USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 692 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 66 THR OG1 : rot 111:sc= -4.15! USER MOD Set 1.2: A 69 GLN : amide:sc= -7! C(o=-11!,f=-12!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.327 USER MOD Single : A 4 ASN :FLIP amide:sc= -0.57 F(o=-2.1!,f=-0.57) USER MOD Single : A 5 SER OG : rot -18:sc= 0.49 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN :FLIP amide:sc= -0.0145 F(o=-0.72,f=-0.015) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -150:sc= -0.131 (180deg=-1.15) USER MOD Single : A 27 SER OG : rot -29:sc= 0.652 USER MOD Single : A 31 LYS NZ :NH3+ -162:sc= -0.181 (180deg=-0.793) USER MOD Single : A 34 GLN : amide:sc=-0.00873 K(o=-0.0087,f=-0.56) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 41 HIS : no HD1:sc=-0.00559 X(o=-0.0056,f=-0.1) USER MOD Single : A 43 SER OG : rot 128:sc= -0.324 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -37:sc= 0.23 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 GLN :FLIP amide:sc= -2.91! C(o=-4.7!,f=-2.9!) USER MOD Single : A 71 GLN :FLIP amide:sc= 0 F(o=-0.52,f=0) USER MOD Single : A 72 ASN : amide:sc= -0.707 K(o=-0.71,f=-2.3!) USER MOD Single : A 74 GLN : amide:sc= -0.0671 K(o=-0.067,f=-1.9) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 SER OG : rot -47:sc= 0.459 USER MOD Single : A 82 LYS NZ :NH3+ 164:sc=-0.00617 (180deg=-0.328) USER MOD Single : A 83 GLN : amide:sc= -7.59! C(o=-7.6!,f=-11!) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot -58:sc= 0.559 USER MOD Single : A 87 LYS NZ :NH3+ 149:sc= -1.22 (180deg=-1.94) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 36.996 6.083 -13.508 1.00 0.00 N ATOM 2 CA GLY A 1 35.751 6.480 -12.794 1.00 0.00 C ATOM 3 C GLY A 1 35.894 7.909 -12.271 1.00 0.00 C ATOM 4 O GLY A 1 36.159 8.130 -11.107 1.00 0.00 O ATOM 0 H1 GLY A 1 36.897 5.111 -13.863 1.00 0.00 H new ATOM 0 H2 GLY A 1 37.159 6.729 -14.307 1.00 0.00 H new ATOM 0 H3 GLY A 1 37.802 6.132 -12.853 1.00 0.00 H new ATOM 0 HA2 GLY A 1 34.896 6.412 -13.467 1.00 0.00 H new ATOM 0 HA3 GLY A 1 35.560 5.796 -11.967 1.00 0.00 H new ATOM 10 N SER A 2 35.720 8.883 -13.123 1.00 0.00 N ATOM 11 CA SER A 2 35.846 10.297 -12.673 1.00 0.00 C ATOM 12 C SER A 2 34.687 10.661 -11.727 1.00 0.00 C ATOM 13 O SER A 2 34.900 11.299 -10.715 1.00 0.00 O ATOM 14 CB SER A 2 35.852 11.232 -13.899 1.00 0.00 C ATOM 15 OG SER A 2 34.664 12.015 -13.916 1.00 0.00 O ATOM 0 H SER A 2 35.496 8.760 -14.110 1.00 0.00 H new ATOM 0 HA SER A 2 36.783 10.417 -12.130 1.00 0.00 H new ATOM 0 HB2 SER A 2 36.726 11.882 -13.867 1.00 0.00 H new ATOM 0 HB3 SER A 2 35.924 10.645 -14.815 1.00 0.00 H new ATOM 0 HG SER A 2 34.674 12.608 -14.696 1.00 0.00 H new ATOM 21 N PRO A 3 33.467 10.275 -12.042 1.00 0.00 N ATOM 22 CA PRO A 3 32.310 10.609 -11.162 1.00 0.00 C ATOM 23 C PRO A 3 32.383 9.880 -9.810 1.00 0.00 C ATOM 24 O PRO A 3 33.397 9.316 -9.453 1.00 0.00 O ATOM 25 CB PRO A 3 31.102 10.140 -12.003 1.00 0.00 C ATOM 26 CG PRO A 3 31.625 9.667 -13.374 1.00 0.00 C ATOM 27 CD PRO A 3 33.147 9.493 -13.268 1.00 0.00 C ATOM 0 HA PRO A 3 32.267 11.664 -10.893 1.00 0.00 H new ATOM 0 HB2 PRO A 3 30.577 9.330 -11.496 1.00 0.00 H new ATOM 0 HB3 PRO A 3 30.387 10.953 -12.129 1.00 0.00 H new ATOM 0 HG2 PRO A 3 31.153 8.726 -13.658 1.00 0.00 H new ATOM 0 HG3 PRO A 3 31.378 10.394 -14.148 1.00 0.00 H new ATOM 0 HD2 PRO A 3 33.431 8.445 -13.169 1.00 0.00 H new ATOM 0 HD3 PRO A 3 33.664 9.882 -14.146 1.00 0.00 H new ATOM 35 N ASN A 4 31.313 9.890 -9.062 1.00 0.00 N ATOM 36 CA ASN A 4 31.321 9.200 -7.742 1.00 0.00 C ATOM 37 C ASN A 4 29.892 9.117 -7.201 1.00 0.00 C ATOM 38 O ASN A 4 29.303 10.111 -6.823 1.00 0.00 O ATOM 39 CB ASN A 4 32.194 9.987 -6.761 1.00 0.00 C ATOM 40 CG ASN A 4 32.269 9.237 -5.429 1.00 0.00 C ATOM 41 OD1 ASN A 4 31.188 9.102 -4.709 1.00 0.00 O flip ATOM 42 ND2 ASN A 4 33.320 8.770 -5.040 1.00 0.00 N flip ATOM 0 H ASN A 4 30.435 10.346 -9.308 1.00 0.00 H new ATOM 0 HA ASN A 4 31.723 8.194 -7.860 1.00 0.00 H new ATOM 0 HB2 ASN A 4 33.194 10.119 -7.173 1.00 0.00 H new ATOM 0 HB3 ASN A 4 31.779 10.983 -6.607 1.00 0.00 H new ATOM 0 HD21 ASN A 4 34.164 8.876 -5.603 1.00 0.00 H new ATOM 0 HD22 ASN A 4 33.359 8.272 -4.151 1.00 0.00 H new ATOM 49 N SER A 5 29.331 7.940 -7.160 1.00 0.00 N ATOM 50 CA SER A 5 27.941 7.796 -6.643 1.00 0.00 C ATOM 51 C SER A 5 27.653 6.319 -6.363 1.00 0.00 C ATOM 52 O SER A 5 26.683 5.766 -6.840 1.00 0.00 O ATOM 53 CB SER A 5 26.953 8.320 -7.685 1.00 0.00 C ATOM 54 OG SER A 5 27.196 9.703 -7.908 1.00 0.00 O ATOM 0 H SER A 5 29.775 7.072 -7.462 1.00 0.00 H new ATOM 0 HA SER A 5 27.834 8.368 -5.722 1.00 0.00 H new ATOM 0 HB2 SER A 5 27.061 7.765 -8.617 1.00 0.00 H new ATOM 0 HB3 SER A 5 25.930 8.169 -7.341 1.00 0.00 H new ATOM 0 HG SER A 5 27.717 10.068 -7.163 1.00 0.00 H new ATOM 60 N TYR A 6 28.488 5.678 -5.593 1.00 0.00 N ATOM 61 CA TYR A 6 28.260 4.238 -5.284 1.00 0.00 C ATOM 62 C TYR A 6 26.990 4.091 -4.446 1.00 0.00 C ATOM 63 O TYR A 6 26.585 2.998 -4.102 1.00 0.00 O ATOM 64 CB TYR A 6 29.456 3.688 -4.502 1.00 0.00 C ATOM 65 CG TYR A 6 29.682 4.530 -3.269 1.00 0.00 C ATOM 66 CD1 TYR A 6 30.490 5.671 -3.339 1.00 0.00 C ATOM 67 CD2 TYR A 6 29.084 4.169 -2.056 1.00 0.00 C ATOM 68 CE1 TYR A 6 30.700 6.451 -2.196 1.00 0.00 C ATOM 69 CE2 TYR A 6 29.294 4.950 -0.912 1.00 0.00 C ATOM 70 CZ TYR A 6 30.102 6.091 -0.983 1.00 0.00 C ATOM 71 OH TYR A 6 30.309 6.860 0.144 1.00 0.00 O ATOM 0 H TYR A 6 29.318 6.088 -5.165 1.00 0.00 H new ATOM 0 HA TYR A 6 28.147 3.680 -6.214 1.00 0.00 H new ATOM 0 HB2 TYR A 6 29.273 2.651 -4.219 1.00 0.00 H new ATOM 0 HB3 TYR A 6 30.348 3.695 -5.129 1.00 0.00 H new ATOM 0 HD1 TYR A 6 30.951 5.949 -4.275 1.00 0.00 H new ATOM 0 HD2 TYR A 6 28.461 3.289 -2.002 1.00 0.00 H new ATOM 0 HE1 TYR A 6 31.324 7.331 -2.250 1.00 0.00 H new ATOM 0 HE2 TYR A 6 28.833 4.672 0.024 1.00 0.00 H new ATOM 0 HH TYR A 6 29.821 6.471 0.900 1.00 0.00 H new ATOM 81 N GLY A 7 26.355 5.182 -4.117 1.00 0.00 N ATOM 82 CA GLY A 7 25.110 5.102 -3.302 1.00 0.00 C ATOM 83 C GLY A 7 24.154 4.091 -3.937 1.00 0.00 C ATOM 84 O GLY A 7 23.176 3.687 -3.341 1.00 0.00 O ATOM 0 H GLY A 7 26.644 6.125 -4.377 1.00 0.00 H new ATOM 0 HA2 GLY A 7 25.348 4.803 -2.281 1.00 0.00 H new ATOM 0 HA3 GLY A 7 24.636 6.082 -3.244 1.00 0.00 H new ATOM 88 N ASP A 8 24.428 3.681 -5.145 1.00 0.00 N ATOM 89 CA ASP A 8 23.536 2.696 -5.819 1.00 0.00 C ATOM 90 C ASP A 8 22.085 3.170 -5.715 1.00 0.00 C ATOM 91 O ASP A 8 21.241 2.497 -5.156 1.00 0.00 O ATOM 92 CB ASP A 8 23.675 1.331 -5.142 1.00 0.00 C ATOM 93 CG ASP A 8 22.858 0.294 -5.913 1.00 0.00 C ATOM 94 OD1 ASP A 8 22.952 0.279 -7.130 1.00 0.00 O ATOM 95 OD2 ASP A 8 22.152 -0.469 -5.274 1.00 0.00 O ATOM 0 H ASP A 8 25.231 3.986 -5.695 1.00 0.00 H new ATOM 0 HA ASP A 8 23.818 2.610 -6.868 1.00 0.00 H new ATOM 0 HB2 ASP A 8 24.723 1.034 -5.111 1.00 0.00 H new ATOM 0 HB3 ASP A 8 23.329 1.388 -4.110 1.00 0.00 H new ATOM 100 N LEU A 9 21.787 4.322 -6.252 1.00 0.00 N ATOM 101 CA LEU A 9 20.392 4.843 -6.190 1.00 0.00 C ATOM 102 C LEU A 9 19.850 4.683 -4.762 1.00 0.00 C ATOM 103 O LEU A 9 18.744 4.227 -4.554 1.00 0.00 O ATOM 104 CB LEU A 9 19.520 4.052 -7.192 1.00 0.00 C ATOM 105 CG LEU A 9 18.452 4.958 -7.821 1.00 0.00 C ATOM 106 CD1 LEU A 9 17.610 4.141 -8.803 1.00 0.00 C ATOM 107 CD2 LEU A 9 17.542 5.526 -6.727 1.00 0.00 C ATOM 0 H LEU A 9 22.453 4.927 -6.733 1.00 0.00 H new ATOM 0 HA LEU A 9 20.371 5.901 -6.453 1.00 0.00 H new ATOM 0 HB2 LEU A 9 20.150 3.629 -7.974 1.00 0.00 H new ATOM 0 HB3 LEU A 9 19.040 3.217 -6.682 1.00 0.00 H new ATOM 0 HG LEU A 9 18.941 5.779 -8.346 1.00 0.00 H new ATOM 0 HD11 LEU A 9 16.851 4.781 -9.251 1.00 0.00 H new ATOM 0 HD12 LEU A 9 18.253 3.738 -9.585 1.00 0.00 H new ATOM 0 HD13 LEU A 9 17.126 3.321 -8.273 1.00 0.00 H new ATOM 0 HD21 LEU A 9 16.786 6.168 -7.179 1.00 0.00 H new ATOM 0 HD22 LEU A 9 17.054 4.707 -6.199 1.00 0.00 H new ATOM 0 HD23 LEU A 9 18.138 6.107 -6.024 1.00 0.00 H new ATOM 119 N GLY A 10 20.626 5.051 -3.777 1.00 0.00 N ATOM 120 CA GLY A 10 20.157 4.917 -2.369 1.00 0.00 C ATOM 121 C GLY A 10 20.069 3.434 -2.001 1.00 0.00 C ATOM 122 O GLY A 10 20.447 3.029 -0.921 1.00 0.00 O ATOM 0 H GLY A 10 21.563 5.438 -3.888 1.00 0.00 H new ATOM 0 HA2 GLY A 10 20.843 5.430 -1.695 1.00 0.00 H new ATOM 0 HA3 GLY A 10 19.182 5.390 -2.252 1.00 0.00 H new ATOM 126 N GLY A 11 19.570 2.624 -2.893 1.00 0.00 N ATOM 127 CA GLY A 11 19.456 1.167 -2.600 1.00 0.00 C ATOM 128 C GLY A 11 18.649 0.489 -3.716 1.00 0.00 C ATOM 129 O GLY A 11 17.959 1.152 -4.465 1.00 0.00 O ATOM 0 H GLY A 11 19.236 2.908 -3.814 1.00 0.00 H new ATOM 0 HA2 GLY A 11 20.447 0.720 -2.529 1.00 0.00 H new ATOM 0 HA3 GLY A 11 18.967 1.015 -1.638 1.00 0.00 H new ATOM 133 N PRO A 12 18.729 -0.818 -3.841 1.00 0.00 N ATOM 134 CA PRO A 12 17.973 -1.533 -4.910 1.00 0.00 C ATOM 135 C PRO A 12 16.454 -1.430 -4.716 1.00 0.00 C ATOM 136 O PRO A 12 15.975 -0.955 -3.705 1.00 0.00 O ATOM 137 CB PRO A 12 18.465 -2.985 -4.744 1.00 0.00 C ATOM 138 CG PRO A 12 19.170 -3.092 -3.382 1.00 0.00 C ATOM 139 CD PRO A 12 19.562 -1.673 -2.942 1.00 0.00 C ATOM 0 HA PRO A 12 18.144 -1.120 -5.904 1.00 0.00 H new ATOM 0 HB2 PRO A 12 17.627 -3.680 -4.796 1.00 0.00 H new ATOM 0 HB3 PRO A 12 19.149 -3.250 -5.550 1.00 0.00 H new ATOM 0 HG2 PRO A 12 18.510 -3.551 -2.646 1.00 0.00 H new ATOM 0 HG3 PRO A 12 20.053 -3.726 -3.458 1.00 0.00 H new ATOM 0 HD2 PRO A 12 19.337 -1.497 -1.890 1.00 0.00 H new ATOM 0 HD3 PRO A 12 20.627 -1.486 -3.076 1.00 0.00 H new ATOM 147 N ILE A 13 15.697 -1.876 -5.682 1.00 0.00 N ATOM 148 CA ILE A 13 14.211 -1.816 -5.570 1.00 0.00 C ATOM 149 C ILE A 13 13.704 -3.091 -4.889 1.00 0.00 C ATOM 150 O ILE A 13 14.222 -4.166 -5.112 1.00 0.00 O ATOM 151 CB ILE A 13 13.606 -1.709 -6.975 1.00 0.00 C ATOM 152 CG1 ILE A 13 14.338 -0.620 -7.770 1.00 0.00 C ATOM 153 CG2 ILE A 13 12.118 -1.360 -6.884 1.00 0.00 C ATOM 154 CD1 ILE A 13 14.382 0.684 -6.964 1.00 0.00 C ATOM 0 H ILE A 13 16.047 -2.282 -6.550 1.00 0.00 H new ATOM 0 HA ILE A 13 13.918 -0.948 -4.979 1.00 0.00 H new ATOM 0 HB ILE A 13 13.717 -2.668 -7.481 1.00 0.00 H new ATOM 0 HG12 ILE A 13 15.352 -0.948 -8.001 1.00 0.00 H new ATOM 0 HG13 ILE A 13 13.832 -0.452 -8.721 1.00 0.00 H new ATOM 0 HG21 ILE A 13 11.699 -1.287 -7.888 1.00 0.00 H new ATOM 0 HG22 ILE A 13 11.595 -2.139 -6.329 1.00 0.00 H new ATOM 0 HG23 ILE A 13 11.999 -0.406 -6.371 1.00 0.00 H new ATOM 0 HD11 ILE A 13 14.904 1.449 -7.538 1.00 0.00 H new ATOM 0 HD12 ILE A 13 13.365 1.017 -6.755 1.00 0.00 H new ATOM 0 HD13 ILE A 13 14.908 0.514 -6.025 1.00 0.00 H new ATOM 166 N ILE A 14 12.714 -2.974 -4.037 1.00 0.00 N ATOM 167 CA ILE A 14 12.181 -4.165 -3.302 1.00 0.00 C ATOM 168 C ILE A 14 10.675 -4.287 -3.541 1.00 0.00 C ATOM 169 O ILE A 14 9.993 -3.300 -3.729 1.00 0.00 O ATOM 170 CB ILE A 14 12.438 -3.950 -1.807 1.00 0.00 C ATOM 171 CG1 ILE A 14 13.946 -3.830 -1.577 1.00 0.00 C ATOM 172 CG2 ILE A 14 11.894 -5.131 -1.001 1.00 0.00 C ATOM 173 CD1 ILE A 14 14.212 -3.395 -0.136 1.00 0.00 C ATOM 0 H ILE A 14 12.247 -2.094 -3.817 1.00 0.00 H new ATOM 0 HA ILE A 14 12.671 -5.074 -3.651 1.00 0.00 H new ATOM 0 HB ILE A 14 11.934 -3.040 -1.481 1.00 0.00 H new ATOM 0 HG12 ILE A 14 14.431 -4.786 -1.774 1.00 0.00 H new ATOM 0 HG13 ILE A 14 14.373 -3.106 -2.271 1.00 0.00 H new ATOM 0 HG21 ILE A 14 12.083 -4.966 0.060 1.00 0.00 H new ATOM 0 HG22 ILE A 14 10.821 -5.222 -1.168 1.00 0.00 H new ATOM 0 HG23 ILE A 14 12.390 -6.048 -1.319 1.00 0.00 H new ATOM 0 HD11 ILE A 14 15.287 -3.310 0.026 1.00 0.00 H new ATOM 0 HD12 ILE A 14 13.740 -2.429 0.046 1.00 0.00 H new ATOM 0 HD13 ILE A 14 13.799 -4.135 0.550 1.00 0.00 H new ATOM 185 N THR A 15 10.145 -5.486 -3.515 1.00 0.00 N ATOM 186 CA THR A 15 8.677 -5.688 -3.715 1.00 0.00 C ATOM 187 C THR A 15 8.147 -6.537 -2.559 1.00 0.00 C ATOM 188 O THR A 15 8.760 -7.503 -2.150 1.00 0.00 O ATOM 189 CB THR A 15 8.432 -6.419 -5.038 1.00 0.00 C ATOM 190 OG1 THR A 15 9.289 -5.889 -6.038 1.00 0.00 O ATOM 191 CG2 THR A 15 6.973 -6.240 -5.464 1.00 0.00 C ATOM 0 H THR A 15 10.675 -6.344 -3.362 1.00 0.00 H new ATOM 0 HA THR A 15 8.167 -4.725 -3.743 1.00 0.00 H new ATOM 0 HB THR A 15 8.640 -7.481 -4.908 1.00 0.00 H new ATOM 0 HG1 THR A 15 9.133 -6.358 -6.884 1.00 0.00 H new ATOM 0 HG21 THR A 15 6.802 -6.761 -6.406 1.00 0.00 H new ATOM 0 HG22 THR A 15 6.317 -6.652 -4.697 1.00 0.00 H new ATOM 0 HG23 THR A 15 6.759 -5.179 -5.593 1.00 0.00 H new ATOM 199 N THR A 16 7.009 -6.182 -2.033 1.00 0.00 N ATOM 200 CA THR A 16 6.414 -6.954 -0.900 1.00 0.00 C ATOM 201 C THR A 16 4.905 -7.061 -1.127 1.00 0.00 C ATOM 202 O THR A 16 4.304 -6.151 -1.663 1.00 0.00 O ATOM 203 CB THR A 16 6.688 -6.216 0.417 1.00 0.00 C ATOM 204 OG1 THR A 16 6.030 -6.888 1.481 1.00 0.00 O ATOM 205 CG2 THR A 16 6.176 -4.777 0.325 1.00 0.00 C ATOM 0 H THR A 16 6.457 -5.381 -2.341 1.00 0.00 H new ATOM 0 HA THR A 16 6.854 -7.950 -0.848 1.00 0.00 H new ATOM 0 HB THR A 16 7.762 -6.201 0.603 1.00 0.00 H new ATOM 0 HG1 THR A 16 6.206 -6.418 2.323 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.374 -4.260 1.264 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.686 -4.261 -0.488 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.103 -4.784 0.134 1.00 0.00 H new ATOM 213 N GLN A 17 4.283 -8.156 -0.738 1.00 0.00 N ATOM 214 CA GLN A 17 2.800 -8.295 -0.958 1.00 0.00 C ATOM 215 C GLN A 17 2.065 -8.272 0.382 1.00 0.00 C ATOM 216 O GLN A 17 2.557 -8.754 1.383 1.00 0.00 O ATOM 217 CB GLN A 17 2.502 -9.606 -1.689 1.00 0.00 C ATOM 218 CG GLN A 17 3.068 -9.543 -3.108 1.00 0.00 C ATOM 219 CD GLN A 17 2.993 -10.930 -3.750 1.00 0.00 C ATOM 220 OE1 GLN A 17 3.325 -11.978 -3.047 1.00 0.00 O flip ATOM 221 NE2 GLN A 17 2.630 -11.060 -4.902 1.00 0.00 N flip ATOM 0 H GLN A 17 4.732 -8.951 -0.283 1.00 0.00 H new ATOM 0 HA GLN A 17 2.455 -7.459 -1.566 1.00 0.00 H new ATOM 0 HB2 GLN A 17 2.942 -10.444 -1.148 1.00 0.00 H new ATOM 0 HB3 GLN A 17 1.426 -9.779 -1.723 1.00 0.00 H new ATOM 0 HG2 GLN A 17 2.505 -8.824 -3.704 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.101 -9.197 -3.084 1.00 0.00 H new ATOM 0 HE21 GLN A 17 2.371 -10.240 -5.451 1.00 0.00 H new ATOM 0 HE22 GLN A 17 2.584 -11.989 -5.321 1.00 0.00 H new ATOM 230 N VAL A 18 0.882 -7.703 0.400 1.00 0.00 N ATOM 231 CA VAL A 18 0.077 -7.615 1.658 1.00 0.00 C ATOM 232 C VAL A 18 -1.313 -8.199 1.397 1.00 0.00 C ATOM 233 O VAL A 18 -1.781 -8.225 0.275 1.00 0.00 O ATOM 234 CB VAL A 18 -0.076 -6.134 2.036 1.00 0.00 C ATOM 235 CG1 VAL A 18 -0.577 -6.017 3.478 1.00 0.00 C ATOM 236 CG2 VAL A 18 1.278 -5.433 1.910 1.00 0.00 C ATOM 0 H VAL A 18 0.435 -7.290 -0.418 1.00 0.00 H new ATOM 0 HA VAL A 18 0.570 -8.164 2.460 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.795 -5.664 1.365 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.684 -4.965 3.742 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.543 -6.514 3.569 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.139 -6.489 4.151 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.170 -4.382 2.178 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.996 -5.906 2.579 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.634 -5.511 0.883 1.00 0.00 H new ATOM 246 N THR A 19 -1.979 -8.660 2.427 1.00 0.00 N ATOM 247 CA THR A 19 -3.351 -9.238 2.263 1.00 0.00 C ATOM 248 C THR A 19 -4.304 -8.502 3.212 1.00 0.00 C ATOM 249 O THR A 19 -4.023 -8.341 4.384 1.00 0.00 O ATOM 250 CB THR A 19 -3.316 -10.734 2.601 1.00 0.00 C ATOM 251 OG1 THR A 19 -2.125 -11.305 2.075 1.00 0.00 O ATOM 252 CG2 THR A 19 -4.529 -11.437 1.987 1.00 0.00 C ATOM 0 H THR A 19 -1.628 -8.661 3.385 1.00 0.00 H new ATOM 0 HA THR A 19 -3.695 -9.120 1.235 1.00 0.00 H new ATOM 0 HB THR A 19 -3.340 -10.859 3.684 1.00 0.00 H new ATOM 0 HG1 THR A 19 -2.098 -12.261 2.290 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.497 -12.499 2.232 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.444 -11.000 2.387 1.00 0.00 H new ATOM 0 HG23 THR A 19 -4.512 -11.313 0.904 1.00 0.00 H new ATOM 260 N ILE A 20 -5.421 -8.043 2.704 1.00 0.00 N ATOM 261 CA ILE A 20 -6.415 -7.292 3.547 1.00 0.00 C ATOM 262 C ILE A 20 -7.798 -7.970 3.402 1.00 0.00 C ATOM 263 O ILE A 20 -8.235 -8.202 2.292 1.00 0.00 O ATOM 264 CB ILE A 20 -6.517 -5.831 3.019 1.00 0.00 C ATOM 265 CG1 ILE A 20 -6.039 -5.782 1.564 1.00 0.00 C ATOM 266 CG2 ILE A 20 -5.650 -4.890 3.864 1.00 0.00 C ATOM 267 CD1 ILE A 20 -6.375 -4.432 0.944 1.00 0.00 C ATOM 0 H ILE A 20 -5.694 -8.156 1.728 1.00 0.00 H new ATOM 0 HA ILE A 20 -6.101 -7.293 4.591 1.00 0.00 H new ATOM 0 HB ILE A 20 -7.556 -5.508 3.084 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -4.963 -5.952 1.521 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -6.511 -6.581 0.992 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -5.735 -3.874 3.479 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -5.989 -4.915 4.900 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.610 -5.211 3.814 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -6.030 -4.410 -0.090 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -7.454 -4.278 0.970 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -5.882 -3.640 1.508 1.00 0.00 H new ATOM 279 N PRO A 21 -8.511 -8.266 4.471 1.00 0.00 N ATOM 280 CA PRO A 21 -9.853 -8.886 4.309 1.00 0.00 C ATOM 281 C PRO A 21 -10.772 -8.005 3.444 1.00 0.00 C ATOM 282 O PRO A 21 -10.850 -6.806 3.627 1.00 0.00 O ATOM 283 CB PRO A 21 -10.366 -9.001 5.760 1.00 0.00 C ATOM 284 CG PRO A 21 -9.259 -8.501 6.712 1.00 0.00 C ATOM 285 CD PRO A 21 -8.059 -8.022 5.871 1.00 0.00 C ATOM 0 HA PRO A 21 -9.825 -9.848 3.797 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -11.272 -8.409 5.889 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -10.625 -10.035 5.990 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.634 -7.687 7.332 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.952 -9.300 7.387 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.838 -6.969 6.046 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.153 -8.581 6.106 1.00 0.00 H new ATOM 293 N LYS A 22 -11.438 -8.593 2.490 1.00 0.00 N ATOM 294 CA LYS A 22 -12.329 -7.823 1.583 1.00 0.00 C ATOM 295 C LYS A 22 -13.108 -6.736 2.341 1.00 0.00 C ATOM 296 O LYS A 22 -13.284 -5.640 1.846 1.00 0.00 O ATOM 297 CB LYS A 22 -13.306 -8.800 0.929 1.00 0.00 C ATOM 298 CG LYS A 22 -14.320 -8.032 0.077 1.00 0.00 C ATOM 299 CD LYS A 22 -14.969 -8.979 -0.956 1.00 0.00 C ATOM 300 CE LYS A 22 -14.125 -9.025 -2.236 1.00 0.00 C ATOM 301 NZ LYS A 22 -14.076 -7.667 -2.848 1.00 0.00 N ATOM 0 H LYS A 22 -11.400 -9.594 2.299 1.00 0.00 H new ATOM 0 HA LYS A 22 -11.720 -7.322 0.831 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -12.761 -9.511 0.308 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -13.824 -9.377 1.695 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -15.088 -7.597 0.716 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -13.826 -7.206 -0.435 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -15.060 -9.980 -0.535 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -15.978 -8.638 -1.189 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -13.116 -9.369 -2.007 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -14.553 -9.738 -2.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -13.981 -7.755 -3.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -14.952 -7.153 -2.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -13.261 -7.144 -2.468 1.00 0.00 H new ATOM 315 N ASP A 23 -13.598 -7.024 3.516 1.00 0.00 N ATOM 316 CA ASP A 23 -14.383 -5.994 4.261 1.00 0.00 C ATOM 317 C ASP A 23 -13.511 -4.774 4.580 1.00 0.00 C ATOM 318 O ASP A 23 -13.896 -3.637 4.351 1.00 0.00 O ATOM 319 CB ASP A 23 -14.932 -6.594 5.557 1.00 0.00 C ATOM 320 CG ASP A 23 -15.899 -7.732 5.226 1.00 0.00 C ATOM 321 OD1 ASP A 23 -16.790 -7.511 4.422 1.00 0.00 O ATOM 322 OD2 ASP A 23 -15.732 -8.805 5.782 1.00 0.00 O ATOM 0 H ASP A 23 -13.491 -7.920 3.991 1.00 0.00 H new ATOM 0 HA ASP A 23 -15.213 -5.671 3.633 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -14.113 -6.966 6.173 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -15.443 -5.826 6.137 1.00 0.00 H new ATOM 327 N LEU A 24 -12.323 -4.984 5.070 1.00 0.00 N ATOM 328 CA LEU A 24 -11.419 -3.851 5.371 1.00 0.00 C ATOM 329 C LEU A 24 -10.849 -3.339 4.054 1.00 0.00 C ATOM 330 O LEU A 24 -10.361 -2.230 3.962 1.00 0.00 O ATOM 331 CB LEU A 24 -10.269 -4.349 6.268 1.00 0.00 C ATOM 332 CG LEU A 24 -10.661 -4.258 7.748 1.00 0.00 C ATOM 333 CD1 LEU A 24 -11.934 -5.073 8.002 1.00 0.00 C ATOM 334 CD2 LEU A 24 -9.514 -4.796 8.624 1.00 0.00 C ATOM 0 H LEU A 24 -11.939 -5.906 5.276 1.00 0.00 H new ATOM 0 HA LEU A 24 -11.958 -3.055 5.885 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.023 -5.380 6.014 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.374 -3.754 6.086 1.00 0.00 H new ATOM 0 HG LEU A 24 -10.849 -3.215 8.004 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -12.206 -5.004 9.055 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -12.746 -4.679 7.391 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -11.756 -6.116 7.741 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.797 -4.730 9.675 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -9.317 -5.837 8.366 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.616 -4.203 8.452 1.00 0.00 H new ATOM 346 N ALA A 25 -10.889 -4.152 3.036 1.00 0.00 N ATOM 347 CA ALA A 25 -10.330 -3.730 1.733 1.00 0.00 C ATOM 348 C ALA A 25 -11.164 -2.587 1.170 1.00 0.00 C ATOM 349 O ALA A 25 -10.660 -1.664 0.567 1.00 0.00 O ATOM 350 CB ALA A 25 -10.371 -4.906 0.760 1.00 0.00 C ATOM 0 H ALA A 25 -11.286 -5.091 3.055 1.00 0.00 H new ATOM 0 HA ALA A 25 -9.300 -3.400 1.869 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -9.960 -4.598 -0.201 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.780 -5.730 1.160 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -11.403 -5.231 0.625 1.00 0.00 H new ATOM 356 N ARG A 26 -12.454 -2.653 1.370 1.00 0.00 N ATOM 357 CA ARG A 26 -13.336 -1.577 0.851 1.00 0.00 C ATOM 358 C ARG A 26 -13.151 -0.352 1.732 1.00 0.00 C ATOM 359 O ARG A 26 -13.311 0.768 1.291 1.00 0.00 O ATOM 360 CB ARG A 26 -14.795 -2.035 0.855 1.00 0.00 C ATOM 361 CG ARG A 26 -14.954 -3.229 -0.088 1.00 0.00 C ATOM 362 CD ARG A 26 -16.402 -3.722 -0.051 1.00 0.00 C ATOM 363 NE ARG A 26 -17.312 -2.626 -0.487 1.00 0.00 N ATOM 364 CZ ARG A 26 -18.543 -2.897 -0.825 1.00 0.00 C ATOM 365 NH1 ARG A 26 -18.974 -4.128 -0.785 1.00 0.00 N ATOM 366 NH2 ARG A 26 -19.342 -1.938 -1.205 1.00 0.00 N ATOM 0 H ARG A 26 -12.930 -3.404 1.869 1.00 0.00 H new ATOM 0 HA ARG A 26 -13.072 -1.336 -0.179 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -15.098 -2.312 1.865 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -15.445 -1.219 0.539 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -14.683 -2.942 -1.104 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -14.278 -4.031 0.208 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -16.519 -4.587 -0.703 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -16.662 -4.045 0.957 1.00 0.00 H new ATOM 0 HE ARG A 26 -16.973 -1.665 -0.521 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -18.349 -4.878 -0.490 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -19.936 -4.340 -1.049 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -19.005 -0.976 -1.238 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -20.304 -2.150 -1.469 1.00 0.00 H new ATOM 380 N SER A 27 -12.798 -0.547 2.973 1.00 0.00 N ATOM 381 CA SER A 27 -12.584 0.616 3.873 1.00 0.00 C ATOM 382 C SER A 27 -11.265 1.303 3.502 1.00 0.00 C ATOM 383 O SER A 27 -11.110 2.495 3.676 1.00 0.00 O ATOM 384 CB SER A 27 -12.507 0.127 5.320 1.00 0.00 C ATOM 385 OG SER A 27 -11.323 -0.641 5.494 1.00 0.00 O ATOM 0 H SER A 27 -12.649 -1.461 3.400 1.00 0.00 H new ATOM 0 HA SER A 27 -13.409 1.320 3.767 1.00 0.00 H new ATOM 0 HB2 SER A 27 -12.507 0.976 6.003 1.00 0.00 H new ATOM 0 HB3 SER A 27 -13.383 -0.475 5.560 1.00 0.00 H new ATOM 0 HG SER A 27 -11.082 -1.067 4.645 1.00 0.00 H new ATOM 391 N ILE A 28 -10.290 0.556 3.036 1.00 0.00 N ATOM 392 CA ILE A 28 -8.967 1.169 2.711 1.00 0.00 C ATOM 393 C ILE A 28 -8.932 1.670 1.264 1.00 0.00 C ATOM 394 O ILE A 28 -8.429 2.736 0.979 1.00 0.00 O ATOM 395 CB ILE A 28 -7.882 0.110 2.897 1.00 0.00 C ATOM 396 CG1 ILE A 28 -7.845 -0.334 4.362 1.00 0.00 C ATOM 397 CG2 ILE A 28 -6.530 0.695 2.505 1.00 0.00 C ATOM 398 CD1 ILE A 28 -7.038 -1.630 4.486 1.00 0.00 C ATOM 0 H ILE A 28 -10.356 -0.448 2.868 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.800 2.019 3.373 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.102 -0.751 2.265 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.397 0.446 4.978 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -8.859 -0.488 4.731 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.755 -0.060 2.637 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -6.558 1.008 1.461 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.309 1.556 3.136 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -7.013 -1.944 5.529 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -7.506 -2.409 3.883 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.021 -1.460 4.134 1.00 0.00 H new ATOM 410 N ILE A 29 -9.440 0.895 0.347 1.00 0.00 N ATOM 411 CA ILE A 29 -9.402 1.327 -1.080 1.00 0.00 C ATOM 412 C ILE A 29 -10.317 2.538 -1.282 1.00 0.00 C ATOM 413 O ILE A 29 -10.027 3.407 -2.074 1.00 0.00 O ATOM 414 CB ILE A 29 -9.846 0.170 -1.986 1.00 0.00 C ATOM 415 CG1 ILE A 29 -8.945 -1.054 -1.748 1.00 0.00 C ATOM 416 CG2 ILE A 29 -9.738 0.599 -3.454 1.00 0.00 C ATOM 417 CD1 ILE A 29 -9.634 -2.310 -2.284 1.00 0.00 C ATOM 0 H ILE A 29 -9.876 -0.011 0.520 1.00 0.00 H new ATOM 0 HA ILE A 29 -8.382 1.609 -1.342 1.00 0.00 H new ATOM 0 HB ILE A 29 -10.879 -0.090 -1.754 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -7.985 -0.914 -2.245 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -8.740 -1.166 -0.683 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -10.053 -0.223 -4.097 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -10.379 1.463 -3.629 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.705 0.862 -3.681 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -8.994 -3.176 -2.115 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.583 -2.453 -1.767 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.816 -2.197 -3.353 1.00 0.00 H new ATOM 429 N GLY A 30 -11.423 2.615 -0.597 1.00 0.00 N ATOM 430 CA GLY A 30 -12.336 3.781 -0.798 1.00 0.00 C ATOM 431 C GLY A 30 -13.304 3.447 -1.934 1.00 0.00 C ATOM 432 O GLY A 30 -13.333 2.336 -2.426 1.00 0.00 O ATOM 0 H GLY A 30 -11.735 1.928 0.089 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -12.886 3.994 0.119 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.761 4.675 -1.040 1.00 0.00 H new ATOM 436 N LYS A 31 -14.101 4.393 -2.361 1.00 0.00 N ATOM 437 CA LYS A 31 -15.066 4.113 -3.469 1.00 0.00 C ATOM 438 C LYS A 31 -14.424 4.459 -4.817 1.00 0.00 C ATOM 439 O LYS A 31 -15.020 4.280 -5.861 1.00 0.00 O ATOM 440 CB LYS A 31 -16.320 4.963 -3.277 1.00 0.00 C ATOM 441 CG LYS A 31 -17.138 4.416 -2.102 1.00 0.00 C ATOM 442 CD LYS A 31 -18.402 5.266 -1.904 1.00 0.00 C ATOM 443 CE LYS A 31 -19.148 4.800 -0.648 1.00 0.00 C ATOM 444 NZ LYS A 31 -19.024 3.322 -0.512 1.00 0.00 N ATOM 0 H LYS A 31 -14.126 5.344 -1.993 1.00 0.00 H new ATOM 0 HA LYS A 31 -15.331 3.056 -3.455 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -16.043 6.000 -3.089 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -16.920 4.954 -4.187 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -17.413 3.378 -2.291 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -16.537 4.426 -1.193 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -18.133 6.318 -1.809 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -19.050 5.180 -2.776 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -18.738 5.292 0.234 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -20.199 5.083 -0.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -19.757 2.970 0.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -19.144 2.876 -1.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -18.085 3.086 -0.134 1.00 0.00 H new ATOM 458 N GLY A 32 -13.218 4.958 -4.807 1.00 0.00 N ATOM 459 CA GLY A 32 -12.544 5.321 -6.090 1.00 0.00 C ATOM 460 C GLY A 32 -11.030 5.205 -5.924 1.00 0.00 C ATOM 461 O GLY A 32 -10.275 5.763 -6.694 1.00 0.00 O ATOM 0 H GLY A 32 -12.668 5.131 -3.965 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -12.884 4.663 -6.890 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -12.812 6.338 -6.378 1.00 0.00 H new ATOM 465 N GLY A 33 -10.570 4.506 -4.926 1.00 0.00 N ATOM 466 CA GLY A 33 -9.097 4.395 -4.736 1.00 0.00 C ATOM 467 C GLY A 33 -8.576 5.716 -4.170 1.00 0.00 C ATOM 468 O GLY A 33 -7.424 5.826 -3.798 1.00 0.00 O ATOM 0 H GLY A 33 -11.141 4.012 -4.241 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.864 3.575 -4.057 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -8.609 4.172 -5.685 1.00 0.00 H new ATOM 472 N GLN A 34 -9.410 6.731 -4.144 1.00 0.00 N ATOM 473 CA GLN A 34 -8.985 8.080 -3.647 1.00 0.00 C ATOM 474 C GLN A 34 -8.005 7.950 -2.472 1.00 0.00 C ATOM 475 O GLN A 34 -7.208 8.834 -2.228 1.00 0.00 O ATOM 476 CB GLN A 34 -10.230 8.821 -3.154 1.00 0.00 C ATOM 477 CG GLN A 34 -9.889 10.294 -2.915 1.00 0.00 C ATOM 478 CD GLN A 34 -11.165 11.063 -2.564 1.00 0.00 C ATOM 479 OE1 GLN A 34 -12.189 10.882 -3.192 1.00 0.00 O ATOM 480 NE2 GLN A 34 -11.146 11.920 -1.581 1.00 0.00 N ATOM 0 H GLN A 34 -10.381 6.680 -4.451 1.00 0.00 H new ATOM 0 HA GLN A 34 -8.493 8.617 -4.458 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -11.031 8.737 -3.889 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -10.595 8.367 -2.232 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -9.164 10.384 -2.106 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -9.428 10.721 -3.806 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -10.286 12.072 -1.054 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -11.991 12.438 -1.340 1.00 0.00 H new ATOM 489 N ARG A 35 -8.063 6.878 -1.722 1.00 0.00 N ATOM 490 CA ARG A 35 -7.137 6.745 -0.553 1.00 0.00 C ATOM 491 C ARG A 35 -5.825 6.097 -0.999 1.00 0.00 C ATOM 492 O ARG A 35 -4.762 6.454 -0.531 1.00 0.00 O ATOM 493 CB ARG A 35 -7.791 5.873 0.534 1.00 0.00 C ATOM 494 CG ARG A 35 -6.968 5.945 1.838 1.00 0.00 C ATOM 495 CD ARG A 35 -7.414 7.144 2.685 1.00 0.00 C ATOM 496 NE ARG A 35 -8.858 7.004 3.022 1.00 0.00 N ATOM 497 CZ ARG A 35 -9.381 7.733 3.971 1.00 0.00 C ATOM 498 NH1 ARG A 35 -8.640 8.590 4.618 1.00 0.00 N ATOM 499 NH2 ARG A 35 -10.645 7.606 4.269 1.00 0.00 N ATOM 0 H ARG A 35 -8.703 6.097 -1.865 1.00 0.00 H new ATOM 0 HA ARG A 35 -6.933 7.737 -0.150 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -8.810 6.212 0.719 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -7.856 4.840 0.192 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -7.093 5.023 2.406 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.907 6.032 1.602 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.820 7.199 3.597 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.245 8.072 2.138 1.00 0.00 H new ATOM 0 HE ARG A 35 -9.439 6.339 2.511 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -7.653 8.690 4.383 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -9.048 9.160 5.359 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -11.224 6.938 3.761 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -11.054 8.175 5.010 1.00 0.00 H new ATOM 513 N ILE A 36 -5.875 5.158 -1.905 1.00 0.00 N ATOM 514 CA ILE A 36 -4.611 4.520 -2.367 1.00 0.00 C ATOM 515 C ILE A 36 -3.853 5.520 -3.259 1.00 0.00 C ATOM 516 O ILE A 36 -2.645 5.469 -3.377 1.00 0.00 O ATOM 517 CB ILE A 36 -4.933 3.202 -3.111 1.00 0.00 C ATOM 518 CG1 ILE A 36 -5.003 2.034 -2.101 1.00 0.00 C ATOM 519 CG2 ILE A 36 -3.872 2.900 -4.182 1.00 0.00 C ATOM 520 CD1 ILE A 36 -3.596 1.508 -1.759 1.00 0.00 C ATOM 0 H ILE A 36 -6.728 4.808 -2.341 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.974 4.265 -1.520 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.898 3.315 -3.606 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.501 2.367 -1.190 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.605 1.226 -2.517 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.122 1.969 -4.690 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.846 3.713 -4.908 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.895 2.804 -3.709 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.678 0.687 -1.047 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.110 1.153 -2.668 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.004 2.311 -1.321 1.00 0.00 H new ATOM 532 N LYS A 37 -4.557 6.435 -3.873 1.00 0.00 N ATOM 533 CA LYS A 37 -3.881 7.441 -4.739 1.00 0.00 C ATOM 534 C LYS A 37 -3.139 8.440 -3.849 1.00 0.00 C ATOM 535 O LYS A 37 -1.975 8.722 -4.053 1.00 0.00 O ATOM 536 CB LYS A 37 -4.930 8.180 -5.574 1.00 0.00 C ATOM 537 CG LYS A 37 -4.232 9.005 -6.665 1.00 0.00 C ATOM 538 CD LYS A 37 -5.277 9.774 -7.520 1.00 0.00 C ATOM 539 CE LYS A 37 -5.356 11.245 -7.081 1.00 0.00 C ATOM 540 NZ LYS A 37 -6.470 11.919 -7.808 1.00 0.00 N ATOM 0 H LYS A 37 -5.571 6.528 -3.811 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.176 6.944 -5.405 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.617 7.466 -6.028 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.525 8.833 -4.935 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.538 9.710 -6.208 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.643 8.348 -7.305 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.005 9.717 -8.574 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.255 9.305 -7.417 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -5.519 11.307 -6.005 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -4.413 11.750 -7.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.525 12.915 -7.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.295 11.871 -8.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.367 11.442 -7.587 1.00 0.00 H new ATOM 554 N GLN A 38 -3.800 8.982 -2.862 1.00 0.00 N ATOM 555 CA GLN A 38 -3.124 9.964 -1.965 1.00 0.00 C ATOM 556 C GLN A 38 -1.903 9.307 -1.313 1.00 0.00 C ATOM 557 O GLN A 38 -0.822 9.862 -1.299 1.00 0.00 O ATOM 558 CB GLN A 38 -4.097 10.424 -0.879 1.00 0.00 C ATOM 559 CG GLN A 38 -3.450 11.539 -0.055 1.00 0.00 C ATOM 560 CD GLN A 38 -4.472 12.108 0.930 1.00 0.00 C ATOM 561 OE1 GLN A 38 -5.182 11.369 1.582 1.00 0.00 O ATOM 562 NE2 GLN A 38 -4.578 13.402 1.065 1.00 0.00 N ATOM 0 H GLN A 38 -4.776 8.788 -2.638 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.803 10.825 -2.551 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -5.022 10.781 -1.332 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.361 9.586 -0.234 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -2.586 11.151 0.485 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -3.087 12.328 -0.714 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.982 14.022 0.517 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.257 13.793 1.718 1.00 0.00 H new ATOM 571 N ILE A 39 -2.066 8.130 -0.773 1.00 0.00 N ATOM 572 CA ILE A 39 -0.915 7.440 -0.123 1.00 0.00 C ATOM 573 C ILE A 39 0.211 7.253 -1.143 1.00 0.00 C ATOM 574 O ILE A 39 1.378 7.295 -0.811 1.00 0.00 O ATOM 575 CB ILE A 39 -1.368 6.071 0.391 1.00 0.00 C ATOM 576 CG1 ILE A 39 -2.417 6.262 1.489 1.00 0.00 C ATOM 577 CG2 ILE A 39 -0.168 5.314 0.961 1.00 0.00 C ATOM 578 CD1 ILE A 39 -3.075 4.919 1.806 1.00 0.00 C ATOM 0 H ILE A 39 -2.947 7.616 -0.754 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.554 8.042 0.711 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.799 5.500 -0.431 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.950 6.671 2.385 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.170 6.981 1.166 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.493 4.340 1.326 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.581 5.178 0.180 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.265 5.884 1.783 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.822 5.055 2.588 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.556 4.529 0.909 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.317 4.214 2.147 1.00 0.00 H new ATOM 590 N ARG A 40 -0.134 7.038 -2.382 1.00 0.00 N ATOM 591 CA ARG A 40 0.908 6.836 -3.431 1.00 0.00 C ATOM 592 C ARG A 40 1.845 8.047 -3.482 1.00 0.00 C ATOM 593 O ARG A 40 3.048 7.916 -3.380 1.00 0.00 O ATOM 594 CB ARG A 40 0.233 6.662 -4.794 1.00 0.00 C ATOM 595 CG ARG A 40 1.249 6.141 -5.810 1.00 0.00 C ATOM 596 CD ARG A 40 0.638 6.192 -7.211 1.00 0.00 C ATOM 597 NE ARG A 40 0.532 7.610 -7.655 1.00 0.00 N ATOM 598 CZ ARG A 40 0.317 7.886 -8.913 1.00 0.00 C ATOM 599 NH1 ARG A 40 0.191 6.921 -9.781 1.00 0.00 N ATOM 600 NH2 ARG A 40 0.225 9.129 -9.302 1.00 0.00 N ATOM 0 H ARG A 40 -1.097 6.993 -2.716 1.00 0.00 H new ATOM 0 HA ARG A 40 1.487 5.945 -3.189 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.602 5.966 -4.711 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.178 7.614 -5.131 1.00 0.00 H new ATOM 0 HG2 ARG A 40 2.157 6.744 -5.775 1.00 0.00 H new ATOM 0 HG3 ARG A 40 1.535 5.119 -5.563 1.00 0.00 H new ATOM 0 HD2 ARG A 40 1.255 5.626 -7.909 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.348 5.726 -7.207 1.00 0.00 H new ATOM 0 HE ARG A 40 0.627 8.365 -6.976 1.00 0.00 H new ATOM 0 HH11 ARG A 40 0.260 5.950 -9.477 1.00 0.00 H new ATOM 0 HH12 ARG A 40 0.023 7.138 -10.764 1.00 0.00 H new ATOM 0 HH21 ARG A 40 0.321 9.884 -8.623 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.057 9.345 -10.285 1.00 0.00 H new ATOM 614 N HIS A 41 1.305 9.224 -3.649 1.00 0.00 N ATOM 615 CA HIS A 41 2.173 10.434 -3.720 1.00 0.00 C ATOM 616 C HIS A 41 2.765 10.734 -2.340 1.00 0.00 C ATOM 617 O HIS A 41 3.909 11.123 -2.219 1.00 0.00 O ATOM 618 CB HIS A 41 1.341 11.630 -4.188 1.00 0.00 C ATOM 619 CG HIS A 41 2.235 12.829 -4.350 1.00 0.00 C ATOM 620 ND1 HIS A 41 3.412 12.780 -5.081 1.00 0.00 N ATOM 621 CD2 HIS A 41 2.140 14.116 -3.881 1.00 0.00 C ATOM 622 CE1 HIS A 41 3.971 14.002 -5.033 1.00 0.00 C ATOM 623 NE2 HIS A 41 3.236 14.856 -4.313 1.00 0.00 N ATOM 0 H HIS A 41 0.304 9.400 -3.739 1.00 0.00 H new ATOM 0 HA HIS A 41 2.984 10.252 -4.425 1.00 0.00 H new ATOM 0 HB2 HIS A 41 0.851 11.398 -5.133 1.00 0.00 H new ATOM 0 HB3 HIS A 41 0.554 11.845 -3.465 1.00 0.00 H new ATOM 0 HD2 HIS A 41 1.336 14.496 -3.269 1.00 0.00 H new ATOM 0 HE1 HIS A 41 4.901 14.262 -5.517 1.00 0.00 H new ATOM 0 HE2 HIS A 41 3.436 15.838 -4.122 1.00 0.00 H new ATOM 631 N GLU A 42 1.995 10.564 -1.302 1.00 0.00 N ATOM 632 CA GLU A 42 2.517 10.848 0.067 1.00 0.00 C ATOM 633 C GLU A 42 3.730 9.958 0.353 1.00 0.00 C ATOM 634 O GLU A 42 4.738 10.414 0.855 1.00 0.00 O ATOM 635 CB GLU A 42 1.416 10.582 1.102 1.00 0.00 C ATOM 636 CG GLU A 42 1.747 11.301 2.415 1.00 0.00 C ATOM 637 CD GLU A 42 3.009 10.693 3.030 1.00 0.00 C ATOM 638 OE1 GLU A 42 3.147 9.483 2.975 1.00 0.00 O ATOM 639 OE2 GLU A 42 3.815 11.450 3.547 1.00 0.00 O ATOM 0 H GLU A 42 1.028 10.241 -1.340 1.00 0.00 H new ATOM 0 HA GLU A 42 2.821 11.893 0.129 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.455 10.928 0.720 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.322 9.510 1.278 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.896 12.365 2.231 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.912 11.212 3.110 1.00 0.00 H new ATOM 646 N SER A 43 3.638 8.691 0.051 1.00 0.00 N ATOM 647 CA SER A 43 4.785 7.773 0.324 1.00 0.00 C ATOM 648 C SER A 43 5.763 7.790 -0.852 1.00 0.00 C ATOM 649 O SER A 43 6.923 7.464 -0.708 1.00 0.00 O ATOM 650 CB SER A 43 4.263 6.352 0.533 1.00 0.00 C ATOM 651 OG SER A 43 5.352 5.440 0.480 1.00 0.00 O ATOM 0 H SER A 43 2.821 8.251 -0.372 1.00 0.00 H new ATOM 0 HA SER A 43 5.303 8.109 1.222 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.756 6.276 1.495 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.529 6.105 -0.234 1.00 0.00 H new ATOM 0 HG SER A 43 5.343 4.873 1.279 1.00 0.00 H new ATOM 657 N GLY A 44 5.304 8.154 -2.019 1.00 0.00 N ATOM 658 CA GLY A 44 6.213 8.173 -3.202 1.00 0.00 C ATOM 659 C GLY A 44 6.341 6.749 -3.744 1.00 0.00 C ATOM 660 O GLY A 44 7.018 6.499 -4.722 1.00 0.00 O ATOM 0 H GLY A 44 4.342 8.438 -2.205 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.818 8.836 -3.972 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.192 8.560 -2.920 1.00 0.00 H new ATOM 664 N ALA A 45 5.691 5.815 -3.107 1.00 0.00 N ATOM 665 CA ALA A 45 5.757 4.398 -3.561 1.00 0.00 C ATOM 666 C ALA A 45 4.694 4.143 -4.631 1.00 0.00 C ATOM 667 O ALA A 45 3.729 4.870 -4.759 1.00 0.00 O ATOM 668 CB ALA A 45 5.498 3.475 -2.368 1.00 0.00 C ATOM 0 H ALA A 45 5.111 5.975 -2.283 1.00 0.00 H new ATOM 0 HA ALA A 45 6.744 4.201 -3.979 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.545 2.436 -2.695 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.254 3.649 -1.602 1.00 0.00 H new ATOM 0 HB3 ALA A 45 4.510 3.681 -1.956 1.00 0.00 H new ATOM 674 N SER A 46 4.850 3.068 -5.356 1.00 0.00 N ATOM 675 CA SER A 46 3.838 2.681 -6.386 1.00 0.00 C ATOM 676 C SER A 46 3.065 1.496 -5.808 1.00 0.00 C ATOM 677 O SER A 46 3.631 0.697 -5.088 1.00 0.00 O ATOM 678 CB SER A 46 4.547 2.256 -7.674 1.00 0.00 C ATOM 679 OG SER A 46 5.301 3.351 -8.178 1.00 0.00 O ATOM 0 H SER A 46 5.644 2.433 -5.279 1.00 0.00 H new ATOM 0 HA SER A 46 3.174 3.512 -6.622 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.202 1.407 -7.479 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.816 1.931 -8.415 1.00 0.00 H new ATOM 0 HG SER A 46 5.758 3.082 -9.002 1.00 0.00 H new ATOM 685 N ILE A 47 1.788 1.365 -6.080 1.00 0.00 N ATOM 686 CA ILE A 47 0.998 0.228 -5.504 1.00 0.00 C ATOM 687 C ILE A 47 0.219 -0.486 -6.610 1.00 0.00 C ATOM 688 O ILE A 47 -0.330 0.139 -7.496 1.00 0.00 O ATOM 689 CB ILE A 47 -0.013 0.770 -4.473 1.00 0.00 C ATOM 690 CG1 ILE A 47 0.658 1.777 -3.514 1.00 0.00 C ATOM 691 CG2 ILE A 47 -0.620 -0.390 -3.672 1.00 0.00 C ATOM 692 CD1 ILE A 47 1.624 1.073 -2.549 1.00 0.00 C ATOM 0 H ILE A 47 1.257 1.998 -6.678 1.00 0.00 H new ATOM 0 HA ILE A 47 1.689 -0.468 -5.029 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.805 1.289 -5.014 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.200 2.526 -4.091 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.107 2.305 -2.945 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.333 0.002 -2.947 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.132 -1.072 -4.351 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.173 -0.925 -3.149 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.079 1.810 -1.888 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.076 0.342 -1.955 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.403 0.567 -3.119 1.00 0.00 H new ATOM 704 N LYS A 48 0.160 -1.792 -6.561 1.00 0.00 N ATOM 705 CA LYS A 48 -0.583 -2.580 -7.588 1.00 0.00 C ATOM 706 C LYS A 48 -1.514 -3.549 -6.863 1.00 0.00 C ATOM 707 O LYS A 48 -1.083 -4.324 -6.032 1.00 0.00 O ATOM 708 CB LYS A 48 0.418 -3.367 -8.441 1.00 0.00 C ATOM 709 CG LYS A 48 -0.275 -3.879 -9.705 1.00 0.00 C ATOM 710 CD LYS A 48 0.631 -4.891 -10.414 1.00 0.00 C ATOM 711 CE LYS A 48 1.918 -4.200 -10.879 1.00 0.00 C ATOM 712 NZ LYS A 48 2.571 -5.027 -11.932 1.00 0.00 N ATOM 0 H LYS A 48 0.605 -2.356 -5.837 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.160 -1.919 -8.234 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.262 -2.731 -8.709 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.819 -4.204 -7.870 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.226 -4.345 -9.447 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.499 -3.046 -10.372 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.872 -5.712 -9.739 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.110 -5.323 -11.269 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.691 -3.208 -11.269 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.595 -4.063 -10.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.444 -4.560 -12.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.801 -5.964 -11.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.924 -5.135 -12.739 1.00 0.00 H new ATOM 726 N ILE A 49 -2.788 -3.507 -7.150 1.00 0.00 N ATOM 727 CA ILE A 49 -3.758 -4.412 -6.465 1.00 0.00 C ATOM 728 C ILE A 49 -4.093 -5.586 -7.390 1.00 0.00 C ATOM 729 O ILE A 49 -4.330 -5.408 -8.568 1.00 0.00 O ATOM 730 CB ILE A 49 -5.021 -3.602 -6.148 1.00 0.00 C ATOM 731 CG1 ILE A 49 -4.596 -2.232 -5.601 1.00 0.00 C ATOM 732 CG2 ILE A 49 -5.866 -4.338 -5.103 1.00 0.00 C ATOM 733 CD1 ILE A 49 -5.814 -1.460 -5.091 1.00 0.00 C ATOM 0 H ILE A 49 -3.203 -2.878 -7.837 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.335 -4.809 -5.542 1.00 0.00 H new ATOM 0 HB ILE A 49 -5.617 -3.476 -7.052 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.876 -2.363 -4.793 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -4.096 -1.660 -6.383 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.761 -3.756 -4.883 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.154 -5.315 -5.491 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.284 -4.467 -4.190 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.496 -0.491 -4.707 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.520 -1.312 -5.909 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.296 -2.026 -4.294 1.00 0.00 H new ATOM 745 N ASP A 50 -4.120 -6.787 -6.867 1.00 0.00 N ATOM 746 CA ASP A 50 -4.445 -7.977 -7.712 1.00 0.00 C ATOM 747 C ASP A 50 -5.935 -8.288 -7.573 1.00 0.00 C ATOM 748 O ASP A 50 -6.541 -8.000 -6.560 1.00 0.00 O ATOM 749 CB ASP A 50 -3.631 -9.178 -7.226 1.00 0.00 C ATOM 750 CG ASP A 50 -3.825 -10.351 -8.188 1.00 0.00 C ATOM 751 OD1 ASP A 50 -3.583 -10.169 -9.369 1.00 0.00 O ATOM 752 OD2 ASP A 50 -4.213 -11.411 -7.727 1.00 0.00 O ATOM 0 H ASP A 50 -3.930 -6.995 -5.887 1.00 0.00 H new ATOM 0 HA ASP A 50 -4.204 -7.771 -8.755 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.575 -8.914 -7.166 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -3.946 -9.462 -6.222 1.00 0.00 H new ATOM 757 N GLU A 51 -6.533 -8.885 -8.567 1.00 0.00 N ATOM 758 CA GLU A 51 -7.981 -9.222 -8.464 1.00 0.00 C ATOM 759 C GLU A 51 -8.160 -10.309 -7.389 1.00 0.00 C ATOM 760 O GLU A 51 -7.251 -11.074 -7.134 1.00 0.00 O ATOM 761 CB GLU A 51 -8.456 -9.754 -9.826 1.00 0.00 C ATOM 762 CG GLU A 51 -8.752 -8.582 -10.767 1.00 0.00 C ATOM 763 CD GLU A 51 -9.074 -9.118 -12.164 1.00 0.00 C ATOM 764 OE1 GLU A 51 -8.163 -9.596 -12.817 1.00 0.00 O ATOM 765 OE2 GLU A 51 -10.227 -9.039 -12.554 1.00 0.00 O ATOM 0 H GLU A 51 -6.084 -9.153 -9.443 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.563 -8.342 -8.191 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.692 -10.398 -10.262 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.351 -10.363 -9.697 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.591 -8.000 -10.387 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.893 -7.912 -10.812 1.00 0.00 H new ATOM 772 N PRO A 52 -9.312 -10.392 -6.755 1.00 0.00 N ATOM 773 CA PRO A 52 -9.536 -11.431 -5.704 1.00 0.00 C ATOM 774 C PRO A 52 -9.488 -12.860 -6.270 1.00 0.00 C ATOM 775 O PRO A 52 -9.704 -13.081 -7.445 1.00 0.00 O ATOM 776 CB PRO A 52 -10.949 -11.080 -5.194 1.00 0.00 C ATOM 777 CG PRO A 52 -11.594 -10.131 -6.216 1.00 0.00 C ATOM 778 CD PRO A 52 -10.464 -9.478 -7.025 1.00 0.00 C ATOM 0 HA PRO A 52 -8.768 -11.424 -4.930 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -11.549 -11.983 -5.079 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.895 -10.606 -4.214 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -12.268 -10.679 -6.874 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -12.190 -9.372 -5.710 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -10.702 -9.426 -8.087 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.262 -8.460 -6.693 1.00 0.00 H new ATOM 786 N LEU A 53 -9.210 -13.827 -5.431 1.00 0.00 N ATOM 787 CA LEU A 53 -9.148 -15.250 -5.892 1.00 0.00 C ATOM 788 C LEU A 53 -10.425 -15.973 -5.461 1.00 0.00 C ATOM 789 O LEU A 53 -11.218 -15.451 -4.703 1.00 0.00 O ATOM 790 CB LEU A 53 -7.936 -15.939 -5.254 1.00 0.00 C ATOM 791 CG LEU A 53 -6.706 -15.034 -5.362 1.00 0.00 C ATOM 792 CD1 LEU A 53 -5.506 -15.731 -4.717 1.00 0.00 C ATOM 793 CD2 LEU A 53 -6.400 -14.754 -6.838 1.00 0.00 C ATOM 0 H LEU A 53 -9.022 -13.691 -4.438 1.00 0.00 H new ATOM 0 HA LEU A 53 -9.055 -15.281 -6.978 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -8.143 -16.163 -4.207 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -7.744 -16.890 -5.751 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.902 -14.092 -4.849 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.628 -15.089 -4.792 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.721 -15.929 -3.667 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.312 -16.672 -5.232 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.524 -14.110 -6.912 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.204 -15.694 -7.354 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -7.255 -14.259 -7.299 1.00 0.00 H new ATOM 805 N GLU A 54 -10.634 -17.174 -5.935 1.00 0.00 N ATOM 806 CA GLU A 54 -11.861 -17.930 -5.549 1.00 0.00 C ATOM 807 C GLU A 54 -11.590 -18.721 -4.269 1.00 0.00 C ATOM 808 O GLU A 54 -10.521 -19.262 -4.070 1.00 0.00 O ATOM 809 CB GLU A 54 -12.242 -18.896 -6.679 1.00 0.00 C ATOM 810 CG GLU A 54 -12.987 -18.135 -7.779 1.00 0.00 C ATOM 811 CD GLU A 54 -14.422 -17.852 -7.327 1.00 0.00 C ATOM 812 OE1 GLU A 54 -15.240 -18.750 -7.426 1.00 0.00 O ATOM 813 OE2 GLU A 54 -14.676 -16.742 -6.889 1.00 0.00 O ATOM 0 H GLU A 54 -10.007 -17.664 -6.573 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.680 -17.232 -5.377 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.346 -19.363 -7.089 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -12.869 -19.698 -6.289 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -12.473 -17.199 -7.999 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -12.993 -18.720 -8.699 1.00 0.00 H new ATOM 820 N GLY A 55 -12.558 -18.786 -3.403 1.00 0.00 N ATOM 821 CA GLY A 55 -12.377 -19.538 -2.128 1.00 0.00 C ATOM 822 C GLY A 55 -11.606 -18.674 -1.131 1.00 0.00 C ATOM 823 O GLY A 55 -11.005 -19.170 -0.199 1.00 0.00 O ATOM 0 H GLY A 55 -13.472 -18.350 -3.521 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -13.347 -19.811 -1.714 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -11.837 -20.466 -2.315 1.00 0.00 H new ATOM 827 N SER A 56 -11.618 -17.383 -1.318 1.00 0.00 N ATOM 828 CA SER A 56 -10.886 -16.486 -0.381 1.00 0.00 C ATOM 829 C SER A 56 -11.374 -15.048 -0.566 1.00 0.00 C ATOM 830 O SER A 56 -10.904 -14.328 -1.425 1.00 0.00 O ATOM 831 CB SER A 56 -9.387 -16.560 -0.671 1.00 0.00 C ATOM 832 OG SER A 56 -8.989 -17.923 -0.736 1.00 0.00 O ATOM 0 H SER A 56 -12.104 -16.910 -2.080 1.00 0.00 H new ATOM 0 HA SER A 56 -11.072 -16.802 0.645 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.161 -16.058 -1.612 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.828 -16.042 0.109 1.00 0.00 H new ATOM 0 HG SER A 56 -9.482 -18.440 -0.065 1.00 0.00 H new ATOM 838 N GLU A 57 -12.316 -14.626 0.232 1.00 0.00 N ATOM 839 CA GLU A 57 -12.839 -13.236 0.103 1.00 0.00 C ATOM 840 C GLU A 57 -11.796 -12.243 0.634 1.00 0.00 C ATOM 841 O GLU A 57 -12.082 -11.414 1.474 1.00 0.00 O ATOM 842 CB GLU A 57 -14.145 -13.106 0.900 1.00 0.00 C ATOM 843 CG GLU A 57 -13.947 -13.614 2.338 1.00 0.00 C ATOM 844 CD GLU A 57 -14.111 -15.137 2.385 1.00 0.00 C ATOM 845 OE1 GLU A 57 -15.113 -15.620 1.885 1.00 0.00 O ATOM 846 OE2 GLU A 57 -13.230 -15.792 2.918 1.00 0.00 O ATOM 0 H GLU A 57 -12.747 -15.184 0.969 1.00 0.00 H new ATOM 0 HA GLU A 57 -13.037 -13.015 -0.946 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -14.467 -12.065 0.916 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -14.935 -13.676 0.411 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -12.956 -13.336 2.697 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -14.671 -13.142 3.002 1.00 0.00 H new ATOM 853 N ASP A 58 -10.586 -12.336 0.141 1.00 0.00 N ATOM 854 CA ASP A 58 -9.489 -11.425 0.587 1.00 0.00 C ATOM 855 C ASP A 58 -8.958 -10.644 -0.620 1.00 0.00 C ATOM 856 O ASP A 58 -9.098 -11.056 -1.755 1.00 0.00 O ATOM 857 CB ASP A 58 -8.363 -12.271 1.179 1.00 0.00 C ATOM 858 CG ASP A 58 -8.123 -13.500 0.300 1.00 0.00 C ATOM 859 OD1 ASP A 58 -8.721 -13.574 -0.760 1.00 0.00 O ATOM 860 OD2 ASP A 58 -7.339 -14.345 0.701 1.00 0.00 O ATOM 0 H ASP A 58 -10.308 -13.018 -0.565 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.863 -10.725 1.335 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.450 -11.680 1.251 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.622 -12.581 2.191 1.00 0.00 H new ATOM 865 N ARG A 59 -8.327 -9.520 -0.367 1.00 0.00 N ATOM 866 CA ARG A 59 -7.746 -8.682 -1.465 1.00 0.00 C ATOM 867 C ARG A 59 -6.233 -8.568 -1.230 1.00 0.00 C ATOM 868 O ARG A 59 -5.789 -8.434 -0.109 1.00 0.00 O ATOM 869 CB ARG A 59 -8.373 -7.280 -1.411 1.00 0.00 C ATOM 870 CG ARG A 59 -9.824 -7.325 -1.930 1.00 0.00 C ATOM 871 CD ARG A 59 -9.862 -7.155 -3.455 1.00 0.00 C ATOM 872 NE ARG A 59 -9.642 -5.722 -3.798 1.00 0.00 N ATOM 873 CZ ARG A 59 -9.348 -5.380 -5.023 1.00 0.00 C ATOM 874 NH1 ARG A 59 -9.213 -6.296 -5.941 1.00 0.00 N ATOM 875 NH2 ARG A 59 -9.186 -4.122 -5.327 1.00 0.00 N ATOM 0 H ARG A 59 -8.188 -9.143 0.570 1.00 0.00 H new ATOM 0 HA ARG A 59 -7.946 -9.133 -2.437 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -8.357 -6.906 -0.387 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -7.785 -6.587 -2.013 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -10.285 -8.273 -1.654 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -10.409 -6.536 -1.457 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -9.095 -7.774 -3.920 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -10.823 -7.491 -3.846 1.00 0.00 H new ATOM 0 HE ARG A 59 -9.721 -5.007 -3.075 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -9.337 -7.280 -5.702 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -8.983 -6.029 -6.898 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -9.289 -3.406 -4.608 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -8.956 -3.854 -6.284 1.00 0.00 H new ATOM 889 N ILE A 60 -5.434 -8.655 -2.269 1.00 0.00 N ATOM 890 CA ILE A 60 -3.942 -8.583 -2.091 1.00 0.00 C ATOM 891 C ILE A 60 -3.375 -7.292 -2.701 1.00 0.00 C ATOM 892 O ILE A 60 -3.902 -6.754 -3.655 1.00 0.00 O ATOM 893 CB ILE A 60 -3.313 -9.809 -2.754 1.00 0.00 C ATOM 894 CG1 ILE A 60 -3.677 -11.042 -1.922 1.00 0.00 C ATOM 895 CG2 ILE A 60 -1.789 -9.658 -2.796 1.00 0.00 C ATOM 896 CD1 ILE A 60 -3.298 -12.306 -2.679 1.00 0.00 C ATOM 0 H ILE A 60 -5.748 -8.773 -3.232 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.705 -8.573 -1.027 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.684 -9.911 -3.774 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -3.158 -11.012 -0.964 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.745 -11.043 -1.706 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.349 -10.536 -3.270 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.527 -8.768 -3.368 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.405 -9.563 -1.780 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.559 -13.180 -2.082 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.837 -12.339 -3.626 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.225 -12.306 -2.872 1.00 0.00 H new ATOM 908 N ILE A 61 -2.299 -6.797 -2.136 1.00 0.00 N ATOM 909 CA ILE A 61 -1.676 -5.535 -2.655 1.00 0.00 C ATOM 910 C ILE A 61 -0.156 -5.694 -2.751 1.00 0.00 C ATOM 911 O ILE A 61 0.462 -6.321 -1.918 1.00 0.00 O ATOM 912 CB ILE A 61 -1.988 -4.380 -1.696 1.00 0.00 C ATOM 913 CG1 ILE A 61 -3.468 -4.021 -1.801 1.00 0.00 C ATOM 914 CG2 ILE A 61 -1.144 -3.149 -2.065 1.00 0.00 C ATOM 915 CD1 ILE A 61 -3.840 -3.079 -0.655 1.00 0.00 C ATOM 0 H ILE A 61 -1.823 -7.213 -1.335 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.083 -5.326 -3.644 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.751 -4.688 -0.678 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.672 -3.544 -2.760 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -4.077 -4.924 -1.758 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.372 -2.333 -1.379 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.085 -3.399 -1.993 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.376 -2.841 -3.085 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.896 -2.820 -0.726 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.651 -3.573 0.298 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.239 -2.172 -0.720 1.00 0.00 H new ATOM 927 N THR A 62 0.442 -5.117 -3.765 1.00 0.00 N ATOM 928 CA THR A 62 1.929 -5.211 -3.937 1.00 0.00 C ATOM 929 C THR A 62 2.542 -3.812 -3.843 1.00 0.00 C ATOM 930 O THR A 62 2.192 -2.920 -4.590 1.00 0.00 O ATOM 931 CB THR A 62 2.240 -5.812 -5.311 1.00 0.00 C ATOM 932 OG1 THR A 62 1.455 -6.981 -5.503 1.00 0.00 O ATOM 933 CG2 THR A 62 3.724 -6.173 -5.388 1.00 0.00 C ATOM 0 H THR A 62 -0.039 -4.581 -4.487 1.00 0.00 H new ATOM 0 HA THR A 62 2.349 -5.844 -3.156 1.00 0.00 H new ATOM 0 HB THR A 62 2.005 -5.085 -6.088 1.00 0.00 H new ATOM 0 HG1 THR A 62 1.651 -7.366 -6.383 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.944 -6.601 -6.366 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.325 -5.276 -5.241 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.962 -6.901 -4.612 1.00 0.00 H new ATOM 941 N ILE A 63 3.461 -3.613 -2.930 1.00 0.00 N ATOM 942 CA ILE A 63 4.116 -2.279 -2.770 1.00 0.00 C ATOM 943 C ILE A 63 5.492 -2.315 -3.438 1.00 0.00 C ATOM 944 O ILE A 63 6.252 -3.238 -3.217 1.00 0.00 O ATOM 945 CB ILE A 63 4.309 -1.996 -1.278 1.00 0.00 C ATOM 946 CG1 ILE A 63 2.989 -2.245 -0.538 1.00 0.00 C ATOM 947 CG2 ILE A 63 4.749 -0.538 -1.091 1.00 0.00 C ATOM 948 CD1 ILE A 63 3.115 -1.791 0.915 1.00 0.00 C ATOM 0 H ILE A 63 3.789 -4.328 -2.281 1.00 0.00 H new ATOM 0 HA ILE A 63 3.496 -1.507 -3.225 1.00 0.00 H new ATOM 0 HB ILE A 63 5.076 -2.656 -0.873 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.179 -1.704 -1.028 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.734 -3.304 -0.577 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.887 -0.333 -0.029 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.688 -0.371 -1.618 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.984 0.127 -1.492 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.174 -1.971 1.435 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.912 -2.351 1.403 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.349 -0.727 0.945 1.00 0.00 H new ATOM 960 N THR A 64 5.837 -1.332 -4.235 1.00 0.00 N ATOM 961 CA THR A 64 7.192 -1.336 -4.890 1.00 0.00 C ATOM 962 C THR A 64 7.858 0.023 -4.682 1.00 0.00 C ATOM 963 O THR A 64 7.268 1.055 -4.935 1.00 0.00 O ATOM 964 CB THR A 64 7.038 -1.612 -6.388 1.00 0.00 C ATOM 965 OG1 THR A 64 6.206 -2.748 -6.576 1.00 0.00 O ATOM 966 CG2 THR A 64 8.412 -1.874 -7.006 1.00 0.00 C ATOM 0 H THR A 64 5.247 -0.531 -4.462 1.00 0.00 H new ATOM 0 HA THR A 64 7.810 -2.115 -4.444 1.00 0.00 H new ATOM 0 HB THR A 64 6.585 -0.746 -6.872 1.00 0.00 H new ATOM 0 HG1 THR A 64 6.105 -2.925 -7.535 1.00 0.00 H new ATOM 0 HG21 THR A 64 8.300 -2.070 -8.072 1.00 0.00 H new ATOM 0 HG22 THR A 64 9.048 -1.000 -6.863 1.00 0.00 H new ATOM 0 HG23 THR A 64 8.869 -2.738 -6.524 1.00 0.00 H new ATOM 974 N GLY A 65 9.080 0.042 -4.213 1.00 0.00 N ATOM 975 CA GLY A 65 9.789 1.329 -3.974 1.00 0.00 C ATOM 976 C GLY A 65 10.982 1.071 -3.045 1.00 0.00 C ATOM 977 O GLY A 65 11.312 -0.061 -2.749 1.00 0.00 O ATOM 0 H GLY A 65 9.621 -0.792 -3.984 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.131 1.753 -4.918 1.00 0.00 H new ATOM 0 HA3 GLY A 65 9.111 2.055 -3.525 1.00 0.00 H new ATOM 981 N THR A 66 11.632 2.103 -2.581 1.00 0.00 N ATOM 982 CA THR A 66 12.800 1.899 -1.670 1.00 0.00 C ATOM 983 C THR A 66 12.305 1.455 -0.289 1.00 0.00 C ATOM 984 O THR A 66 11.157 1.638 0.068 1.00 0.00 O ATOM 985 CB THR A 66 13.598 3.198 -1.548 1.00 0.00 C ATOM 986 OG1 THR A 66 12.708 4.278 -1.305 1.00 0.00 O ATOM 987 CG2 THR A 66 14.368 3.446 -2.845 1.00 0.00 C ATOM 0 H THR A 66 11.408 3.076 -2.791 1.00 0.00 H new ATOM 0 HA THR A 66 13.447 1.125 -2.083 1.00 0.00 H new ATOM 0 HB THR A 66 14.303 3.118 -0.720 1.00 0.00 H new ATOM 0 HG1 THR A 66 12.836 4.608 -0.391 1.00 0.00 H new ATOM 0 HG21 THR A 66 14.937 4.372 -2.759 1.00 0.00 H new ATOM 0 HG22 THR A 66 15.051 2.616 -3.027 1.00 0.00 H new ATOM 0 HG23 THR A 66 13.666 3.527 -3.675 1.00 0.00 H new ATOM 995 N GLN A 67 13.179 0.856 0.484 1.00 0.00 N ATOM 996 CA GLN A 67 12.799 0.371 1.844 1.00 0.00 C ATOM 997 C GLN A 67 12.017 1.453 2.592 1.00 0.00 C ATOM 998 O GLN A 67 10.991 1.191 3.186 1.00 0.00 O ATOM 999 CB GLN A 67 14.075 0.028 2.632 1.00 0.00 C ATOM 1000 CG GLN A 67 13.749 -0.973 3.747 1.00 0.00 C ATOM 1001 CD GLN A 67 12.732 -0.356 4.709 1.00 0.00 C ATOM 1002 OE1 GLN A 67 11.498 -0.783 4.695 1.00 0.00 O flip ATOM 1003 NE2 GLN A 67 13.062 0.521 5.481 1.00 0.00 N flip ATOM 0 H GLN A 67 14.150 0.682 0.225 1.00 0.00 H new ATOM 0 HA GLN A 67 12.172 -0.515 1.745 1.00 0.00 H new ATOM 0 HB2 GLN A 67 14.824 -0.393 1.962 1.00 0.00 H new ATOM 0 HB3 GLN A 67 14.503 0.935 3.060 1.00 0.00 H new ATOM 0 HG2 GLN A 67 13.349 -1.892 3.319 1.00 0.00 H new ATOM 0 HG3 GLN A 67 14.658 -1.242 4.286 1.00 0.00 H new ATOM 0 HE21 GLN A 67 14.026 0.855 5.492 1.00 0.00 H new ATOM 0 HE22 GLN A 67 12.375 0.924 6.119 1.00 0.00 H new ATOM 1012 N ASP A 68 12.501 2.661 2.578 1.00 0.00 N ATOM 1013 CA ASP A 68 11.792 3.750 3.301 1.00 0.00 C ATOM 1014 C ASP A 68 10.470 4.055 2.602 1.00 0.00 C ATOM 1015 O ASP A 68 9.446 4.204 3.240 1.00 0.00 O ATOM 1016 CB ASP A 68 12.666 5.006 3.323 1.00 0.00 C ATOM 1017 CG ASP A 68 14.002 4.688 3.995 1.00 0.00 C ATOM 1018 OD1 ASP A 68 14.701 3.821 3.499 1.00 0.00 O ATOM 1019 OD2 ASP A 68 14.304 5.318 4.996 1.00 0.00 O ATOM 0 H ASP A 68 13.356 2.942 2.098 1.00 0.00 H new ATOM 0 HA ASP A 68 11.592 3.433 4.324 1.00 0.00 H new ATOM 0 HB2 ASP A 68 12.834 5.362 2.307 1.00 0.00 H new ATOM 0 HB3 ASP A 68 12.158 5.806 3.861 1.00 0.00 H new ATOM 1024 N GLN A 69 10.471 4.162 1.303 1.00 0.00 N ATOM 1025 CA GLN A 69 9.199 4.469 0.595 1.00 0.00 C ATOM 1026 C GLN A 69 8.178 3.369 0.914 1.00 0.00 C ATOM 1027 O GLN A 69 6.999 3.621 1.064 1.00 0.00 O ATOM 1028 CB GLN A 69 9.454 4.531 -0.925 1.00 0.00 C ATOM 1029 CG GLN A 69 9.860 5.953 -1.340 1.00 0.00 C ATOM 1030 CD GLN A 69 11.192 6.327 -0.686 1.00 0.00 C ATOM 1031 OE1 GLN A 69 11.329 6.273 0.519 1.00 0.00 O ATOM 1032 NE2 GLN A 69 12.185 6.712 -1.439 1.00 0.00 N ATOM 0 H GLN A 69 11.290 4.051 0.706 1.00 0.00 H new ATOM 0 HA GLN A 69 8.812 5.433 0.924 1.00 0.00 H new ATOM 0 HB2 GLN A 69 10.240 3.827 -1.198 1.00 0.00 H new ATOM 0 HB3 GLN A 69 8.556 4.230 -1.464 1.00 0.00 H new ATOM 0 HG2 GLN A 69 9.948 6.013 -2.425 1.00 0.00 H new ATOM 0 HG3 GLN A 69 9.087 6.662 -1.043 1.00 0.00 H new ATOM 0 HE21 GLN A 69 12.070 6.757 -2.451 1.00 0.00 H new ATOM 0 HE22 GLN A 69 13.077 6.968 -1.015 1.00 0.00 H new ATOM 1041 N ILE A 70 8.633 2.146 1.016 1.00 0.00 N ATOM 1042 CA ILE A 70 7.717 1.012 1.325 1.00 0.00 C ATOM 1043 C ILE A 70 7.242 1.090 2.779 1.00 0.00 C ATOM 1044 O ILE A 70 6.070 0.934 3.059 1.00 0.00 O ATOM 1045 CB ILE A 70 8.463 -0.315 1.107 1.00 0.00 C ATOM 1046 CG1 ILE A 70 8.691 -0.529 -0.393 1.00 0.00 C ATOM 1047 CG2 ILE A 70 7.638 -1.483 1.666 1.00 0.00 C ATOM 1048 CD1 ILE A 70 9.640 -1.712 -0.608 1.00 0.00 C ATOM 0 H ILE A 70 9.612 1.884 0.897 1.00 0.00 H new ATOM 0 HA ILE A 70 6.850 1.068 0.666 1.00 0.00 H new ATOM 0 HB ILE A 70 9.421 -0.274 1.626 1.00 0.00 H new ATOM 0 HG12 ILE A 70 7.740 -0.718 -0.892 1.00 0.00 H new ATOM 0 HG13 ILE A 70 9.111 0.372 -0.839 1.00 0.00 H new ATOM 0 HG21 ILE A 70 8.176 -2.418 1.506 1.00 0.00 H new ATOM 0 HG22 ILE A 70 7.476 -1.336 2.734 1.00 0.00 H new ATOM 0 HG23 ILE A 70 6.676 -1.526 1.155 1.00 0.00 H new ATOM 0 HD11 ILE A 70 9.800 -1.861 -1.676 1.00 0.00 H new ATOM 0 HD12 ILE A 70 10.594 -1.505 -0.124 1.00 0.00 H new ATOM 0 HD13 ILE A 70 9.202 -2.613 -0.177 1.00 0.00 H new ATOM 1060 N GLN A 71 8.127 1.327 3.713 1.00 0.00 N ATOM 1061 CA GLN A 71 7.709 1.410 5.140 1.00 0.00 C ATOM 1062 C GLN A 71 6.687 2.534 5.310 1.00 0.00 C ATOM 1063 O GLN A 71 5.691 2.382 5.987 1.00 0.00 O ATOM 1064 CB GLN A 71 8.936 1.700 6.007 1.00 0.00 C ATOM 1065 CG GLN A 71 8.537 1.694 7.483 1.00 0.00 C ATOM 1066 CD GLN A 71 9.790 1.823 8.350 1.00 0.00 C ATOM 1067 OE1 GLN A 71 10.779 2.571 7.942 1.00 0.00 O flip ATOM 1068 NE2 GLN A 71 9.871 1.237 9.412 1.00 0.00 N flip ATOM 0 H GLN A 71 9.123 1.467 3.546 1.00 0.00 H new ATOM 0 HA GLN A 71 7.259 0.465 5.445 1.00 0.00 H new ATOM 0 HB2 GLN A 71 9.707 0.951 5.826 1.00 0.00 H new ATOM 0 HB3 GLN A 71 9.362 2.667 5.739 1.00 0.00 H new ATOM 0 HG2 GLN A 71 7.853 2.517 7.689 1.00 0.00 H new ATOM 0 HG3 GLN A 71 8.008 0.772 7.724 1.00 0.00 H new ATOM 0 HE21 GLN A 71 9.099 0.652 9.732 1.00 0.00 H new ATOM 0 HE22 GLN A 71 10.711 1.330 9.983 1.00 0.00 H new ATOM 1077 N ASN A 72 6.922 3.664 4.699 1.00 0.00 N ATOM 1078 CA ASN A 72 5.956 4.790 4.828 1.00 0.00 C ATOM 1079 C ASN A 72 4.608 4.350 4.264 1.00 0.00 C ATOM 1080 O ASN A 72 3.562 4.732 4.751 1.00 0.00 O ATOM 1081 CB ASN A 72 6.467 6.001 4.044 1.00 0.00 C ATOM 1082 CG ASN A 72 5.666 7.242 4.445 1.00 0.00 C ATOM 1083 OD1 ASN A 72 4.615 7.134 5.043 1.00 0.00 O ATOM 1084 ND2 ASN A 72 6.123 8.426 4.138 1.00 0.00 N ATOM 0 H ASN A 72 7.739 3.855 4.118 1.00 0.00 H new ATOM 0 HA ASN A 72 5.848 5.064 5.877 1.00 0.00 H new ATOM 0 HB2 ASN A 72 7.527 6.158 4.246 1.00 0.00 H new ATOM 0 HB3 ASN A 72 6.370 5.822 2.973 1.00 0.00 H new ATOM 0 HD21 ASN A 72 5.597 9.260 4.401 1.00 0.00 H new ATOM 0 HD22 ASN A 72 7.006 8.517 3.636 1.00 0.00 H new ATOM 1091 N ALA A 73 4.627 3.547 3.236 1.00 0.00 N ATOM 1092 CA ALA A 73 3.354 3.079 2.628 1.00 0.00 C ATOM 1093 C ALA A 73 2.703 2.031 3.533 1.00 0.00 C ATOM 1094 O ALA A 73 1.514 2.067 3.785 1.00 0.00 O ATOM 1095 CB ALA A 73 3.644 2.457 1.261 1.00 0.00 C ATOM 0 H ALA A 73 5.474 3.195 2.791 1.00 0.00 H new ATOM 0 HA ALA A 73 2.677 3.926 2.512 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.712 2.113 0.813 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.105 3.202 0.613 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.322 1.612 1.382 1.00 0.00 H new ATOM 1101 N GLN A 74 3.469 1.089 4.014 1.00 0.00 N ATOM 1102 CA GLN A 74 2.900 0.028 4.891 1.00 0.00 C ATOM 1103 C GLN A 74 2.267 0.650 6.137 1.00 0.00 C ATOM 1104 O GLN A 74 1.168 0.307 6.520 1.00 0.00 O ATOM 1105 CB GLN A 74 4.017 -0.928 5.317 1.00 0.00 C ATOM 1106 CG GLN A 74 4.479 -1.748 4.112 1.00 0.00 C ATOM 1107 CD GLN A 74 5.699 -2.586 4.503 1.00 0.00 C ATOM 1108 OE1 GLN A 74 6.576 -2.116 5.199 1.00 0.00 O ATOM 1109 NE2 GLN A 74 5.791 -3.818 4.082 1.00 0.00 N ATOM 0 H GLN A 74 4.470 1.009 3.835 1.00 0.00 H new ATOM 0 HA GLN A 74 2.134 -0.515 4.338 1.00 0.00 H new ATOM 0 HB2 GLN A 74 4.854 -0.364 5.728 1.00 0.00 H new ATOM 0 HB3 GLN A 74 3.661 -1.591 6.106 1.00 0.00 H new ATOM 0 HG2 GLN A 74 3.673 -2.397 3.770 1.00 0.00 H new ATOM 0 HG3 GLN A 74 4.729 -1.086 3.283 1.00 0.00 H new ATOM 0 HE21 GLN A 74 5.055 -4.213 3.497 1.00 0.00 H new ATOM 0 HE22 GLN A 74 6.599 -4.385 4.338 1.00 0.00 H new ATOM 1118 N TYR A 75 2.955 1.550 6.788 1.00 0.00 N ATOM 1119 CA TYR A 75 2.384 2.168 8.018 1.00 0.00 C ATOM 1120 C TYR A 75 1.089 2.909 7.677 1.00 0.00 C ATOM 1121 O TYR A 75 0.124 2.845 8.413 1.00 0.00 O ATOM 1122 CB TYR A 75 3.394 3.138 8.632 1.00 0.00 C ATOM 1123 CG TYR A 75 2.835 3.702 9.915 1.00 0.00 C ATOM 1124 CD1 TYR A 75 2.041 4.855 9.886 1.00 0.00 C ATOM 1125 CD2 TYR A 75 3.109 3.073 11.136 1.00 0.00 C ATOM 1126 CE1 TYR A 75 1.522 5.379 11.076 1.00 0.00 C ATOM 1127 CE2 TYR A 75 2.590 3.597 12.326 1.00 0.00 C ATOM 1128 CZ TYR A 75 1.797 4.750 12.296 1.00 0.00 C ATOM 1129 OH TYR A 75 1.286 5.266 13.470 1.00 0.00 O ATOM 0 H TYR A 75 3.882 1.882 6.523 1.00 0.00 H new ATOM 0 HA TYR A 75 2.163 1.382 8.740 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.335 2.624 8.828 1.00 0.00 H new ATOM 0 HB3 TYR A 75 3.611 3.945 7.932 1.00 0.00 H new ATOM 0 HD1 TYR A 75 1.829 5.340 8.945 1.00 0.00 H new ATOM 0 HD2 TYR A 75 3.721 2.183 11.160 1.00 0.00 H new ATOM 0 HE1 TYR A 75 0.910 6.268 11.053 1.00 0.00 H new ATOM 0 HE2 TYR A 75 2.802 3.112 13.267 1.00 0.00 H new ATOM 0 HH TYR A 75 1.571 4.709 14.224 1.00 0.00 H new ATOM 1139 N LEU A 76 1.046 3.611 6.577 1.00 0.00 N ATOM 1140 CA LEU A 76 -0.208 4.339 6.229 1.00 0.00 C ATOM 1141 C LEU A 76 -1.303 3.321 5.905 1.00 0.00 C ATOM 1142 O LEU A 76 -2.477 3.633 5.927 1.00 0.00 O ATOM 1143 CB LEU A 76 0.021 5.261 5.025 1.00 0.00 C ATOM 1144 CG LEU A 76 1.046 6.355 5.375 1.00 0.00 C ATOM 1145 CD1 LEU A 76 1.662 6.915 4.088 1.00 0.00 C ATOM 1146 CD2 LEU A 76 0.363 7.500 6.134 1.00 0.00 C ATOM 0 H LEU A 76 1.813 3.712 5.912 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.513 4.953 7.077 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.377 4.679 4.175 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.921 5.719 4.725 1.00 0.00 H new ATOM 0 HG LEU A 76 1.822 5.916 6.002 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.387 7.689 4.339 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.161 6.113 3.544 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.876 7.342 3.464 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.099 8.267 6.375 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.421 7.932 5.512 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.076 7.116 7.055 1.00 0.00 H new ATOM 1158 N LEU A 77 -0.936 2.099 5.621 1.00 0.00 N ATOM 1159 CA LEU A 77 -1.969 1.066 5.319 1.00 0.00 C ATOM 1160 C LEU A 77 -2.487 0.492 6.642 1.00 0.00 C ATOM 1161 O LEU A 77 -3.674 0.334 6.846 1.00 0.00 O ATOM 1162 CB LEU A 77 -1.353 -0.061 4.468 1.00 0.00 C ATOM 1163 CG LEU A 77 -1.321 0.346 2.979 1.00 0.00 C ATOM 1164 CD1 LEU A 77 -0.271 -0.490 2.239 1.00 0.00 C ATOM 1165 CD2 LEU A 77 -2.690 0.103 2.324 1.00 0.00 C ATOM 0 H LEU A 77 0.030 1.773 5.585 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.790 1.516 4.760 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.342 -0.276 4.815 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.933 -0.976 4.589 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.073 1.406 2.918 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.250 -0.201 1.188 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.710 -0.318 2.682 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.525 -1.547 2.320 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.648 0.396 1.275 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.945 -0.954 2.396 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.449 0.695 2.836 1.00 0.00 H new ATOM 1177 N GLN A 78 -1.590 0.181 7.541 1.00 0.00 N ATOM 1178 CA GLN A 78 -1.997 -0.384 8.858 1.00 0.00 C ATOM 1179 C GLN A 78 -2.865 0.624 9.618 1.00 0.00 C ATOM 1180 O GLN A 78 -3.822 0.259 10.273 1.00 0.00 O ATOM 1181 CB GLN A 78 -0.741 -0.693 9.680 1.00 0.00 C ATOM 1182 CG GLN A 78 -1.131 -1.468 10.939 1.00 0.00 C ATOM 1183 CD GLN A 78 0.133 -1.913 11.676 1.00 0.00 C ATOM 1184 OE1 GLN A 78 0.457 -1.387 12.722 1.00 0.00 O ATOM 1185 NE2 GLN A 78 0.866 -2.867 11.172 1.00 0.00 N ATOM 0 H GLN A 78 -0.584 0.296 7.416 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.571 -1.296 8.696 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -0.039 -1.276 9.085 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -0.235 0.233 9.953 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -1.743 -0.842 11.589 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -1.734 -2.336 10.672 1.00 0.00 H new ATOM 0 HE21 GLN A 78 0.594 -3.309 10.294 1.00 0.00 H new ATOM 0 HE22 GLN A 78 1.711 -3.171 11.656 1.00 0.00 H new ATOM 1194 N ASN A 79 -2.543 1.893 9.543 1.00 0.00 N ATOM 1195 CA ASN A 79 -3.364 2.905 10.272 1.00 0.00 C ATOM 1196 C ASN A 79 -4.640 3.191 9.479 1.00 0.00 C ATOM 1197 O ASN A 79 -5.628 3.629 10.034 1.00 0.00 O ATOM 1198 CB ASN A 79 -2.567 4.190 10.498 1.00 0.00 C ATOM 1199 CG ASN A 79 -3.323 5.096 11.472 1.00 0.00 C ATOM 1200 OD1 ASN A 79 -3.380 4.822 12.655 1.00 0.00 O ATOM 1201 ND2 ASN A 79 -3.912 6.170 11.022 1.00 0.00 N ATOM 0 H ASN A 79 -1.755 2.267 9.014 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.634 2.507 11.250 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -1.580 3.953 10.896 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.413 4.706 9.550 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -4.420 6.780 11.663 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -3.864 6.400 10.029 1.00 0.00 H new ATOM 1208 N SER A 80 -4.653 2.941 8.200 1.00 0.00 N ATOM 1209 CA SER A 80 -5.906 3.206 7.442 1.00 0.00 C ATOM 1210 C SER A 80 -6.974 2.272 8.009 1.00 0.00 C ATOM 1211 O SER A 80 -8.121 2.634 8.176 1.00 0.00 O ATOM 1212 CB SER A 80 -5.695 2.929 5.954 1.00 0.00 C ATOM 1213 OG SER A 80 -5.420 1.547 5.768 1.00 0.00 O ATOM 0 H SER A 80 -3.871 2.574 7.658 1.00 0.00 H new ATOM 0 HA SER A 80 -6.208 4.249 7.542 1.00 0.00 H new ATOM 0 HB2 SER A 80 -6.583 3.214 5.390 1.00 0.00 H new ATOM 0 HB3 SER A 80 -4.869 3.530 5.574 1.00 0.00 H new ATOM 0 HG SER A 80 -4.740 1.259 6.413 1.00 0.00 H new ATOM 1219 N VAL A 81 -6.583 1.060 8.296 1.00 0.00 N ATOM 1220 CA VAL A 81 -7.532 0.050 8.850 1.00 0.00 C ATOM 1221 C VAL A 81 -8.433 0.691 9.906 1.00 0.00 C ATOM 1222 O VAL A 81 -9.641 0.575 9.852 1.00 0.00 O ATOM 1223 CB VAL A 81 -6.740 -1.087 9.505 1.00 0.00 C ATOM 1224 CG1 VAL A 81 -7.690 -2.228 9.875 1.00 0.00 C ATOM 1225 CG2 VAL A 81 -5.672 -1.601 8.534 1.00 0.00 C ATOM 0 H VAL A 81 -5.630 0.721 8.168 1.00 0.00 H new ATOM 0 HA VAL A 81 -8.146 -0.336 8.036 1.00 0.00 H new ATOM 0 HB VAL A 81 -6.255 -0.713 10.407 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -7.125 -3.035 10.341 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -8.443 -1.863 10.573 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -8.180 -2.600 8.975 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.112 -2.409 9.004 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.152 -1.971 7.628 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -4.992 -0.789 8.278 1.00 0.00 H new ATOM 1235 N LYS A 82 -7.862 1.350 10.876 1.00 0.00 N ATOM 1236 CA LYS A 82 -8.698 1.974 11.940 1.00 0.00 C ATOM 1237 C LYS A 82 -9.865 2.742 11.304 1.00 0.00 C ATOM 1238 O LYS A 82 -10.880 2.958 11.934 1.00 0.00 O ATOM 1239 CB LYS A 82 -7.827 2.904 12.798 1.00 0.00 C ATOM 1240 CG LYS A 82 -7.181 2.112 13.940 1.00 0.00 C ATOM 1241 CD LYS A 82 -6.325 3.049 14.794 1.00 0.00 C ATOM 1242 CE LYS A 82 -5.929 2.341 16.091 1.00 0.00 C ATOM 1243 NZ LYS A 82 -5.215 1.074 15.766 1.00 0.00 N ATOM 0 H LYS A 82 -6.856 1.483 10.978 1.00 0.00 H new ATOM 0 HA LYS A 82 -9.113 1.198 12.583 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -7.055 3.364 12.181 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -8.435 3.713 13.204 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -7.951 1.646 14.554 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -6.566 1.308 13.536 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -5.433 3.347 14.243 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -6.879 3.960 15.019 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -5.289 2.988 16.691 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -6.816 2.129 16.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -4.714 0.732 16.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -5.903 0.357 15.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -4.530 1.248 15.003 1.00 0.00 H new ATOM 1257 N GLN A 83 -9.761 3.124 10.061 1.00 0.00 N ATOM 1258 CA GLN A 83 -10.910 3.832 9.426 1.00 0.00 C ATOM 1259 C GLN A 83 -12.127 2.911 9.518 1.00 0.00 C ATOM 1260 O GLN A 83 -13.252 3.291 9.261 1.00 0.00 O ATOM 1261 CB GLN A 83 -10.593 4.130 7.957 1.00 0.00 C ATOM 1262 CG GLN A 83 -11.683 5.029 7.370 1.00 0.00 C ATOM 1263 CD GLN A 83 -11.279 5.464 5.960 1.00 0.00 C ATOM 1264 OE1 GLN A 83 -10.116 5.686 5.690 1.00 0.00 O ATOM 1265 NE2 GLN A 83 -12.199 5.597 5.043 1.00 0.00 N ATOM 0 H GLN A 83 -8.946 2.980 9.465 1.00 0.00 H new ATOM 0 HA GLN A 83 -11.104 4.777 9.933 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -9.622 4.618 7.876 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -10.531 3.200 7.392 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -12.633 4.495 7.339 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -11.829 5.903 8.004 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -13.176 5.411 5.270 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -11.941 5.887 4.100 1.00 0.00 H new ATOM 1274 N TYR A 84 -11.875 1.693 9.896 1.00 0.00 N ATOM 1275 CA TYR A 84 -12.968 0.690 10.036 1.00 0.00 C ATOM 1276 C TYR A 84 -13.901 1.112 11.174 1.00 0.00 C ATOM 1277 O TYR A 84 -14.065 0.406 12.150 1.00 0.00 O ATOM 1278 CB TYR A 84 -12.372 -0.684 10.348 1.00 0.00 C ATOM 1279 CG TYR A 84 -13.483 -1.707 10.425 1.00 0.00 C ATOM 1280 CD1 TYR A 84 -14.090 -2.168 9.250 1.00 0.00 C ATOM 1281 CD2 TYR A 84 -13.910 -2.191 11.669 1.00 0.00 C ATOM 1282 CE1 TYR A 84 -15.120 -3.114 9.318 1.00 0.00 C ATOM 1283 CE2 TYR A 84 -14.939 -3.137 11.736 1.00 0.00 C ATOM 1284 CZ TYR A 84 -15.545 -3.599 10.561 1.00 0.00 C ATOM 1285 OH TYR A 84 -16.560 -4.530 10.628 1.00 0.00 O ATOM 0 H TYR A 84 -10.943 1.342 10.118 1.00 0.00 H new ATOM 0 HA TYR A 84 -13.529 0.635 9.103 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -11.656 -0.966 9.576 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -11.827 -0.651 11.291 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -13.763 -1.794 8.291 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -13.445 -1.834 12.576 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -15.587 -3.470 8.411 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -15.266 -3.511 12.695 1.00 0.00 H new ATOM 0 HH TYR A 84 -16.731 -4.761 11.565 1.00 0.00 H new ATOM 1295 N SER A 85 -14.513 2.260 11.056 1.00 0.00 N ATOM 1296 CA SER A 85 -15.435 2.729 12.130 1.00 0.00 C ATOM 1297 C SER A 85 -14.701 2.723 13.473 1.00 0.00 C ATOM 1298 O SER A 85 -15.294 2.923 14.515 1.00 0.00 O ATOM 1299 CB SER A 85 -16.647 1.802 12.208 1.00 0.00 C ATOM 1300 OG SER A 85 -16.295 0.626 12.925 1.00 0.00 O ATOM 0 H SER A 85 -14.414 2.893 10.262 1.00 0.00 H new ATOM 0 HA SER A 85 -15.768 3.741 11.902 1.00 0.00 H new ATOM 0 HB2 SER A 85 -17.475 2.309 12.703 1.00 0.00 H new ATOM 0 HB3 SER A 85 -16.986 1.542 11.205 1.00 0.00 H new ATOM 0 HG SER A 85 -15.542 0.184 12.479 1.00 0.00 H new ATOM 1306 N GLY A 86 -13.416 2.498 13.457 1.00 0.00 N ATOM 1307 CA GLY A 86 -12.648 2.482 14.734 1.00 0.00 C ATOM 1308 C GLY A 86 -12.562 3.903 15.294 1.00 0.00 C ATOM 1309 O GLY A 86 -12.939 4.161 16.420 1.00 0.00 O ATOM 0 H GLY A 86 -12.865 2.325 12.616 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -13.134 1.824 15.455 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -11.647 2.085 14.564 1.00 0.00 H new ATOM 1313 N LYS A 87 -12.071 4.826 14.515 1.00 0.00 N ATOM 1314 CA LYS A 87 -11.963 6.230 15.000 1.00 0.00 C ATOM 1315 C LYS A 87 -13.338 6.897 14.930 1.00 0.00 C ATOM 1316 O LYS A 87 -13.812 7.250 13.868 1.00 0.00 O ATOM 1317 CB LYS A 87 -10.974 6.997 14.116 1.00 0.00 C ATOM 1318 CG LYS A 87 -9.560 6.444 14.328 1.00 0.00 C ATOM 1319 CD LYS A 87 -8.659 6.868 13.163 1.00 0.00 C ATOM 1320 CE LYS A 87 -8.717 8.389 12.992 1.00 0.00 C ATOM 1321 NZ LYS A 87 -8.642 9.044 14.329 1.00 0.00 N ATOM 0 H LYS A 87 -11.740 4.669 13.563 1.00 0.00 H new ATOM 0 HA LYS A 87 -11.609 6.237 16.031 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -11.259 6.903 13.068 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -11.001 8.059 14.360 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -9.152 6.813 15.269 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -9.591 5.357 14.399 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -7.633 6.552 13.351 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -8.980 6.377 12.245 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -7.893 8.726 12.363 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -9.640 8.674 12.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -8.170 9.966 14.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -9.603 9.182 14.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -8.101 8.441 14.981 1.00 0.00 H new ATOM 1335 N PHE A 88 -13.981 7.067 16.052 1.00 0.00 N ATOM 1336 CA PHE A 88 -15.329 7.705 16.056 1.00 0.00 C ATOM 1337 C PHE A 88 -16.265 6.923 15.135 1.00 0.00 C ATOM 1338 O PHE A 88 -16.160 6.981 13.926 1.00 0.00 O ATOM 1339 CB PHE A 88 -15.221 9.147 15.565 1.00 0.00 C ATOM 1340 CG PHE A 88 -16.514 9.874 15.847 1.00 0.00 C ATOM 1341 CD1 PHE A 88 -16.737 10.442 17.108 1.00 0.00 C ATOM 1342 CD2 PHE A 88 -17.489 9.980 14.850 1.00 0.00 C ATOM 1343 CE1 PHE A 88 -17.937 11.114 17.370 1.00 0.00 C ATOM 1344 CE2 PHE A 88 -18.688 10.653 15.111 1.00 0.00 C ATOM 1345 CZ PHE A 88 -18.912 11.220 16.371 1.00 0.00 C ATOM 0 H PHE A 88 -13.631 6.791 16.969 1.00 0.00 H new ATOM 0 HA PHE A 88 -15.726 7.700 17.071 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -14.392 9.651 16.063 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -15.008 9.163 14.496 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -15.984 10.362 17.878 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -17.317 9.542 13.878 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -18.110 11.550 18.343 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -19.440 10.735 14.340 1.00 0.00 H new ATOM 0 HZ PHE A 88 -19.837 11.739 16.573 1.00 0.00 H new ATOM 1355 N PHE A 89 -17.182 6.194 15.702 1.00 0.00 N ATOM 1356 CA PHE A 89 -18.133 5.405 14.868 1.00 0.00 C ATOM 1357 C PHE A 89 -18.936 6.353 13.976 1.00 0.00 C ATOM 1358 O PHE A 89 -19.780 5.869 13.240 1.00 0.00 O ATOM 1359 CB PHE A 89 -19.086 4.630 15.778 1.00 0.00 C ATOM 1360 CG PHE A 89 -18.288 3.828 16.780 1.00 0.00 C ATOM 1361 CD1 PHE A 89 -17.847 2.540 16.453 1.00 0.00 C ATOM 1362 CD2 PHE A 89 -17.989 4.374 18.033 1.00 0.00 C ATOM 1363 CE1 PHE A 89 -17.107 1.798 17.381 1.00 0.00 C ATOM 1364 CE2 PHE A 89 -17.249 3.631 18.962 1.00 0.00 C ATOM 1365 CZ PHE A 89 -16.807 2.343 18.635 1.00 0.00 C ATOM 1366 OXT PHE A 89 -18.695 7.547 14.044 1.00 0.00 O ATOM 0 H PHE A 89 -17.316 6.109 16.710 1.00 0.00 H new ATOM 0 HA PHE A 89 -17.576 4.705 14.245 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -19.752 5.320 16.296 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -19.714 3.967 15.183 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -18.078 2.119 15.485 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -18.329 5.368 18.284 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -16.767 0.804 17.129 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -17.019 4.051 19.930 1.00 0.00 H new ATOM 0 HZ PHE A 89 -16.235 1.770 19.350 1.00 0.00 H new TER 1376 PHE A 89