.416 1.382 1.00 33.11 C ATOM 1534 C PHE A 98 -7.376 8.398 0.206 1.00 75.42 C ATOM 1535 O PHE A 98 -6.871 9.493 0.384 1.00 13.42 O ATOM 1536 CB PHE A 98 -6.527 6.240 1.230 1.00 2.44 C ATOM 1537 CG PHE A 98 -5.063 6.698 1.213 1.00 22.54 C ATOM 1538 CD1 PHE A 98 -4.374 6.913 2.406 1.00 65.55 C ATOM 1539 CD2 PHE A 98 -4.394 6.964 0.009 1.00 12.53 C ATOM 1540 CE1 PHE A 98 -3.073 7.368 2.395 1.00 61.10 C ATOM 1541 CE2 PHE A 98 -3.092 7.415 0.005 1.00 74.32 C ATOM 1542 CZ PHE A 98 -2.435 7.622 1.197 1.00 73.22 C ATOM 0 H PHE A 98 -9.046 5.958 1.243 1.00 54.12 H new ATOM 0 HA PHE A 98 -7.310 7.918 2.323 1.00 33.11 H new ATOM 0 HB2 PHE A 98 -6.672 5.537 2.051 1.00 2.44 H new ATOM 0 HB3 PHE A 98 -6.743 5.701 0.307 1.00 2.44 H new ATOM 0 HD1 PHE A 98 -4.865 6.721 3.349 1.00 65.55 H new ATOM 0 HD2 PHE A 98 -4.907 6.813 -0.929 1.00 12.53 H new ATOM 0 HE1 PHE A 98 -2.551 7.526 3.327 1.00 61.10 H new ATOM 0 HE2 PHE A 98 -2.588 7.606 -0.931 1.00 74.32 H new ATOM 0 HZ PHE A 98 -1.418 7.984 1.195 1.00 73.22 H new ATOM 1552 N LEU A 99 -7.821 7.966 -0.988 1.00 22.25 N ATOM 1553 CA LEU A 99 -7.737 8.757 -2.241 1.00 52.53 C ATOM 1554 C LEU A 99 -8.617 10.028 -2.160 1.00 11.00 C ATOM 1555 O LEU A 99 -8.339 11.043 -2.815 1.00 5.31 O ATOM 1556 CB LEU A 99 -8.170 7.859 -3.438 1.00 5.51 C ATOM 1557 CG LEU A 99 -7.299 6.578 -3.684 1.00 12.31 C ATOM 1558 CD1 LEU A 99 -7.956 5.624 -4.722 1.00 40.34 C ATOM 1559 CD2 LEU A 99 -5.846 6.948 -4.081 1.00 74.12 C ATOM 0 H LEU A 99 -8.253 7.051 -1.117 1.00 22.25 H new ATOM 0 HA LEU A 99 -6.708 9.086 -2.387 1.00 52.53 H new ATOM 0 HB2 LEU A 99 -9.202 7.548 -3.279 1.00 5.51 H new ATOM 0 HB3 LEU A 99 -8.156 8.464 -4.345 1.00 5.51 H new ATOM 0 HG LEU A 99 -7.249 6.034 -2.741 1.00 12.31 H new ATOM 0 HD11 LEU A 99 -7.322 4.749 -4.864 1.00 40.34 H new ATOM 0 HD12 LEU A 99 -8.934 5.308 -4.358 1.00 40.34 H new ATOM 0 HD13 LEU A 99 -8.074 6.145 -5.672 1.00 40.34 H new ATOM 0 HD21 LEU A 99 -5.270 6.037 -4.244 1.00 74.12 H new ATOM 0 HD22 LEU A 99 -5.858 7.538 -4.997 1.00 74.12 H new ATOM 0 HD23 LEU A 99 -5.387 7.529 -3.281 1.00 74.12 H new ATOM 1571 N LYS A 100 -9.671 9.936 -1.332 1.00 21.10 N ATOM 1572 CA LYS A 100 -10.635 11.021 -1.076 1.00 12.20 C ATOM 1573 C LYS A 100 -9.997 12.121 -0.204 1.00 62.10 C ATOM 1574 O LYS A 100 -10.165 13.313 -0.483 1.00 54.02 O ATOM 1575 CB LYS A 100 -11.887 10.420 -0.385 1.00 72.22 C ATOM 1576 CG LYS A 100 -13.030 11.407 -0.070 1.00 61.54 C ATOM 1577 CD LYS A 100 -14.222 10.704 0.613 1.00 30.51 C ATOM 1578 CE LYS A 100 -15.360 11.659 0.982 1.00 0.04 C ATOM 1579 NZ LYS A 100 -16.455 10.935 1.680 1.00 54.04 N ATOM 0 H LYS A 100 -9.882 9.086 -0.810 1.00 21.10 H new ATOM 0 HA LYS A 100 -10.929 11.483 -2.019 1.00 12.20 H new ATOM 0 HB2 LYS A 100 -12.283 9.629 -1.022 1.00 72.22 H new ATOM 0 HB3 LYS A 100 -11.572 9.951 0.547 1.00 72.22 H new ATOM 0 HG2 LYS A 100 -12.657 12.201 0.577 1.00 61.54 H new ATOM 0 HG3 LYS A 100 -13.367 11.880 -0.993 1.00 61.54 H new ATOM 0 HD2 LYS A 100 -14.607 9.931 -0.051 1.00 30.51 H new ATOM 0 HD3 LYS A 100 -13.871 10.203 1.515 1.00 30.51 H new ATOM 0 HE2 LYS A 100 -14.979 12.455 1.622 1.00 0.04 H new ATOM 0 HE3 LYS A 100 -15.749 12.133 0.081 1.00 0.04 H new ATOM 0 HZ1 LYS A 100 -17.215 11.603 1.920 1.00 54.04 H new ATOM 0 HZ2 LYS A 100 -16.831 10.191 1.058 1.00 54.04 H new ATOM 0 HZ3 LYS A 100 -16.086 10.503 2.551 1.00 54.04 H new ATOM 1593 N THR A 101 -9.271 11.699 0.856 1.00 23.44 N ATOM 1594 CA THR A 101 -8.571 12.631 1.774 1.00 23.34 C ATOM 1595 C THR A 101 -7.210 13.066 1.190 1.00 41.25 C ATOM 1596 O THR A 101 -6.684 14.124 1.553 1.00 4.55 O ATOM 1597 CB THR A 101 -8.380 12.010 3.211 1.00 1.30 C ATOM 1598 OG1 THR A 101 -8.008 13.033 4.157 1.00 64.43 O ATOM 1599 CG2 THR A 101 -7.331 10.875 3.254 1.00 23.45 C ATOM 0 H THR A 101 -9.153 10.715 1.099 1.00 23.44 H new ATOM 0 HA THR A 101 -9.204 13.513 1.876 1.00 23.34 H new ATOM 0 HB THR A 101 -9.342 11.574 3.479 1.00 1.30 H new ATOM 0 HG1 THR A 101 -7.895 12.633 5.044 1.00 64.43 H new ATOM 0 HG21 THR A 101 -7.250 10.493 4.272 1.00 23.45 H new ATOM 0 HG22 THR A 101 -7.639 10.069 2.588 1.00 23.45 H new ATOM 0 HG23 THR A 101 -6.364 11.261 2.933 1.00 23.45 H new ATOM 1607 N ALA A 102 -6.662 12.250 0.274 1.00 12.30 N ATOM 1608 CA ALA A 102 -5.388 12.533 -0.403 1.00 41.55 C ATOM 1609 C ALA A 102 -5.592 13.663 -1.410 1.00 52.53 C ATOM 1610 O ALA A 102 -4.738 14.543 -1.558 1.00 53.52 O ATOM 1611 CB ALA A 102 -4.857 11.280 -1.108 1.00 53.15 C ATOM 0 H ALA A 102 -7.093 11.373 -0.018 1.00 12.30 H new ATOM 0 HA ALA A 102 -4.651 12.838 0.340 1.00 41.55 H new ATOM 0 HB1 ALA A 102 -3.914 11.513 -1.602 1.00 53.15 H new ATOM 0 HB2 ALA A 102 -4.697 10.490 -0.374 1.00 53.15 H new ATOM 0 HB3 ALA A 102 -5.582 10.945 -1.850 1.00 53.15 H new