USER MOD reduce.3.24.130724 H: found=0, std=0, add=971, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 970 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 12 GLN : amide:sc= -0.0204 X(o=-1.6,f=-2) USER MOD Set 1.2: A 13 HIS :FLIP no HE2:sc= -1.87 F(o=-2.3,f=-1.6) USER MOD Set 1.3: A 43 ASN : amide:sc= 0.247 K(o=-1.6,f=-2.9) USER MOD Set 1.4: A 117 GLN :FLIP amide:sc= 0 X(o=-2.1,f=-1.6) USER MOD Set 2.1: A 84 HIS : no HD1:sc= -1.36 X(o=-1.4,f=-1.2) USER MOD Set 2.2: A 93 GLN : amide:sc= 0 X(o=-1.4,f=-1.2) USER MOD Set 3.1: A 25 TYR OH : rot 20:sc= 0.188 USER MOD Set 3.2: A 47 HIS : no HE2:sc= -1.54! C(o=-0.72!,f=-8!) USER MOD Set 3.3: A 79 THR OG1 : rot 83:sc= 0.63 USER MOD Set 4.1: A 44 THR OG1 : rot 168:sc= 0.92 USER MOD Set 4.2: A 80 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 4 SER OG : rot -82:sc= 0.21 USER MOD Set 5.2: A 8 HIS : no HE2:sc= -0.926 X(o=-0.72,f=-0.27) USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 1 GLN N :NH3+ -134:sc= 0.112 (180deg=-0.126) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot -47:sc= 0.0809 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot -46:sc= 0.102 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.096 X(o=-0.096,f=-0.096) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl 164:sc= -0.865 (180deg=-1.71) USER MOD Single : A 36 THR OG1 : rot 24:sc= 0.861 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 176:sc= 0.313 (180deg=0.299) USER MOD Single : A 49 ASN : amide:sc= -0.0401 X(o=-0.04,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0.25) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 0.157 K(o=0.16,f=-0.99) USER MOD Single : A 63 ASN : amide:sc= -0.12 X(o=-0.12,f=0) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 68 ASN : amide:sc= -0.0122 X(o=-0.012,f=-0.029) USER MOD Single : A 72 SER OG : rot 136:sc= 0.165 USER MOD Single : A 73 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0352) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -1.44 X(o=-1.4,f=-1.7) USER MOD Single : A 82 LYS NZ :NH3+ 171:sc=-0.00259 (180deg=-0.112) USER MOD Single : A 87 SER OG : rot -102:sc= 0.228 USER MOD Single : A 94 TYR OH : rot -2:sc= 0.14 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -0.134 K(o=-0.13,f=-2.4!) USER MOD Single : A 109 ASN : amide:sc= -0.23 X(o=-0.23,f=-0.024) USER MOD Single : A 114 HIS :FLIP no HD1:sc= -1.16 F(o=-2.4!,f=-1.2) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 3.461 -0.401 -1.140 1.00 0.00 N ATOM 2 CA GLN A 1 2.552 -1.309 -0.409 1.00 0.00 C ATOM 3 C GLN A 1 3.062 -2.706 -0.482 1.00 0.00 C ATOM 4 O GLN A 1 4.046 -2.968 -1.174 1.00 0.00 O ATOM 5 CB GLN A 1 1.140 -1.261 -1.019 1.00 0.00 C ATOM 6 CG GLN A 1 0.539 0.149 -1.020 1.00 0.00 C ATOM 7 CD GLN A 1 -0.921 0.044 -1.458 1.00 0.00 C ATOM 8 OE1 GLN A 1 -1.233 -0.517 -2.515 1.00 0.00 O ATOM 9 NE2 GLN A 1 -1.832 0.608 -0.607 1.00 0.00 N ATOM 0 H1 GLN A 1 3.645 0.444 -0.563 1.00 0.00 H new ATOM 0 H2 GLN A 1 4.358 -0.890 -1.334 1.00 0.00 H new ATOM 0 H3 GLN A 1 3.020 -0.118 -2.038 1.00 0.00 H new ATOM 0 HA GLN A 1 2.508 -0.985 0.631 1.00 0.00 H new ATOM 0 HB2 GLN A 1 1.179 -1.635 -2.042 1.00 0.00 H new ATOM 0 HB3 GLN A 1 0.485 -1.929 -0.460 1.00 0.00 H new ATOM 0 HG2 GLN A 1 0.607 0.592 -0.026 1.00 0.00 H new ATOM 0 HG3 GLN A 1 1.094 0.798 -1.697 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -1.517 1.058 0.252 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -2.826 0.578 -0.832 1.00 0.00 H new ATOM 20 N ASP A 2 2.369 -3.616 0.243 1.00 0.00 N ATOM 21 CA ASP A 2 2.660 -5.021 0.386 1.00 0.00 C ATOM 22 C ASP A 2 3.942 -5.183 1.131 1.00 0.00 C ATOM 23 O ASP A 2 4.999 -5.348 0.522 1.00 0.00 O ATOM 24 CB ASP A 2 2.723 -5.853 -0.911 1.00 0.00 C ATOM 25 CG ASP A 2 1.330 -5.948 -1.521 1.00 0.00 C ATOM 26 OD1 ASP A 2 0.842 -4.927 -2.076 1.00 0.00 O ATOM 27 OD2 ASP A 2 0.735 -7.057 -1.443 1.00 0.00 O ATOM 0 H ASP A 2 1.539 -3.346 0.771 1.00 0.00 H new ATOM 0 HA ASP A 2 1.803 -5.421 0.927 1.00 0.00 H new ATOM 0 HB2 ASP A 2 3.411 -5.391 -1.619 1.00 0.00 H new ATOM 0 HB3 ASP A 2 3.107 -6.851 -0.698 1.00 0.00 H new ATOM 32 N ASN A 3 3.822 -5.117 2.482 1.00 0.00 N ATOM 33 CA ASN A 3 4.860 -5.150 3.490 1.00 0.00 C ATOM 34 C ASN A 3 5.101 -3.745 3.949 1.00 0.00 C ATOM 35 O ASN A 3 5.415 -3.515 5.115 1.00 0.00 O ATOM 36 CB ASN A 3 6.211 -5.818 3.132 1.00 0.00 C ATOM 37 CG ASN A 3 7.067 -5.982 4.390 1.00 0.00 C ATOM 38 OD1 ASN A 3 6.674 -6.648 5.354 1.00 0.00 O ATOM 39 ND2 ASN A 3 8.283 -5.357 4.353 1.00 0.00 N ATOM 0 H ASN A 3 2.901 -5.032 2.911 1.00 0.00 H new ATOM 0 HA ASN A 3 4.467 -5.810 4.263 1.00 0.00 H new ATOM 0 HB2 ASN A 3 6.034 -6.791 2.674 1.00 0.00 H new ATOM 0 HB3 ASN A 3 6.742 -5.212 2.398 1.00 0.00 H new ATOM 0 HD21 ASN A 3 8.917 -5.428 5.149 1.00 0.00 H new ATOM 0 HD22 ASN A 3 8.555 -4.820 3.530 1.00 0.00 H new ATOM 46 N SER A 4 4.941 -2.772 3.028 1.00 0.00 N ATOM 47 CA SER A 4 5.068 -1.377 3.336 1.00 0.00 C ATOM 48 C SER A 4 3.731 -0.871 3.782 1.00 0.00 C ATOM 49 O SER A 4 3.643 0.145 4.464 1.00 0.00 O ATOM 50 CB SER A 4 5.549 -0.542 2.138 1.00 0.00 C ATOM 51 OG SER A 4 5.825 0.791 2.537 1.00 0.00 O ATOM 0 H SER A 4 4.719 -2.959 2.050 1.00 0.00 H new ATOM 0 HA SER A 4 5.820 -1.274 4.119 1.00 0.00 H new ATOM 0 HB2 SER A 4 6.445 -0.992 1.710 1.00 0.00 H new ATOM 0 HB3 SER A 4 4.788 -0.544 1.358 1.00 0.00 H new ATOM 0 HG SER A 4 4.991 1.305 2.560 1.00 0.00 H new ATOM 57 N ARG A 5 2.650 -1.598 3.413 1.00 0.00 N ATOM 58 CA ARG A 5 1.290 -1.247 3.731 1.00 0.00 C ATOM 59 C ARG A 5 0.995 -1.547 5.174 1.00 0.00 C ATOM 60 O ARG A 5 0.065 -0.989 5.751 1.00 0.00 O ATOM 61 CB ARG A 5 0.298 -2.054 2.873 1.00 0.00 C ATOM 62 CG ARG A 5 -0.912 -1.282 2.325 1.00 0.00 C ATOM 63 CD ARG A 5 -1.975 -0.888 3.351 1.00 0.00 C ATOM 64 NE ARG A 5 -3.171 -0.439 2.588 1.00 0.00 N ATOM 65 CZ ARG A 5 -4.167 0.280 3.185 1.00 0.00 C ATOM 66 NH1 ARG A 5 -4.082 0.621 4.503 1.00 0.00 N ATOM 67 NH2 ARG A 5 -5.263 0.647 2.457 1.00 0.00 N ATOM 0 H ARG A 5 2.726 -2.461 2.874 1.00 0.00 H new ATOM 0 HA ARG A 5 1.176 -0.182 3.531 1.00 0.00 H new ATOM 0 HB2 ARG A 5 0.842 -2.480 2.030 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -0.070 -2.889 3.470 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -0.550 -0.376 1.839 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -1.387 -1.889 1.554 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -2.222 -1.733 3.994 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -1.609 -0.091 3.999 1.00 0.00 H new ATOM 0 HE ARG A 5 -3.249 -0.673 1.598 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -3.270 0.339 5.051 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -4.831 1.158 4.940 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -5.334 0.384 1.474 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -6.011 1.184 2.896 1.00 0.00 H new ATOM 81 N TYR A 6 1.794 -2.441 5.792 1.00 0.00 N ATOM 82 CA TYR A 6 1.734 -2.760 7.167 1.00 0.00 C ATOM 83 C TYR A 6 2.367 -1.653 7.929 1.00 0.00 C ATOM 84 O TYR A 6 1.868 -1.323 8.996 1.00 0.00 O ATOM 85 CB TYR A 6 2.545 -4.029 7.315 1.00 0.00 C ATOM 86 CG TYR A 6 2.987 -4.247 8.696 1.00 0.00 C ATOM 87 CD1 TYR A 6 2.155 -4.852 9.599 1.00 0.00 C ATOM 88 CD2 TYR A 6 4.297 -3.997 9.027 1.00 0.00 C ATOM 89 CE1 TYR A 6 2.642 -5.269 10.809 1.00 0.00 C ATOM 90 CE2 TYR A 6 4.786 -4.388 10.250 1.00 0.00 C ATOM 91 CZ TYR A 6 3.955 -5.033 11.148 1.00 0.00 C ATOM 92 OH TYR A 6 4.437 -5.458 12.402 1.00 0.00 O ATOM 0 H TYR A 6 2.516 -2.962 5.295 1.00 0.00 H new ATOM 0 HA TYR A 6 0.717 -2.894 7.534 1.00 0.00 H new ATOM 0 HB2 TYR A 6 1.947 -4.880 6.988 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.415 -3.980 6.660 1.00 0.00 H new ATOM 0 HD1 TYR A 6 1.113 -5.001 9.357 1.00 0.00 H new ATOM 0 HD2 TYR A 6 4.943 -3.492 8.324 1.00 0.00 H new ATOM 0 HE1 TYR A 6 1.993 -5.785 11.501 1.00 0.00 H new ATOM 0 HE2 TYR A 6 5.816 -4.192 10.509 1.00 0.00 H new ATOM 0 HH TYR A 6 5.383 -5.217 12.487 1.00 0.00 H new ATOM 102 N THR A 7 3.478 -1.059 7.432 1.00 0.00 N ATOM 103 CA THR A 7 4.087 0.053 8.093 1.00 0.00 C ATOM 104 C THR A 7 3.403 1.360 7.817 1.00 0.00 C ATOM 105 O THR A 7 3.707 2.340 8.486 1.00 0.00 O ATOM 106 CB THR A 7 5.553 0.237 7.822 1.00 0.00 C ATOM 107 OG1 THR A 7 5.757 1.084 6.700 1.00 0.00 O ATOM 108 CG2 THR A 7 6.258 -1.103 7.582 1.00 0.00 C ATOM 0 H THR A 7 3.948 -1.352 6.576 1.00 0.00 H new ATOM 0 HA THR A 7 3.967 -0.221 9.141 1.00 0.00 H new ATOM 0 HB THR A 7 5.984 0.701 8.709 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.179 0.796 5.963 1.00 0.00 H new ATOM 0 HG21 THR A 7 7.316 -0.928 7.390 1.00 0.00 H new ATOM 0 HG22 THR A 7 6.149 -1.734 8.464 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.810 -1.601 6.722 1.00 0.00 H new ATOM 116 N HIS A 8 2.463 1.420 6.846 1.00 0.00 N ATOM 117 CA HIS A 8 1.593 2.559 6.703 1.00 0.00 C ATOM 118 C HIS A 8 0.568 2.489 7.794 1.00 0.00 C ATOM 119 O HIS A 8 0.306 3.468 8.497 1.00 0.00 O ATOM 120 CB HIS A 8 0.846 2.604 5.361 1.00 0.00 C ATOM 121 CG HIS A 8 1.768 2.769 4.189 1.00 0.00 C ATOM 122 ND1 HIS A 8 1.298 2.854 2.907 1.00 0.00 N ATOM 123 CD2 HIS A 8 3.117 2.861 4.129 1.00 0.00 C ATOM 124 CE1 HIS A 8 2.335 2.997 2.093 1.00 0.00 C ATOM 125 NE2 HIS A 8 3.450 3.005 2.809 1.00 0.00 N ATOM 0 H HIS A 8 2.305 0.681 6.161 1.00 0.00 H new ATOM 0 HA HIS A 8 2.218 3.451 6.754 1.00 0.00 H new ATOM 0 HB2 HIS A 8 0.271 1.686 5.239 1.00 0.00 H new ATOM 0 HB3 HIS A 8 0.132 3.428 5.375 1.00 0.00 H new ATOM 0 HD1 HIS A 8 0.318 2.814 2.626 1.00 0.00 H new ATOM 0 HD2 HIS A 8 3.801 2.827 4.964 1.00 0.00 H new ATOM 0 HE1 HIS A 8 2.280 3.092 1.019 1.00 0.00 H new ATOM 134 N PHE A 9 0.006 1.274 7.955 1.00 0.00 N ATOM 135 CA PHE A 9 -0.942 0.880 8.962 1.00 0.00 C ATOM 136 C PHE A 9 -0.390 1.074 10.351 1.00 0.00 C ATOM 137 O PHE A 9 -1.142 1.397 11.263 1.00 0.00 O ATOM 138 CB PHE A 9 -1.347 -0.600 8.731 1.00 0.00 C ATOM 139 CG PHE A 9 -1.902 -1.288 9.931 1.00 0.00 C ATOM 140 CD1 PHE A 9 -3.188 -0.996 10.337 1.00 0.00 C ATOM 141 CD2 PHE A 9 -1.189 -2.281 10.594 1.00 0.00 C ATOM 142 CE1 PHE A 9 -3.730 -1.642 11.422 1.00 0.00 C ATOM 143 CE2 PHE A 9 -1.745 -2.917 11.688 1.00 0.00 C ATOM 144 CZ PHE A 9 -3.016 -2.584 12.115 1.00 0.00 C ATOM 0 H PHE A 9 0.234 0.502 7.328 1.00 0.00 H new ATOM 0 HA PHE A 9 -1.824 1.516 8.878 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -2.087 -0.640 7.932 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -0.473 -1.152 8.384 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.769 -0.259 9.802 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -0.201 -2.555 10.254 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.736 -1.403 11.734 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.184 -3.677 12.211 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.442 -3.061 12.985 1.00 0.00 H new ATOM 154 N LEU A 10 0.928 0.868 10.537 1.00 0.00 N ATOM 155 CA LEU A 10 1.561 0.879 11.820 1.00 0.00 C ATOM 156 C LEU A 10 2.394 2.126 12.023 1.00 0.00 C ATOM 157 O LEU A 10 2.911 2.335 13.114 1.00 0.00 O ATOM 158 CB LEU A 10 2.167 -0.502 12.138 1.00 0.00 C ATOM 159 CG LEU A 10 3.589 -0.962 11.773 1.00 0.00 C ATOM 160 CD1 LEU A 10 4.776 -0.011 11.941 1.00 0.00 C ATOM 161 CD2 LEU A 10 3.854 -2.128 12.718 1.00 0.00 C ATOM 0 H LEU A 10 1.574 0.688 9.768 1.00 0.00 H new ATOM 0 HA LEU A 10 0.836 0.994 12.625 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.086 -0.619 13.219 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.495 -1.232 11.687 1.00 0.00 H new ATOM 0 HG LEU A 10 3.561 -1.135 10.697 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.692 -0.515 11.633 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.623 0.874 11.324 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.859 0.286 12.987 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.851 -2.527 12.533 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.787 -1.783 13.750 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.114 -2.910 12.548 1.00 0.00 H new ATOM 173 N THR A 11 2.546 3.020 11.011 1.00 0.00 N ATOM 174 CA THR A 11 3.139 4.314 11.287 1.00 0.00 C ATOM 175 C THR A 11 2.039 5.183 11.796 1.00 0.00 C ATOM 176 O THR A 11 2.272 6.087 12.598 1.00 0.00 O ATOM 177 CB THR A 11 3.932 4.996 10.185 1.00 0.00 C ATOM 178 OG1 THR A 11 4.658 6.088 10.728 1.00 0.00 O ATOM 179 CG2 THR A 11 3.065 5.506 9.018 1.00 0.00 C ATOM 0 H THR A 11 2.272 2.861 10.041 1.00 0.00 H new ATOM 0 HA THR A 11 3.931 4.138 12.015 1.00 0.00 H new ATOM 0 HB THR A 11 4.600 4.237 9.777 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.170 6.526 10.017 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.702 5.980 8.272 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.536 4.668 8.564 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.342 6.231 9.392 1.00 0.00 H new ATOM 187 N GLN A 12 0.802 4.885 11.344 1.00 0.00 N ATOM 188 CA GLN A 12 -0.370 5.392 11.989 1.00 0.00 C ATOM 189 C GLN A 12 -0.489 4.762 13.339 1.00 0.00 C ATOM 190 O GLN A 12 -0.329 5.443 14.346 1.00 0.00 O ATOM 191 CB GLN A 12 -1.661 5.084 11.202 1.00 0.00 C ATOM 192 CG GLN A 12 -1.744 5.719 9.808 1.00 0.00 C ATOM 193 CD GLN A 12 -2.008 7.215 9.932 1.00 0.00 C ATOM 194 OE1 GLN A 12 -3.069 7.637 10.406 1.00 0.00 O ATOM 195 NE2 GLN A 12 -1.009 8.022 9.463 1.00 0.00 N ATOM 0 H GLN A 12 0.617 4.294 10.533 1.00 0.00 H new ATOM 0 HA GLN A 12 -0.262 6.475 12.053 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.754 4.003 11.097 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -2.515 5.422 11.789 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -0.814 5.549 9.266 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.540 5.247 9.231 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.156 7.610 9.084 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -1.116 9.036 9.493 1.00 0.00 H new ATOM 204 N HIS A 13 -0.807 3.457 13.396 1.00 0.00 N ATOM 205 CA HIS A 13 -1.424 2.918 14.559 1.00 0.00 C ATOM 206 C HIS A 13 -0.524 2.086 15.421 1.00 0.00 C ATOM 207 O HIS A 13 -1.033 1.401 16.301 1.00 0.00 O ATOM 208 CB HIS A 13 -2.609 2.041 14.141 1.00 0.00 C ATOM 209 CG HIS A 13 -3.644 2.808 13.369 1.00 0.00 C ATOM 210 ND1 HIS A 13 -3.853 2.904 12.037 1.00 0.00 N flip ATOM 211 CD2 HIS A 13 -4.644 3.512 13.985 1.00 0.00 C flip ATOM 212 CE1 HIS A 13 -4.990 3.647 11.859 1.00 0.00 C flip ATOM 213 NE2 HIS A 13 -5.452 3.995 13.052 1.00 0.00 N flip ATOM 0 H HIS A 13 -0.639 2.786 12.646 1.00 0.00 H new ATOM 0 HA HIS A 13 -1.725 3.781 15.153 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -2.247 1.211 13.533 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -3.069 1.609 15.030 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -3.273 2.499 11.302 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -4.755 3.650 15.050 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -5.434 3.905 10.909 1.00 0.00 H new ATOM 222 N TYR A 14 0.811 2.105 15.225 1.00 0.00 N ATOM 223 CA TYR A 14 1.703 1.504 16.176 1.00 0.00 C ATOM 224 C TYR A 14 2.504 2.568 16.841 1.00 0.00 C ATOM 225 O TYR A 14 3.146 3.385 16.182 1.00 0.00 O ATOM 226 CB TYR A 14 2.628 0.477 15.535 1.00 0.00 C ATOM 227 CG TYR A 14 3.286 -0.368 16.528 1.00 0.00 C ATOM 228 CD1 TYR A 14 2.529 -1.318 17.164 1.00 0.00 C ATOM 229 CD2 TYR A 14 4.640 -0.292 16.725 1.00 0.00 C ATOM 230 CE1 TYR A 14 3.109 -2.125 18.119 1.00 0.00 C ATOM 231 CE2 TYR A 14 5.237 -1.122 17.646 1.00 0.00 C ATOM 232 CZ TYR A 14 4.462 -2.001 18.375 1.00 0.00 C ATOM 233 OH TYR A 14 5.073 -2.780 19.373 1.00 0.00 O ATOM 0 H TYR A 14 1.269 2.531 14.419 1.00 0.00 H new ATOM 0 HA TYR A 14 1.098 0.973 16.911 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.055 -0.148 14.851 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.383 0.991 14.940 1.00 0.00 H new ATOM 0 HD1 TYR A 14 1.484 -1.433 16.918 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.233 0.413 16.162 1.00 0.00 H new ATOM 0 HE1 TYR A 14 2.514 -2.845 18.661 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.306 -1.086 17.797 1.00 0.00 H new ATOM 0 HH TYR A 14 4.526 -2.758 20.186 1.00 0.00 H new ATOM 243 N ASP A 15 2.500 2.545 18.188 1.00 0.00 N ATOM 244 CA ASP A 15 3.435 3.311 18.953 1.00 0.00 C ATOM 245 C ASP A 15 3.685 2.426 20.123 1.00 0.00 C ATOM 246 O ASP A 15 2.852 2.360 21.019 1.00 0.00 O ATOM 247 CB ASP A 15 2.926 4.682 19.444 1.00 0.00 C ATOM 248 CG ASP A 15 4.051 5.330 20.241 1.00 0.00 C ATOM 249 OD1 ASP A 15 5.136 5.574 19.648 1.00 0.00 O ATOM 250 OD2 ASP A 15 3.838 5.601 21.452 1.00 0.00 O ATOM 0 H ASP A 15 1.848 1.995 18.747 1.00 0.00 H new ATOM 0 HA ASP A 15 4.303 3.568 18.346 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.643 5.311 18.600 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.037 4.562 20.064 1.00 0.00 H new ATOM 255 N ALA A 16 4.832 1.711 20.092 1.00 0.00 N ATOM 256 CA ALA A 16 5.200 0.595 20.943 1.00 0.00 C ATOM 257 C ALA A 16 4.953 0.714 22.414 1.00 0.00 C ATOM 258 O ALA A 16 4.545 -0.257 23.048 1.00 0.00 O ATOM 259 CB ALA A 16 6.675 0.197 20.805 1.00 0.00 C ATOM 0 H ALA A 16 5.566 1.927 19.418 1.00 0.00 H new ATOM 0 HA ALA A 16 4.510 -0.154 20.553 1.00 0.00 H new ATOM 0 HB1 ALA A 16 6.889 -0.643 21.466 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.879 -0.092 19.774 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.307 1.043 21.077 1.00 0.00 H new ATOM 265 N LYS A 17 5.195 1.899 22.991 1.00 0.00 N ATOM 266 CA LYS A 17 4.805 2.142 24.347 1.00 0.00 C ATOM 267 C LYS A 17 4.642 3.633 24.425 1.00 0.00 C ATOM 268 O LYS A 17 5.493 4.333 23.875 1.00 0.00 O ATOM 269 CB LYS A 17 5.883 1.708 25.371 1.00 0.00 C ATOM 270 CG LYS A 17 5.411 1.641 26.833 1.00 0.00 C ATOM 271 CD LYS A 17 4.426 0.494 27.105 1.00 0.00 C ATOM 272 CE LYS A 17 3.951 0.455 28.559 1.00 0.00 C ATOM 273 NZ LYS A 17 2.988 -0.650 28.754 1.00 0.00 N ATOM 0 H LYS A 17 5.655 2.683 22.529 1.00 0.00 H new ATOM 0 HA LYS A 17 3.907 1.575 24.591 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.260 0.727 25.083 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.721 2.403 25.308 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.279 1.526 27.482 1.00 0.00 H new ATOM 0 HG3 LYS A 17 4.938 2.587 27.098 1.00 0.00 H new ATOM 0 HD2 LYS A 17 3.563 0.599 26.448 1.00 0.00 H new ATOM 0 HD3 LYS A 17 4.902 -0.455 26.857 1.00 0.00 H new ATOM 0 HE2 LYS A 17 4.804 0.324 29.224 1.00 0.00 H new ATOM 0 HE3 LYS A 17 3.484 1.404 28.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 2.673 -0.665 29.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.167 -0.508 28.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 3.446 -1.555 28.522 1.00 0.00 H new ATOM 287 N PRO A 18 3.616 4.175 25.065 1.00 0.00 N ATOM 288 CA PRO A 18 3.344 5.584 25.000 1.00 0.00 C ATOM 289 C PRO A 18 4.145 6.277 26.057 1.00 0.00 C ATOM 290 O PRO A 18 4.779 5.625 26.888 1.00 0.00 O ATOM 291 CB PRO A 18 1.854 5.696 25.340 1.00 0.00 C ATOM 292 CG PRO A 18 1.549 4.439 26.143 1.00 0.00 C ATOM 293 CD PRO A 18 2.417 3.441 25.399 1.00 0.00 C ATOM 0 HA PRO A 18 3.590 6.025 24.034 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.646 6.596 25.918 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.244 5.748 24.438 1.00 0.00 H new ATOM 0 HG2 PRO A 18 1.829 4.535 27.192 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.492 4.174 26.118 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.644 2.574 26.019 1.00 0.00 H new ATOM 0 HD3 PRO A 18 1.917 3.071 24.504 1.00 0.00 H new ATOM 301 N GLN A 19 4.074 7.624 26.035 1.00 0.00 N ATOM 302 CA GLN A 19 4.634 8.470 27.044 1.00 0.00 C ATOM 303 C GLN A 19 3.748 8.366 28.241 1.00 0.00 C ATOM 304 O GLN A 19 4.206 8.116 29.355 1.00 0.00 O ATOM 305 CB GLN A 19 4.712 9.939 26.569 1.00 0.00 C ATOM 306 CG GLN A 19 5.332 10.935 27.557 1.00 0.00 C ATOM 307 CD GLN A 19 6.770 10.519 27.872 1.00 0.00 C ATOM 308 OE1 GLN A 19 7.618 10.422 26.976 1.00 0.00 O ATOM 309 NE2 GLN A 19 7.034 10.273 29.191 1.00 0.00 N ATOM 0 H GLN A 19 3.610 8.140 25.288 1.00 0.00 H new ATOM 0 HA GLN A 19 5.652 8.155 27.273 1.00 0.00 H new ATOM 0 HB2 GLN A 19 5.287 9.970 25.644 1.00 0.00 H new ATOM 0 HB3 GLN A 19 3.704 10.276 26.329 1.00 0.00 H new ATOM 0 HG2 GLN A 19 5.318 11.939 27.133 1.00 0.00 H new ATOM 0 HG3 GLN A 19 4.743 10.967 28.474 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.294 10.370 29.886 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.971 9.993 29.480 1.00 0.00 H new ATOM 318 N GLY A 20 2.442 8.549 28.010 1.00 0.00 N ATOM 319 CA GLY A 20 1.467 8.362 29.039 1.00 0.00 C ATOM 320 C GLY A 20 0.175 8.143 28.346 1.00 0.00 C ATOM 321 O GLY A 20 0.120 8.030 27.126 1.00 0.00 O ATOM 0 H GLY A 20 2.056 8.828 27.108 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.722 7.508 29.667 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.417 9.234 29.691 1.00 0.00 H new ATOM 325 N ARG A 21 -0.909 8.067 29.138 1.00 0.00 N ATOM 326 CA ARG A 21 -2.227 7.808 28.624 1.00 0.00 C ATOM 327 C ARG A 21 -2.988 9.067 28.906 1.00 0.00 C ATOM 328 O ARG A 21 -3.901 9.079 29.730 1.00 0.00 O ATOM 329 CB ARG A 21 -2.946 6.627 29.323 1.00 0.00 C ATOM 330 CG ARG A 21 -2.490 5.201 28.935 1.00 0.00 C ATOM 331 CD ARG A 21 -1.016 4.889 29.219 1.00 0.00 C ATOM 332 NE ARG A 21 -0.805 3.418 29.292 1.00 0.00 N ATOM 333 CZ ARG A 21 0.422 2.937 29.649 1.00 0.00 C ATOM 334 NH1 ARG A 21 1.460 3.797 29.873 1.00 0.00 N ATOM 335 NH2 ARG A 21 0.620 1.596 29.787 1.00 0.00 N ATOM 0 H ARG A 21 -0.875 8.186 30.150 1.00 0.00 H new ATOM 0 HA ARG A 21 -2.168 7.535 27.570 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.820 6.742 30.399 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -4.013 6.710 29.117 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -3.108 4.480 29.471 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -2.678 5.053 27.872 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -0.389 5.315 28.435 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -0.713 5.354 30.157 1.00 0.00 H new ATOM 0 HE ARG A 21 -1.568 2.776 29.078 1.00 0.00 H new ATOM 0 HH11 ARG A 21 1.320 4.802 29.774 1.00 0.00 H new ATOM 0 HH12 ARG A 21 2.375 3.434 30.140 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -0.150 0.947 29.623 1.00 0.00 H new ATOM 0 HH22 ARG A 21 1.538 1.241 30.054 1.00 0.00 H new ATOM 349 N ASP A 22 -2.597 10.173 28.237 1.00 0.00 N ATOM 350 CA ASP A 22 -3.145 11.463 28.546 1.00 0.00 C ATOM 351 C ASP A 22 -3.126 12.291 27.303 1.00 0.00 C ATOM 352 O ASP A 22 -2.593 11.883 26.271 1.00 0.00 O ATOM 353 CB ASP A 22 -2.409 12.216 29.684 1.00 0.00 C ATOM 354 CG ASP A 22 -0.947 12.501 29.343 1.00 0.00 C ATOM 355 OD1 ASP A 22 -0.155 11.536 29.184 1.00 0.00 O ATOM 356 OD2 ASP A 22 -0.598 13.710 29.271 1.00 0.00 O ATOM 0 H ASP A 22 -1.906 10.174 27.487 1.00 0.00 H new ATOM 0 HA ASP A 22 -4.159 11.298 28.912 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -2.922 13.156 29.885 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.457 11.624 30.598 1.00 0.00 H new ATOM 361 N ASP A 23 -3.739 13.491 27.401 1.00 0.00 N ATOM 362 CA ASP A 23 -4.001 14.372 26.295 1.00 0.00 C ATOM 363 C ASP A 23 -2.760 14.998 25.732 1.00 0.00 C ATOM 364 O ASP A 23 -2.756 15.398 24.572 1.00 0.00 O ATOM 365 CB ASP A 23 -4.991 15.511 26.640 1.00 0.00 C ATOM 366 CG ASP A 23 -4.425 16.456 27.699 1.00 0.00 C ATOM 367 OD1 ASP A 23 -4.259 16.024 28.871 1.00 0.00 O ATOM 368 OD2 ASP A 23 -4.169 17.639 27.346 1.00 0.00 O ATOM 0 H ASP A 23 -4.067 13.864 28.292 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.450 13.717 25.548 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.224 16.075 25.737 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.927 15.082 26.999 1.00 0.00 H new ATOM 373 N ARG A 24 -1.681 15.089 26.539 1.00 0.00 N ATOM 374 CA ARG A 24 -0.444 15.667 26.105 1.00 0.00 C ATOM 375 C ARG A 24 0.371 14.626 25.397 1.00 0.00 C ATOM 376 O ARG A 24 1.249 14.973 24.609 1.00 0.00 O ATOM 377 CB ARG A 24 0.384 16.246 27.269 1.00 0.00 C ATOM 378 CG ARG A 24 0.874 17.686 27.040 1.00 0.00 C ATOM 379 CD ARG A 24 1.958 17.830 25.965 1.00 0.00 C ATOM 380 NE ARG A 24 2.346 19.270 25.869 1.00 0.00 N ATOM 381 CZ ARG A 24 1.732 20.131 25.002 1.00 0.00 C ATOM 382 NH1 ARG A 24 0.709 19.712 24.201 1.00 0.00 N ATOM 383 NH2 ARG A 24 2.148 21.430 24.941 1.00 0.00 N ATOM 0 H ARG A 24 -1.669 14.757 27.503 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.692 16.491 25.436 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -0.219 16.219 28.177 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.248 15.603 27.441 1.00 0.00 H new ATOM 0 HG2 ARG A 24 0.021 18.306 26.762 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.260 18.078 27.981 1.00 0.00 H new ATOM 0 HD2 ARG A 24 2.825 17.221 26.218 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.588 17.473 25.004 1.00 0.00 H new ATOM 0 HE ARG A 24 3.092 19.622 26.469 1.00 0.00 H new ATOM 0 HH11 ARG A 24 0.392 18.744 24.244 1.00 0.00 H new ATOM 0 HH12 ARG A 24 0.262 20.367 23.560 1.00 0.00 H new ATOM 0 HH21 ARG A 24 2.910 21.750 25.539 1.00 0.00 H new ATOM 0 HH22 ARG A 24 1.697 22.080 24.298 1.00 0.00 H new ATOM 397 N TYR A 25 0.086 13.324 25.648 1.00 0.00 N ATOM 398 CA TYR A 25 0.738 12.266 24.927 1.00 0.00 C ATOM 399 C TYR A 25 0.146 12.247 23.562 1.00 0.00 C ATOM 400 O TYR A 25 0.888 12.115 22.594 1.00 0.00 O ATOM 401 CB TYR A 25 0.586 10.866 25.565 1.00 0.00 C ATOM 402 CG TYR A 25 0.712 9.765 24.548 1.00 0.00 C ATOM 403 CD1 TYR A 25 1.923 9.431 23.956 1.00 0.00 C ATOM 404 CD2 TYR A 25 -0.421 9.048 24.194 1.00 0.00 C ATOM 405 CE1 TYR A 25 1.986 8.426 23.012 1.00 0.00 C ATOM 406 CE2 TYR A 25 -0.358 8.052 23.244 1.00 0.00 C ATOM 407 CZ TYR A 25 0.846 7.737 22.659 1.00 0.00 C ATOM 408 OH TYR A 25 0.906 6.688 21.721 1.00 0.00 O ATOM 0 H TYR A 25 -0.590 13.010 26.344 1.00 0.00 H new ATOM 0 HA TYR A 25 1.809 12.471 24.930 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.345 10.735 26.336 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.384 10.795 26.057 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.821 9.961 24.236 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.365 9.273 24.669 1.00 0.00 H new ATOM 0 HE1 TYR A 25 2.930 8.179 22.549 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -1.253 7.519 22.959 1.00 0.00 H new ATOM 0 HH TYR A 25 1.828 6.364 21.651 1.00 0.00 H new ATOM 418 N CYS A 26 -1.199 12.367 23.469 1.00 0.00 N ATOM 419 CA CYS A 26 -1.900 12.293 22.218 1.00 0.00 C ATOM 420 C CYS A 26 -1.609 13.440 21.309 1.00 0.00 C ATOM 421 O CYS A 26 -1.548 13.258 20.095 1.00 0.00 O ATOM 422 CB CYS A 26 -3.417 12.277 22.370 1.00 0.00 C ATOM 423 SG CYS A 26 -4.053 10.658 22.850 1.00 0.00 S ATOM 0 H CYS A 26 -1.806 12.517 24.275 1.00 0.00 H new ATOM 0 HA CYS A 26 -1.539 11.354 21.799 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -3.711 13.014 23.117 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -3.875 12.578 21.428 1.00 0.00 H new ATOM 428 N GLU A 27 -1.431 14.643 21.880 1.00 0.00 N ATOM 429 CA GLU A 27 -1.127 15.820 21.115 1.00 0.00 C ATOM 430 C GLU A 27 0.296 15.791 20.658 1.00 0.00 C ATOM 431 O GLU A 27 0.584 16.258 19.557 1.00 0.00 O ATOM 432 CB GLU A 27 -1.388 17.132 21.873 1.00 0.00 C ATOM 433 CG GLU A 27 -2.887 17.432 21.996 1.00 0.00 C ATOM 434 CD GLU A 27 -3.081 18.629 22.912 1.00 0.00 C ATOM 435 OE1 GLU A 27 -2.555 19.725 22.580 1.00 0.00 O ATOM 436 OE2 GLU A 27 -3.764 18.464 23.959 1.00 0.00 O ATOM 0 H GLU A 27 -1.498 14.806 22.885 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.804 15.803 20.261 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.947 17.070 22.868 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.894 17.955 21.356 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.311 17.638 21.013 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.413 16.564 22.395 1.00 0.00 H new ATOM 443 N SER A 28 1.209 15.225 21.484 1.00 0.00 N ATOM 444 CA SER A 28 2.597 15.102 21.131 1.00 0.00 C ATOM 445 C SER A 28 2.819 14.113 20.029 1.00 0.00 C ATOM 446 O SER A 28 3.686 14.331 19.186 1.00 0.00 O ATOM 447 CB SER A 28 3.490 14.690 22.314 1.00 0.00 C ATOM 448 OG SER A 28 4.854 14.645 21.920 1.00 0.00 O ATOM 0 H SER A 28 0.980 14.850 22.404 1.00 0.00 H new ATOM 0 HA SER A 28 2.878 16.102 20.801 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.366 15.398 23.134 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.181 13.713 22.687 1.00 0.00 H new ATOM 0 HG SER A 28 5.407 14.383 22.685 1.00 0.00 H new ATOM 454 N ILE A 29 2.047 13.005 20.010 1.00 0.00 N ATOM 455 CA ILE A 29 2.253 11.955 19.049 1.00 0.00 C ATOM 456 C ILE A 29 1.595 12.283 17.747 1.00 0.00 C ATOM 457 O ILE A 29 2.067 11.858 16.694 1.00 0.00 O ATOM 458 CB ILE A 29 1.933 10.544 19.529 1.00 0.00 C ATOM 459 CG1 ILE A 29 2.434 9.501 18.515 1.00 0.00 C ATOM 460 CG2 ILE A 29 0.442 10.315 19.835 1.00 0.00 C ATOM 461 CD1 ILE A 29 2.784 8.177 19.169 1.00 0.00 C ATOM 0 H ILE A 29 1.280 12.835 20.660 1.00 0.00 H new ATOM 0 HA ILE A 29 3.332 11.923 18.896 1.00 0.00 H new ATOM 0 HB ILE A 29 2.461 10.423 20.475 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.667 9.337 17.758 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.312 9.892 18.000 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.293 9.289 20.171 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.121 11.003 20.617 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.146 10.491 18.934 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.132 7.477 18.410 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.571 8.333 19.907 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.901 7.769 19.661 1.00 0.00 H new ATOM 473 N MET A 30 0.508 13.081 17.775 1.00 0.00 N ATOM 474 CA MET A 30 -0.114 13.483 16.549 1.00 0.00 C ATOM 475 C MET A 30 0.677 14.593 15.916 1.00 0.00 C ATOM 476 O MET A 30 0.621 14.757 14.699 1.00 0.00 O ATOM 477 CB MET A 30 -1.582 13.899 16.708 1.00 0.00 C ATOM 478 CG MET A 30 -2.502 12.727 17.100 1.00 0.00 C ATOM 479 SD MET A 30 -3.569 12.171 15.743 1.00 0.00 S ATOM 480 CE MET A 30 -4.758 11.249 16.743 1.00 0.00 C ATOM 0 H MET A 30 0.070 13.440 18.623 1.00 0.00 H new ATOM 0 HA MET A 30 -0.118 12.606 15.902 1.00 0.00 H new ATOM 0 HB2 MET A 30 -1.653 14.678 17.467 1.00 0.00 H new ATOM 0 HB3 MET A 30 -1.934 14.333 15.772 1.00 0.00 H new ATOM 0 HG2 MET A 30 -1.890 11.891 17.438 1.00 0.00 H new ATOM 0 HG3 MET A 30 -3.124 13.028 17.943 1.00 0.00 H new ATOM 0 HE1 MET A 30 -5.656 11.057 16.156 1.00 0.00 H new ATOM 0 HE2 MET A 30 -4.317 10.301 17.051 1.00 0.00 H new ATOM 0 HE3 MET A 30 -5.020 11.831 17.626 1.00 0.00 H new ATOM 490 N ARG A 31 1.448 15.369 16.716 1.00 0.00 N ATOM 491 CA ARG A 31 2.357 16.347 16.177 1.00 0.00 C ATOM 492 C ARG A 31 3.567 15.717 15.543 1.00 0.00 C ATOM 493 O ARG A 31 4.009 16.180 14.493 1.00 0.00 O ATOM 494 CB ARG A 31 2.892 17.329 17.235 1.00 0.00 C ATOM 495 CG ARG A 31 2.529 18.798 16.973 1.00 0.00 C ATOM 496 CD ARG A 31 3.242 19.398 15.754 1.00 0.00 C ATOM 497 NE ARG A 31 2.833 20.828 15.618 1.00 0.00 N ATOM 498 CZ ARG A 31 3.551 21.850 16.178 1.00 0.00 C ATOM 499 NH1 ARG A 31 4.669 21.600 16.920 1.00 0.00 N ATOM 500 NH2 ARG A 31 3.140 23.139 15.990 1.00 0.00 N ATOM 0 H ARG A 31 1.441 15.318 17.735 1.00 0.00 H new ATOM 0 HA ARG A 31 1.756 16.878 15.438 1.00 0.00 H new ATOM 0 HB2 ARG A 31 2.504 17.040 18.212 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.977 17.238 17.283 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.451 18.877 16.829 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.777 19.388 17.855 1.00 0.00 H new ATOM 0 HD2 ARG A 31 4.323 19.324 15.874 1.00 0.00 H new ATOM 0 HD3 ARG A 31 2.982 18.843 14.853 1.00 0.00 H new ATOM 0 HE ARG A 31 1.989 21.051 15.090 1.00 0.00 H new ATOM 0 HH11 ARG A 31 4.981 20.640 17.064 1.00 0.00 H new ATOM 0 HH12 ARG A 31 5.192 22.373 17.330 1.00 0.00 H new ATOM 0 HH21 ARG A 31 2.305 23.333 15.437 1.00 0.00 H new ATOM 0 HH22 ARG A 31 3.668 23.908 16.403 1.00 0.00 H new ATOM 514 N ARG A 32 4.149 14.681 16.192 1.00 0.00 N ATOM 515 CA ARG A 32 5.428 14.141 15.801 1.00 0.00 C ATOM 516 C ARG A 32 5.317 13.278 14.586 1.00 0.00 C ATOM 517 O ARG A 32 6.143 13.395 13.682 1.00 0.00 O ATOM 518 CB ARG A 32 6.108 13.277 16.881 1.00 0.00 C ATOM 519 CG ARG A 32 7.302 13.932 17.606 1.00 0.00 C ATOM 520 CD ARG A 32 6.964 14.955 18.703 1.00 0.00 C ATOM 521 NE ARG A 32 6.416 16.210 18.102 1.00 0.00 N ATOM 522 CZ ARG A 32 7.218 17.245 17.705 1.00 0.00 C ATOM 523 NH1 ARG A 32 8.572 17.182 17.853 1.00 0.00 N ATOM 524 NH2 ARG A 32 6.653 18.355 17.145 1.00 0.00 N ATOM 0 H ARG A 32 3.729 14.213 16.995 1.00 0.00 H new ATOM 0 HA ARG A 32 6.032 15.029 15.616 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.360 13.003 17.625 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.451 12.352 16.418 1.00 0.00 H new ATOM 0 HG2 ARG A 32 7.905 13.141 18.052 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.925 14.426 16.860 1.00 0.00 H new ATOM 0 HD2 ARG A 32 6.237 14.529 19.394 1.00 0.00 H new ATOM 0 HD3 ARG A 32 7.858 15.183 19.283 1.00 0.00 H new ATOM 0 HE ARG A 32 5.407 16.298 17.984 1.00 0.00 H new ATOM 0 HH11 ARG A 32 9.002 16.354 18.265 1.00 0.00 H new ATOM 0 HH12 ARG A 32 9.155 17.963 17.551 1.00 0.00 H new ATOM 0 HH21 ARG A 32 5.641 18.407 17.026 1.00 0.00 H new ATOM 0 HH22 ARG A 32 7.243 19.132 16.846 1.00 0.00 H new ATOM 538 N ARG A 33 4.302 12.384 14.542 1.00 0.00 N ATOM 539 CA ARG A 33 4.113 11.498 13.422 1.00 0.00 C ATOM 540 C ARG A 33 3.495 12.209 12.247 1.00 0.00 C ATOM 541 O ARG A 33 3.657 11.762 11.113 1.00 0.00 O ATOM 542 CB ARG A 33 3.244 10.277 13.786 1.00 0.00 C ATOM 543 CG ARG A 33 3.958 8.914 13.819 1.00 0.00 C ATOM 544 CD ARG A 33 5.289 8.847 14.585 1.00 0.00 C ATOM 545 NE ARG A 33 5.095 9.272 16.001 1.00 0.00 N ATOM 546 CZ ARG A 33 6.173 9.397 16.829 1.00 0.00 C ATOM 547 NH1 ARG A 33 7.431 9.140 16.365 1.00 0.00 N ATOM 548 NH2 ARG A 33 6.002 9.791 18.125 1.00 0.00 N ATOM 0 H ARG A 33 3.611 12.274 15.284 1.00 0.00 H new ATOM 0 HA ARG A 33 5.108 11.149 13.146 1.00 0.00 H new ATOM 0 HB2 ARG A 33 2.800 10.454 14.766 1.00 0.00 H new ATOM 0 HB3 ARG A 33 2.424 10.216 13.071 1.00 0.00 H new ATOM 0 HG2 ARG A 33 3.277 8.184 14.257 1.00 0.00 H new ATOM 0 HG3 ARG A 33 4.142 8.602 12.791 1.00 0.00 H new ATOM 0 HD2 ARG A 33 5.683 7.831 14.554 1.00 0.00 H new ATOM 0 HD3 ARG A 33 6.026 9.490 14.103 1.00 0.00 H new ATOM 0 HE ARG A 33 4.157 9.469 16.351 1.00 0.00 H new ATOM 0 HH11 ARG A 33 7.568 8.853 15.396 1.00 0.00 H new ATOM 0 HH12 ARG A 33 8.233 9.235 16.987 1.00 0.00 H new ATOM 0 HH21 ARG A 33 5.066 9.993 18.477 1.00 0.00 H new ATOM 0 HH22 ARG A 33 6.810 9.883 18.741 1.00 0.00 H new ATOM 562 N GLY A 34 2.802 13.345 12.487 1.00 0.00 N ATOM 563 CA GLY A 34 2.402 14.233 11.426 1.00 0.00 C ATOM 564 C GLY A 34 1.035 13.881 10.942 1.00 0.00 C ATOM 565 O GLY A 34 0.822 13.633 9.755 1.00 0.00 O ATOM 0 H GLY A 34 2.518 13.650 13.418 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.415 15.263 11.781 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.114 14.170 10.603 1.00 0.00 H new ATOM 569 N LEU A 35 0.077 13.872 11.884 1.00 0.00 N ATOM 570 CA LEU A 35 -1.306 13.581 11.635 1.00 0.00 C ATOM 571 C LEU A 35 -2.088 14.829 11.766 1.00 0.00 C ATOM 572 O LEU A 35 -3.243 14.904 11.356 1.00 0.00 O ATOM 573 CB LEU A 35 -1.930 12.773 12.764 1.00 0.00 C ATOM 574 CG LEU A 35 -1.589 11.280 12.815 1.00 0.00 C ATOM 575 CD1 LEU A 35 -1.970 10.588 11.505 1.00 0.00 C ATOM 576 CD2 LEU A 35 -0.149 10.945 13.221 1.00 0.00 C ATOM 0 H LEU A 35 0.271 14.076 12.864 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.330 13.083 10.666 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.629 13.223 13.710 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.013 12.872 12.694 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.198 10.885 13.628 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.718 9.529 11.566 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.041 10.697 11.334 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.423 11.044 10.680 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.014 9.863 13.225 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.544 11.394 12.509 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.049 11.339 14.218 1.00 0.00 H new ATOM 588 N THR A 36 -1.450 15.816 12.405 1.00 0.00 N ATOM 589 CA THR A 36 -2.065 17.006 12.936 1.00 0.00 C ATOM 590 C THR A 36 -2.408 18.016 11.868 1.00 0.00 C ATOM 591 O THR A 36 -3.140 18.967 12.129 1.00 0.00 O ATOM 592 CB THR A 36 -1.171 17.652 13.985 1.00 0.00 C ATOM 593 OG1 THR A 36 -1.795 18.763 14.610 1.00 0.00 O ATOM 594 CG2 THR A 36 0.184 18.090 13.388 1.00 0.00 C ATOM 0 H THR A 36 -0.443 15.791 12.566 1.00 0.00 H new ATOM 0 HA THR A 36 -3.001 16.688 13.396 1.00 0.00 H new ATOM 0 HB THR A 36 -0.993 16.888 14.741 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.768 18.674 14.540 1.00 0.00 H new ATOM 0 HG21 THR A 36 0.794 18.547 14.167 1.00 0.00 H new ATOM 0 HG22 THR A 36 0.702 17.220 12.984 1.00 0.00 H new ATOM 0 HG23 THR A 36 0.013 18.813 12.590 1.00 0.00 H new ATOM 602 N SER A 37 -1.912 17.826 10.630 1.00 0.00 N ATOM 603 CA SER A 37 -2.230 18.725 9.553 1.00 0.00 C ATOM 604 C SER A 37 -2.807 17.934 8.416 1.00 0.00 C ATOM 605 O SER A 37 -2.040 17.236 7.755 1.00 0.00 O ATOM 606 CB SER A 37 -0.996 19.479 9.032 1.00 0.00 C ATOM 607 OG SER A 37 -1.376 20.360 7.985 1.00 0.00 O ATOM 0 H SER A 37 -1.294 17.056 10.372 1.00 0.00 H new ATOM 0 HA SER A 37 -2.938 19.458 9.939 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.533 20.042 9.843 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.251 18.770 8.670 1.00 0.00 H new ATOM 0 HG SER A 37 -0.586 20.839 7.658 1.00 0.00 H new ATOM 613 N PRO A 38 -4.094 17.993 8.087 1.00 0.00 N ATOM 614 CA PRO A 38 -5.214 18.375 8.920 1.00 0.00 C ATOM 615 C PRO A 38 -5.447 17.248 9.887 1.00 0.00 C ATOM 616 O PRO A 38 -5.037 16.127 9.586 1.00 0.00 O ATOM 617 CB PRO A 38 -6.388 18.471 7.944 1.00 0.00 C ATOM 618 CG PRO A 38 -6.032 17.522 6.796 1.00 0.00 C ATOM 619 CD PRO A 38 -4.505 17.573 6.761 1.00 0.00 C ATOM 0 HA PRO A 38 -5.069 19.302 9.476 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.323 18.178 8.422 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.520 19.492 7.585 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -6.397 16.512 6.981 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.468 17.850 5.852 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -4.087 16.598 6.512 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.154 18.273 6.003 1.00 0.00 H new ATOM 627 N CYS A 39 -6.108 17.543 11.042 1.00 0.00 N ATOM 628 CA CYS A 39 -6.303 16.644 12.140 1.00 0.00 C ATOM 629 C CYS A 39 -6.951 15.359 11.742 1.00 0.00 C ATOM 630 O CYS A 39 -7.991 15.346 11.080 1.00 0.00 O ATOM 631 CB CYS A 39 -7.258 17.222 13.196 1.00 0.00 C ATOM 632 SG CYS A 39 -6.893 18.928 13.706 1.00 0.00 S ATOM 0 H CYS A 39 -6.524 18.460 11.207 1.00 0.00 H new ATOM 0 HA CYS A 39 -5.293 16.487 12.520 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -8.275 17.185 12.804 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -7.232 16.581 14.077 1.00 0.00 H new ATOM 637 N LYS A 40 -6.327 14.246 12.176 1.00 0.00 N ATOM 638 CA LYS A 40 -6.893 12.939 12.040 1.00 0.00 C ATOM 639 C LYS A 40 -7.920 12.867 13.120 1.00 0.00 C ATOM 640 O LYS A 40 -7.647 13.257 14.254 1.00 0.00 O ATOM 641 CB LYS A 40 -5.838 11.831 12.242 1.00 0.00 C ATOM 642 CG LYS A 40 -6.295 10.407 11.884 1.00 0.00 C ATOM 643 CD LYS A 40 -6.564 10.200 10.388 1.00 0.00 C ATOM 644 CE LYS A 40 -6.828 8.734 10.022 1.00 0.00 C ATOM 645 NZ LYS A 40 -8.068 8.249 10.666 1.00 0.00 N ATOM 0 H LYS A 40 -5.413 14.255 12.629 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.304 12.784 11.042 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -4.962 12.074 11.641 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.522 11.841 13.285 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.532 9.699 12.208 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.202 10.176 12.442 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.423 10.803 10.092 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -5.709 10.563 9.817 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.911 8.634 8.940 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -5.985 8.118 10.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.265 7.277 10.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -7.951 8.262 11.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.862 8.866 10.400 1.00 0.00 H new ATOM 659 N ASP A 41 -9.134 12.394 12.767 1.00 0.00 N ATOM 660 CA ASP A 41 -10.280 12.466 13.632 1.00 0.00 C ATOM 661 C ASP A 41 -10.194 11.447 14.711 1.00 0.00 C ATOM 662 O ASP A 41 -10.575 11.727 15.845 1.00 0.00 O ATOM 663 CB ASP A 41 -11.623 12.244 12.913 1.00 0.00 C ATOM 664 CG ASP A 41 -11.911 13.428 11.997 1.00 0.00 C ATOM 665 OD1 ASP A 41 -11.206 13.580 10.964 1.00 0.00 O ATOM 666 OD2 ASP A 41 -12.859 14.194 12.319 1.00 0.00 O ATOM 0 H ASP A 41 -9.324 11.954 11.867 1.00 0.00 H new ATOM 0 HA ASP A 41 -10.260 13.481 14.028 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.589 11.322 12.333 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -12.424 12.132 13.643 1.00 0.00 H new ATOM 671 N ILE A 42 -9.698 10.240 14.383 1.00 0.00 N ATOM 672 CA ILE A 42 -9.487 9.262 15.402 1.00 0.00 C ATOM 673 C ILE A 42 -8.294 8.479 14.952 1.00 0.00 C ATOM 674 O ILE A 42 -8.180 8.129 13.778 1.00 0.00 O ATOM 675 CB ILE A 42 -10.717 8.390 15.650 1.00 0.00 C ATOM 676 CG1 ILE A 42 -10.590 7.621 16.979 1.00 0.00 C ATOM 677 CG2 ILE A 42 -11.044 7.476 14.446 1.00 0.00 C ATOM 678 CD1 ILE A 42 -11.918 7.009 17.425 1.00 0.00 C ATOM 0 H ILE A 42 -9.449 9.947 13.438 1.00 0.00 H new ATOM 0 HA ILE A 42 -9.310 9.728 16.372 1.00 0.00 H new ATOM 0 HB ILE A 42 -11.578 9.051 15.750 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -9.847 6.831 16.869 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -10.225 8.296 17.753 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -11.926 6.877 14.673 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -11.238 8.089 13.566 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -10.198 6.817 14.249 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -11.776 6.478 18.366 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -12.655 7.800 17.562 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -12.271 6.312 16.665 1.00 0.00 H new ATOM 690 N ASN A 43 -7.355 8.196 15.874 1.00 0.00 N ATOM 691 CA ASN A 43 -6.217 7.404 15.514 1.00 0.00 C ATOM 692 C ASN A 43 -5.796 6.667 16.739 1.00 0.00 C ATOM 693 O ASN A 43 -5.471 7.268 17.762 1.00 0.00 O ATOM 694 CB ASN A 43 -5.028 8.222 14.984 1.00 0.00 C ATOM 695 CG ASN A 43 -4.174 7.327 14.093 1.00 0.00 C ATOM 696 OD1 ASN A 43 -4.608 6.899 13.016 1.00 0.00 O ATOM 697 ND2 ASN A 43 -2.920 7.061 14.561 1.00 0.00 N ATOM 0 H ASN A 43 -7.380 8.506 16.845 1.00 0.00 H new ATOM 0 HA ASN A 43 -6.510 6.743 14.698 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -5.384 9.085 14.421 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -4.434 8.606 15.814 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -2.284 6.480 14.014 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -2.619 7.443 15.458 1.00 0.00 H new ATOM 704 N THR A 44 -5.817 5.325 16.640 1.00 0.00 N ATOM 705 CA THR A 44 -5.561 4.465 17.755 1.00 0.00 C ATOM 706 C THR A 44 -4.134 4.049 17.717 1.00 0.00 C ATOM 707 O THR A 44 -3.751 3.228 16.890 1.00 0.00 O ATOM 708 CB THR A 44 -6.436 3.243 17.703 1.00 0.00 C ATOM 709 OG1 THR A 44 -7.782 3.672 17.598 1.00 0.00 O ATOM 710 CG2 THR A 44 -6.270 2.393 18.975 1.00 0.00 C ATOM 0 H THR A 44 -6.015 4.829 15.771 1.00 0.00 H new ATOM 0 HA THR A 44 -5.780 5.005 18.676 1.00 0.00 H new ATOM 0 HB THR A 44 -6.153 2.631 16.847 1.00 0.00 H new ATOM 0 HG1 THR A 44 -8.353 2.907 17.377 1.00 0.00 H new ATOM 0 HG21 THR A 44 -6.913 1.515 18.913 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.231 2.076 19.068 1.00 0.00 H new ATOM 0 HG23 THR A 44 -6.548 2.985 19.847 1.00 0.00 H new ATOM 718 N PHE A 45 -3.320 4.594 18.642 1.00 0.00 N ATOM 719 CA PHE A 45 -1.954 4.174 18.756 1.00 0.00 C ATOM 720 C PHE A 45 -1.956 2.992 19.674 1.00 0.00 C ATOM 721 O PHE A 45 -2.343 3.094 20.835 1.00 0.00 O ATOM 722 CB PHE A 45 -1.017 5.254 19.315 1.00 0.00 C ATOM 723 CG PHE A 45 -0.966 6.419 18.374 1.00 0.00 C ATOM 724 CD1 PHE A 45 -0.086 6.460 17.304 1.00 0.00 C ATOM 725 CD2 PHE A 45 -1.795 7.506 18.586 1.00 0.00 C ATOM 726 CE1 PHE A 45 -0.028 7.563 16.483 1.00 0.00 C ATOM 727 CE2 PHE A 45 -1.757 8.601 17.745 1.00 0.00 C ATOM 728 CZ PHE A 45 -0.861 8.638 16.695 1.00 0.00 C ATOM 0 H PHE A 45 -3.602 5.317 19.304 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.573 3.945 17.761 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.367 5.581 20.294 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -0.017 4.844 19.455 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.561 5.617 17.112 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.481 7.498 19.420 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.677 7.585 15.665 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.429 9.430 17.909 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.814 9.501 16.047 1.00 0.00 H new ATOM 738 N ILE A 46 -1.537 1.831 19.133 1.00 0.00 N ATOM 739 CA ILE A 46 -1.552 0.564 19.809 1.00 0.00 C ATOM 740 C ILE A 46 -0.167 0.364 20.314 1.00 0.00 C ATOM 741 O ILE A 46 0.806 0.789 19.706 1.00 0.00 O ATOM 742 CB ILE A 46 -1.873 -0.590 18.879 1.00 0.00 C ATOM 743 CG1 ILE A 46 -3.231 -0.351 18.181 1.00 0.00 C ATOM 744 CG2 ILE A 46 -1.809 -1.943 19.616 1.00 0.00 C ATOM 745 CD1 ILE A 46 -3.612 -1.462 17.206 1.00 0.00 C ATOM 0 H ILE A 46 -1.171 1.771 18.183 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.315 0.578 20.587 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.112 -0.637 18.100 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.010 -0.259 18.938 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.194 0.597 17.644 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.044 -2.748 18.920 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.806 -2.092 20.017 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.531 -1.947 20.433 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.575 -1.232 16.751 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.852 -1.540 16.428 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.681 -2.409 17.742 1.00 0.00 H new ATOM 757 N HIS A 47 -0.084 -0.315 21.463 1.00 0.00 N ATOM 758 CA HIS A 47 1.103 -0.458 22.262 1.00 0.00 C ATOM 759 C HIS A 47 1.197 -1.868 22.734 1.00 0.00 C ATOM 760 O HIS A 47 0.257 -2.405 23.322 1.00 0.00 O ATOM 761 CB HIS A 47 1.107 0.362 23.557 1.00 0.00 C ATOM 762 CG HIS A 47 0.290 1.606 23.505 1.00 0.00 C ATOM 763 ND1 HIS A 47 0.505 2.624 22.608 1.00 0.00 N ATOM 764 CD2 HIS A 47 -0.691 2.041 24.337 1.00 0.00 C ATOM 765 CE1 HIS A 47 -0.334 3.622 22.941 1.00 0.00 C ATOM 766 NE2 HIS A 47 -1.085 3.317 23.981 1.00 0.00 N ATOM 0 H HIS A 47 -0.888 -0.796 21.866 1.00 0.00 H new ATOM 0 HA HIS A 47 1.914 -0.125 21.615 1.00 0.00 H new ATOM 0 HB2 HIS A 47 0.740 -0.265 24.370 1.00 0.00 H new ATOM 0 HB3 HIS A 47 2.136 0.628 23.800 1.00 0.00 H new ATOM 0 HD1 HIS A 47 1.173 2.623 21.837 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -1.103 1.473 25.158 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -0.386 4.565 22.417 1.00 0.00 H new ATOM 774 N GLY A 48 2.371 -2.490 22.540 1.00 0.00 N ATOM 775 CA GLY A 48 2.578 -3.790 23.094 1.00 0.00 C ATOM 776 C GLY A 48 3.753 -4.352 22.389 1.00 0.00 C ATOM 777 O GLY A 48 4.757 -3.666 22.206 1.00 0.00 O ATOM 0 H GLY A 48 3.157 -2.107 22.015 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.758 -3.732 24.168 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.700 -4.419 22.951 1.00 0.00 H new ATOM 781 N ASN A 49 3.635 -5.630 21.977 1.00 0.00 N ATOM 782 CA ASN A 49 4.639 -6.255 21.173 1.00 0.00 C ATOM 783 C ASN A 49 4.181 -6.176 19.761 1.00 0.00 C ATOM 784 O ASN A 49 3.005 -6.339 19.442 1.00 0.00 O ATOM 785 CB ASN A 49 4.888 -7.733 21.503 1.00 0.00 C ATOM 786 CG ASN A 49 5.887 -7.812 22.654 1.00 0.00 C ATOM 787 OD1 ASN A 49 5.586 -7.465 23.802 1.00 0.00 O ATOM 788 ND2 ASN A 49 7.122 -8.290 22.307 1.00 0.00 N ATOM 0 H ASN A 49 2.842 -6.230 22.202 1.00 0.00 H new ATOM 0 HA ASN A 49 5.576 -5.732 21.364 1.00 0.00 H new ATOM 0 HB2 ASN A 49 3.954 -8.222 21.779 1.00 0.00 H new ATOM 0 HB3 ASN A 49 5.276 -8.256 20.629 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.853 -8.375 23.013 1.00 0.00 H new ATOM 0 HD22 ASN A 49 7.311 -8.561 21.342 1.00 0.00 H new ATOM 795 N LYS A 50 5.161 -5.949 18.869 1.00 0.00 N ATOM 796 CA LYS A 50 4.950 -5.791 17.463 1.00 0.00 C ATOM 797 C LYS A 50 4.920 -7.167 16.868 1.00 0.00 C ATOM 798 O LYS A 50 4.372 -7.397 15.790 1.00 0.00 O ATOM 799 CB LYS A 50 6.162 -5.038 16.878 1.00 0.00 C ATOM 800 CG LYS A 50 6.015 -4.448 15.473 1.00 0.00 C ATOM 801 CD LYS A 50 7.304 -3.710 15.084 1.00 0.00 C ATOM 802 CE LYS A 50 7.229 -2.978 13.747 1.00 0.00 C ATOM 803 NZ LYS A 50 8.544 -2.392 13.408 1.00 0.00 N ATOM 0 H LYS A 50 6.142 -5.872 19.138 1.00 0.00 H new ATOM 0 HA LYS A 50 4.029 -5.247 17.255 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.415 -4.226 17.559 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.011 -5.722 16.869 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.808 -5.241 14.755 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.169 -3.762 15.443 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.547 -2.990 15.866 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.123 -4.428 15.046 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.918 -3.669 12.963 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.475 -2.192 13.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.479 -1.897 12.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.825 -1.718 14.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.254 -3.149 13.341 1.00 0.00 H new ATOM 817 N ARG A 51 5.516 -8.123 17.613 1.00 0.00 N ATOM 818 CA ARG A 51 5.524 -9.520 17.305 1.00 0.00 C ATOM 819 C ARG A 51 4.175 -10.099 17.586 1.00 0.00 C ATOM 820 O ARG A 51 3.762 -11.053 16.930 1.00 0.00 O ATOM 821 CB ARG A 51 6.543 -10.293 18.160 1.00 0.00 C ATOM 822 CG ARG A 51 7.958 -9.704 18.075 1.00 0.00 C ATOM 823 CD ARG A 51 8.979 -10.473 18.917 1.00 0.00 C ATOM 824 NE ARG A 51 10.324 -9.858 18.698 1.00 0.00 N ATOM 825 CZ ARG A 51 10.785 -8.811 19.447 1.00 0.00 C ATOM 826 NH1 ARG A 51 10.035 -8.283 20.456 1.00 0.00 N ATOM 827 NH2 ARG A 51 12.017 -8.285 19.176 1.00 0.00 N ATOM 0 H ARG A 51 6.017 -7.906 18.474 1.00 0.00 H new ATOM 0 HA ARG A 51 5.794 -9.615 16.253 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.215 -10.290 19.199 1.00 0.00 H new ATOM 0 HB3 ARG A 51 6.567 -11.334 17.836 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.282 -9.701 17.034 1.00 0.00 H new ATOM 0 HG3 ARG A 51 7.933 -8.665 18.404 1.00 0.00 H new ATOM 0 HD2 ARG A 51 8.710 -10.432 19.972 1.00 0.00 H new ATOM 0 HD3 ARG A 51 8.991 -11.525 18.632 1.00 0.00 H new ATOM 0 HE ARG A 51 10.921 -10.234 17.961 1.00 0.00 H new ATOM 0 HH11 ARG A 51 9.114 -8.669 20.663 1.00 0.00 H new ATOM 0 HH12 ARG A 51 10.395 -7.502 21.004 1.00 0.00 H new ATOM 0 HH21 ARG A 51 12.583 -8.674 18.421 1.00 0.00 H new ATOM 0 HH22 ARG A 51 12.371 -7.504 19.728 1.00 0.00 H new ATOM 841 N SER A 52 3.469 -9.519 18.578 1.00 0.00 N ATOM 842 CA SER A 52 2.136 -9.887 18.925 1.00 0.00 C ATOM 843 C SER A 52 1.159 -9.321 17.953 1.00 0.00 C ATOM 844 O SER A 52 0.150 -9.978 17.719 1.00 0.00 O ATOM 845 CB SER A 52 1.735 -9.471 20.340 1.00 0.00 C ATOM 846 OG SER A 52 2.399 -10.288 21.291 1.00 0.00 O ATOM 0 H SER A 52 3.844 -8.767 19.156 1.00 0.00 H new ATOM 0 HA SER A 52 2.116 -10.976 18.889 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.990 -8.424 20.506 1.00 0.00 H new ATOM 0 HB3 SER A 52 0.656 -9.560 20.462 1.00 0.00 H new ATOM 0 HG SER A 52 2.139 -10.015 22.195 1.00 0.00 H new ATOM 852 N ILE A 53 1.420 -8.114 17.381 1.00 0.00 N ATOM 853 CA ILE A 53 0.625 -7.542 16.303 1.00 0.00 C ATOM 854 C ILE A 53 0.565 -8.495 15.144 1.00 0.00 C ATOM 855 O ILE A 53 -0.524 -8.885 14.714 1.00 0.00 O ATOM 856 CB ILE A 53 1.151 -6.191 15.815 1.00 0.00 C ATOM 857 CG1 ILE A 53 0.979 -5.107 16.899 1.00 0.00 C ATOM 858 CG2 ILE A 53 0.497 -5.739 14.489 1.00 0.00 C ATOM 859 CD1 ILE A 53 -0.479 -4.728 17.149 1.00 0.00 C ATOM 0 H ILE A 53 2.198 -7.521 17.670 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.370 -7.373 16.714 1.00 0.00 H new ATOM 0 HB ILE A 53 2.214 -6.326 15.616 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.420 -5.462 17.831 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.533 -4.216 16.603 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.908 -4.775 14.191 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.701 -6.476 13.713 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.580 -5.647 14.627 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.528 -3.961 17.922 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.918 -4.343 16.228 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.033 -5.608 17.475 1.00 0.00 H new ATOM 871 N LYS A 54 1.754 -8.889 14.642 1.00 0.00 N ATOM 872 CA LYS A 54 1.905 -9.829 13.551 1.00 0.00 C ATOM 873 C LYS A 54 1.235 -11.151 13.824 1.00 0.00 C ATOM 874 O LYS A 54 0.576 -11.713 12.945 1.00 0.00 O ATOM 875 CB LYS A 54 3.375 -10.146 13.225 1.00 0.00 C ATOM 876 CG LYS A 54 4.153 -8.932 12.709 1.00 0.00 C ATOM 877 CD LYS A 54 5.639 -9.234 12.467 1.00 0.00 C ATOM 878 CE LYS A 54 6.428 -8.005 12.005 1.00 0.00 C ATOM 879 NZ LYS A 54 7.833 -8.362 11.712 1.00 0.00 N ATOM 0 H LYS A 54 2.644 -8.546 15.003 1.00 0.00 H new ATOM 0 HA LYS A 54 1.432 -9.323 12.709 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.865 -10.530 14.120 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.412 -10.938 12.477 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.702 -8.586 11.779 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.065 -8.118 13.428 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.081 -9.619 13.386 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.728 -10.020 11.717 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.962 -7.582 11.115 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.397 -7.236 12.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.349 -7.514 11.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.280 -8.744 12.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.859 -9.079 10.959 1.00 0.00 H new ATOM 893 N ALA A 55 1.362 -11.658 15.075 1.00 0.00 N ATOM 894 CA ALA A 55 0.839 -12.932 15.491 1.00 0.00 C ATOM 895 C ALA A 55 -0.638 -12.944 15.788 1.00 0.00 C ATOM 896 O ALA A 55 -1.123 -13.897 16.396 1.00 0.00 O ATOM 897 CB ALA A 55 1.528 -13.448 16.761 1.00 0.00 C ATOM 0 H ALA A 55 1.847 -11.161 15.822 1.00 0.00 H new ATOM 0 HA ALA A 55 1.036 -13.567 14.627 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.103 -14.412 17.040 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.596 -13.563 16.575 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.376 -12.736 17.572 1.00 0.00 H new ATOM 903 N ILE A 56 -1.401 -11.911 15.357 1.00 0.00 N ATOM 904 CA ILE A 56 -2.836 -11.959 15.384 1.00 0.00 C ATOM 905 C ILE A 56 -3.270 -12.722 14.178 1.00 0.00 C ATOM 906 O ILE A 56 -4.276 -13.433 14.217 1.00 0.00 O ATOM 907 CB ILE A 56 -3.466 -10.584 15.365 1.00 0.00 C ATOM 908 CG1 ILE A 56 -3.036 -9.842 16.636 1.00 0.00 C ATOM 909 CG2 ILE A 56 -5.000 -10.671 15.261 1.00 0.00 C ATOM 910 CD1 ILE A 56 -3.388 -8.363 16.593 1.00 0.00 C ATOM 0 H ILE A 56 -1.019 -11.040 14.989 1.00 0.00 H new ATOM 0 HA ILE A 56 -3.158 -12.434 16.311 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.126 -10.037 14.486 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.515 -10.301 17.501 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.960 -9.953 16.771 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -5.422 -9.666 15.250 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -5.274 -11.190 14.342 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.392 -11.219 16.118 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.062 -7.884 17.516 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.888 -7.894 15.745 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.467 -8.249 16.486 1.00 0.00 H new ATOM 922 N CYS A 57 -2.511 -12.567 13.076 1.00 0.00 N ATOM 923 CA CYS A 57 -2.901 -13.114 11.807 1.00 0.00 C ATOM 924 C CYS A 57 -2.756 -14.603 11.776 1.00 0.00 C ATOM 925 O CYS A 57 -3.656 -15.300 11.308 1.00 0.00 O ATOM 926 CB CYS A 57 -2.088 -12.540 10.654 1.00 0.00 C ATOM 927 SG CYS A 57 -2.155 -10.733 10.673 1.00 0.00 S ATOM 0 H CYS A 57 -1.625 -12.062 13.062 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.948 -12.839 11.684 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -1.053 -12.873 10.730 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -2.475 -12.915 9.706 1.00 0.00 H new ATOM 932 N GLU A 58 -1.619 -15.117 12.291 1.00 0.00 N ATOM 933 CA GLU A 58 -1.450 -16.526 12.500 1.00 0.00 C ATOM 934 C GLU A 58 -2.086 -16.835 13.817 1.00 0.00 C ATOM 935 O GLU A 58 -2.233 -15.954 14.662 1.00 0.00 O ATOM 936 CB GLU A 58 0.025 -16.981 12.512 1.00 0.00 C ATOM 937 CG GLU A 58 0.932 -16.160 13.436 1.00 0.00 C ATOM 938 CD GLU A 58 2.357 -16.675 13.289 1.00 0.00 C ATOM 939 OE1 GLU A 58 2.588 -17.877 13.582 1.00 0.00 O ATOM 940 OE2 GLU A 58 3.234 -15.867 12.884 1.00 0.00 O ATOM 0 H GLU A 58 -0.814 -14.553 12.563 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.910 -17.063 11.670 1.00 0.00 H new ATOM 0 HB2 GLU A 58 0.068 -18.027 12.816 1.00 0.00 H new ATOM 0 HB3 GLU A 58 0.417 -16.928 11.496 1.00 0.00 H new ATOM 0 HG2 GLU A 58 0.882 -15.103 13.176 1.00 0.00 H new ATOM 0 HG3 GLU A 58 0.601 -16.250 14.471 1.00 0.00 H new ATOM 947 N ASN A 59 -2.491 -18.106 14.016 1.00 0.00 N ATOM 948 CA ASN A 59 -3.215 -18.484 15.196 1.00 0.00 C ATOM 949 C ASN A 59 -2.258 -18.854 16.285 1.00 0.00 C ATOM 950 O ASN A 59 -1.912 -20.022 16.456 1.00 0.00 O ATOM 951 CB ASN A 59 -4.166 -19.667 14.957 1.00 0.00 C ATOM 952 CG ASN A 59 -5.142 -19.264 13.852 1.00 0.00 C ATOM 953 OD1 ASN A 59 -5.843 -18.250 13.950 1.00 0.00 O ATOM 954 ND2 ASN A 59 -5.170 -20.096 12.766 1.00 0.00 N ATOM 0 H ASN A 59 -2.318 -18.870 13.362 1.00 0.00 H new ATOM 0 HA ASN A 59 -3.816 -17.621 15.482 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -3.605 -20.555 14.667 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -4.705 -19.915 15.871 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -5.792 -19.892 11.984 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -4.569 -20.920 12.739 1.00 0.00 H new ATOM 961 N LYS A 60 -1.821 -17.835 17.053 1.00 0.00 N ATOM 962 CA LYS A 60 -0.973 -18.010 18.194 1.00 0.00 C ATOM 963 C LYS A 60 -1.647 -17.228 19.260 1.00 0.00 C ATOM 964 O LYS A 60 -1.831 -17.695 20.383 1.00 0.00 O ATOM 965 CB LYS A 60 0.448 -17.430 18.022 1.00 0.00 C ATOM 966 CG LYS A 60 1.305 -18.123 16.950 1.00 0.00 C ATOM 967 CD LYS A 60 1.659 -19.579 17.281 1.00 0.00 C ATOM 968 CE LYS A 60 2.547 -20.222 16.213 1.00 0.00 C ATOM 969 NZ LYS A 60 2.851 -21.624 16.575 1.00 0.00 N ATOM 0 H LYS A 60 -2.065 -16.861 16.874 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.842 -19.074 18.391 1.00 0.00 H new ATOM 0 HB2 LYS A 60 0.365 -16.372 17.772 1.00 0.00 H new ATOM 0 HB3 LYS A 60 0.968 -17.492 18.978 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.772 -18.096 16.000 1.00 0.00 H new ATOM 0 HG3 LYS A 60 2.227 -17.557 16.814 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.169 -19.616 18.244 1.00 0.00 H new ATOM 0 HD3 LYS A 60 0.742 -20.159 17.384 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.046 -20.189 15.246 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.473 -19.656 16.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.454 -22.049 15.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.348 -21.647 17.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 1.965 -22.163 16.649 1.00 0.00 H new ATOM 983 N ASN A 61 -2.025 -15.993 18.893 1.00 0.00 N ATOM 984 CA ASN A 61 -2.742 -15.104 19.755 1.00 0.00 C ATOM 985 C ASN A 61 -3.685 -14.358 18.870 1.00 0.00 C ATOM 986 O ASN A 61 -3.685 -13.131 18.798 1.00 0.00 O ATOM 987 CB ASN A 61 -1.859 -14.154 20.600 1.00 0.00 C ATOM 988 CG ASN A 61 -0.685 -13.559 19.818 1.00 0.00 C ATOM 989 OD1 ASN A 61 0.350 -14.207 19.628 1.00 0.00 O ATOM 990 ND2 ASN A 61 -0.853 -12.264 19.414 1.00 0.00 N ATOM 0 H ASN A 61 -1.828 -15.600 17.973 1.00 0.00 H new ATOM 0 HA ASN A 61 -3.260 -15.683 20.519 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -2.477 -13.343 20.986 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -1.473 -14.699 21.462 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -0.099 -11.780 18.926 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -1.732 -11.782 19.600 1.00 0.00 H new ATOM 997 N GLY A 62 -4.552 -15.117 18.179 1.00 0.00 N ATOM 998 CA GLY A 62 -5.576 -14.498 17.401 1.00 0.00 C ATOM 999 C GLY A 62 -6.396 -15.593 16.817 1.00 0.00 C ATOM 1000 O GLY A 62 -5.908 -16.699 16.599 1.00 0.00 O ATOM 0 H GLY A 62 -4.546 -16.137 18.158 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.190 -13.844 18.021 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.143 -13.879 16.615 1.00 0.00 H new ATOM 1004 N ASN A 63 -7.685 -15.285 16.575 1.00 0.00 N ATOM 1005 CA ASN A 63 -8.649 -16.217 16.073 1.00 0.00 C ATOM 1006 C ASN A 63 -9.053 -15.699 14.724 1.00 0.00 C ATOM 1007 O ASN A 63 -8.889 -14.501 14.494 1.00 0.00 O ATOM 1008 CB ASN A 63 -9.907 -16.260 16.960 1.00 0.00 C ATOM 1009 CG ASN A 63 -9.495 -16.735 18.352 1.00 0.00 C ATOM 1010 OD1 ASN A 63 -9.101 -17.893 18.538 1.00 0.00 O ATOM 1011 ND2 ASN A 63 -9.589 -15.801 19.347 1.00 0.00 N ATOM 0 H ASN A 63 -8.069 -14.354 16.735 1.00 0.00 H new ATOM 0 HA ASN A 63 -8.222 -17.219 16.044 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -10.366 -15.273 17.016 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -10.650 -16.934 16.533 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -9.327 -16.045 20.302 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -9.921 -14.860 19.134 1.00 0.00 H new ATOM 1018 N PRO A 64 -9.580 -16.511 13.818 1.00 0.00 N ATOM 1019 CA PRO A 64 -10.193 -16.037 12.607 1.00 0.00 C ATOM 1020 C PRO A 64 -11.522 -15.457 13.000 1.00 0.00 C ATOM 1021 O PRO A 64 -12.185 -15.985 13.894 1.00 0.00 O ATOM 1022 CB PRO A 64 -10.360 -17.285 11.737 1.00 0.00 C ATOM 1023 CG PRO A 64 -10.385 -18.456 12.725 1.00 0.00 C ATOM 1024 CD PRO A 64 -9.507 -17.962 13.876 1.00 0.00 C ATOM 0 HA PRO A 64 -9.625 -15.277 12.071 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -11.280 -17.240 11.155 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -9.538 -17.385 11.028 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -11.398 -18.679 13.059 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -9.988 -19.368 12.279 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -9.867 -18.336 14.834 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.480 -18.309 13.764 1.00 0.00 H new ATOM 1032 N HIS A 65 -11.918 -14.359 12.328 1.00 0.00 N ATOM 1033 CA HIS A 65 -13.111 -13.647 12.670 1.00 0.00 C ATOM 1034 C HIS A 65 -13.732 -13.205 11.389 1.00 0.00 C ATOM 1035 O HIS A 65 -13.075 -12.553 10.583 1.00 0.00 O ATOM 1036 CB HIS A 65 -12.797 -12.390 13.505 1.00 0.00 C ATOM 1037 CG HIS A 65 -13.968 -11.476 13.701 1.00 0.00 C ATOM 1038 ND1 HIS A 65 -15.078 -11.832 14.419 1.00 0.00 N ATOM 1039 CD2 HIS A 65 -14.169 -10.215 13.254 1.00 0.00 C ATOM 1040 CE1 HIS A 65 -15.927 -10.815 14.403 1.00 0.00 C ATOM 1041 NE2 HIS A 65 -15.399 -9.820 13.702 1.00 0.00 N ATOM 0 H HIS A 65 -11.406 -13.962 11.540 1.00 0.00 H new ATOM 0 HA HIS A 65 -13.764 -14.294 13.256 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -12.424 -12.700 14.481 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -11.995 -11.835 13.019 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -13.486 -9.630 12.656 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -16.894 -10.799 14.884 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -15.836 -8.915 13.527 1.00 0.00 H new ATOM 1050 N ARG A 66 -15.033 -13.534 11.212 1.00 0.00 N ATOM 1051 CA ARG A 66 -15.869 -13.057 10.137 1.00 0.00 C ATOM 1052 C ARG A 66 -15.366 -13.574 8.811 1.00 0.00 C ATOM 1053 O ARG A 66 -15.525 -14.755 8.508 1.00 0.00 O ATOM 1054 CB ARG A 66 -16.091 -11.519 10.194 1.00 0.00 C ATOM 1055 CG ARG A 66 -17.424 -10.997 9.619 1.00 0.00 C ATOM 1056 CD ARG A 66 -17.469 -10.815 8.100 1.00 0.00 C ATOM 1057 NE ARG A 66 -18.764 -10.168 7.749 1.00 0.00 N ATOM 1058 CZ ARG A 66 -19.013 -9.767 6.469 1.00 0.00 C ATOM 1059 NH1 ARG A 66 -18.073 -9.942 5.495 1.00 0.00 N ATOM 1060 NH2 ARG A 66 -20.212 -9.188 6.160 1.00 0.00 N ATOM 0 H ARG A 66 -15.526 -14.162 11.847 1.00 0.00 H new ATOM 0 HA ARG A 66 -16.871 -13.468 10.263 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -16.020 -11.202 11.234 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -15.275 -11.036 9.657 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -18.217 -11.687 9.907 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -17.650 -10.039 10.088 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -16.633 -10.200 7.766 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -17.377 -11.778 7.598 1.00 0.00 H new ATOM 0 HE ARG A 66 -19.470 -10.024 8.471 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -17.178 -10.375 5.722 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -18.266 -9.640 4.540 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -20.917 -9.057 6.885 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -20.402 -8.887 5.204 1.00 0.00 H new ATOM 1074 N GLU A 67 -14.759 -12.690 7.990 1.00 0.00 N ATOM 1075 CA GLU A 67 -14.246 -13.021 6.697 1.00 0.00 C ATOM 1076 C GLU A 67 -13.041 -12.160 6.549 1.00 0.00 C ATOM 1077 O GLU A 67 -13.148 -10.973 6.246 1.00 0.00 O ATOM 1078 CB GLU A 67 -15.180 -12.694 5.513 1.00 0.00 C ATOM 1079 CG GLU A 67 -16.341 -13.682 5.340 1.00 0.00 C ATOM 1080 CD GLU A 67 -17.172 -13.252 4.141 1.00 0.00 C ATOM 1081 OE1 GLU A 67 -16.603 -13.173 3.020 1.00 0.00 O ATOM 1082 OE2 GLU A 67 -18.392 -13.001 4.330 1.00 0.00 O ATOM 0 H GLU A 67 -14.622 -11.710 8.239 1.00 0.00 H new ATOM 0 HA GLU A 67 -14.083 -14.098 6.657 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -15.587 -11.692 5.651 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -14.593 -12.676 4.595 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -15.959 -14.692 5.192 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -16.957 -13.703 6.239 1.00 0.00 H new ATOM 1089 N ASN A 68 -11.864 -12.790 6.771 1.00 0.00 N ATOM 1090 CA ASN A 68 -10.513 -12.284 6.619 1.00 0.00 C ATOM 1091 C ASN A 68 -10.165 -11.147 7.541 1.00 0.00 C ATOM 1092 O ASN A 68 -9.261 -10.360 7.260 1.00 0.00 O ATOM 1093 CB ASN A 68 -9.997 -12.059 5.162 1.00 0.00 C ATOM 1094 CG ASN A 68 -10.765 -11.014 4.335 1.00 0.00 C ATOM 1095 OD1 ASN A 68 -11.659 -11.371 3.556 1.00 0.00 O ATOM 1096 ND2 ASN A 68 -10.381 -9.711 4.484 1.00 0.00 N ATOM 0 H ASN A 68 -11.855 -13.758 7.092 1.00 0.00 H new ATOM 0 HA ASN A 68 -9.935 -13.145 6.955 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -8.950 -11.759 5.209 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -10.032 -13.011 4.633 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -10.837 -8.979 3.939 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -9.638 -9.470 5.140 1.00 0.00 H new ATOM 1103 N LEU A 69 -10.852 -11.076 8.699 1.00 0.00 N ATOM 1104 CA LEU A 69 -10.474 -10.204 9.768 1.00 0.00 C ATOM 1105 C LEU A 69 -9.926 -11.157 10.762 1.00 0.00 C ATOM 1106 O LEU A 69 -10.248 -12.342 10.713 1.00 0.00 O ATOM 1107 CB LEU A 69 -11.654 -9.462 10.420 1.00 0.00 C ATOM 1108 CG LEU A 69 -12.451 -8.554 9.461 1.00 0.00 C ATOM 1109 CD1 LEU A 69 -13.712 -8.014 10.157 1.00 0.00 C ATOM 1110 CD2 LEU A 69 -11.595 -7.405 8.898 1.00 0.00 C ATOM 0 H LEU A 69 -11.683 -11.634 8.894 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.802 -9.421 9.415 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.333 -10.196 10.852 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -11.275 -8.855 11.242 1.00 0.00 H new ATOM 0 HG LEU A 69 -12.755 -9.165 8.611 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -14.263 -7.375 9.467 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -14.344 -8.848 10.463 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -13.424 -7.436 11.035 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -12.201 -6.794 8.229 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -11.228 -6.789 9.719 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.749 -7.817 8.347 1.00 0.00 H new ATOM 1122 N ARG A 70 -9.069 -10.685 11.681 1.00 0.00 N ATOM 1123 CA ARG A 70 -8.574 -11.552 12.706 1.00 0.00 C ATOM 1124 C ARG A 70 -8.604 -10.735 13.943 1.00 0.00 C ATOM 1125 O ARG A 70 -7.970 -9.684 14.028 1.00 0.00 O ATOM 1126 CB ARG A 70 -7.129 -12.068 12.534 1.00 0.00 C ATOM 1127 CG ARG A 70 -6.935 -13.287 11.614 1.00 0.00 C ATOM 1128 CD ARG A 70 -6.907 -12.976 10.116 1.00 0.00 C ATOM 1129 NE ARG A 70 -6.280 -14.132 9.418 1.00 0.00 N ATOM 1130 CZ ARG A 70 -6.212 -14.164 8.054 1.00 0.00 C ATOM 1131 NH1 ARG A 70 -6.764 -13.162 7.312 1.00 0.00 N ATOM 1132 NH2 ARG A 70 -5.584 -15.203 7.431 1.00 0.00 N ATOM 0 H ARG A 70 -8.724 -9.726 11.718 1.00 0.00 H new ATOM 0 HA ARG A 70 -9.195 -12.448 12.699 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.519 -11.251 12.149 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -6.738 -12.320 13.520 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -6.001 -13.780 11.884 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -7.738 -13.998 11.806 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -7.917 -12.808 9.743 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.341 -12.064 9.927 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.898 -14.906 9.962 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -7.231 -12.382 7.775 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -6.710 -13.192 6.294 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -5.167 -15.952 7.984 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -5.531 -15.230 6.413 1.00 0.00 H new ATOM 1146 N ILE A 71 -9.362 -11.236 14.936 1.00 0.00 N ATOM 1147 CA ILE A 71 -9.477 -10.613 16.218 1.00 0.00 C ATOM 1148 C ILE A 71 -8.363 -11.178 17.039 1.00 0.00 C ATOM 1149 O ILE A 71 -7.990 -12.334 16.860 1.00 0.00 O ATOM 1150 CB ILE A 71 -10.850 -10.852 16.831 1.00 0.00 C ATOM 1151 CG1 ILE A 71 -11.101 -9.951 18.057 1.00 0.00 C ATOM 1152 CG2 ILE A 71 -11.097 -12.348 17.130 1.00 0.00 C ATOM 1153 CD1 ILE A 71 -12.590 -9.834 18.397 1.00 0.00 C ATOM 0 H ILE A 71 -9.907 -12.093 14.845 1.00 0.00 H new ATOM 0 HA ILE A 71 -9.392 -9.528 16.156 1.00 0.00 H new ATOM 0 HB ILE A 71 -11.589 -10.563 16.084 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -10.565 -10.353 18.917 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -10.695 -8.958 17.864 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -12.088 -12.473 17.566 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -11.033 -12.919 16.204 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -10.344 -12.708 17.831 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -12.715 -9.190 19.267 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -13.124 -9.406 17.549 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -12.992 -10.823 18.617 1.00 0.00 H new ATOM 1165 N SER A 72 -7.782 -10.360 17.942 1.00 0.00 N ATOM 1166 CA SER A 72 -6.641 -10.782 18.701 1.00 0.00 C ATOM 1167 C SER A 72 -7.085 -11.469 19.944 1.00 0.00 C ATOM 1168 O SER A 72 -8.243 -11.380 20.353 1.00 0.00 O ATOM 1169 CB SER A 72 -5.715 -9.631 19.126 1.00 0.00 C ATOM 1170 OG SER A 72 -6.300 -8.853 20.154 1.00 0.00 O ATOM 0 H SER A 72 -8.101 -9.413 18.145 1.00 0.00 H new ATOM 0 HA SER A 72 -6.082 -11.443 18.039 1.00 0.00 H new ATOM 0 HB2 SER A 72 -4.763 -10.035 19.470 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.500 -8.998 18.265 1.00 0.00 H new ATOM 0 HG SER A 72 -5.628 -8.660 20.841 1.00 0.00 H new ATOM 1176 N LYS A 73 -6.123 -12.170 20.573 1.00 0.00 N ATOM 1177 CA LYS A 73 -6.342 -12.845 21.811 1.00 0.00 C ATOM 1178 C LYS A 73 -5.199 -12.423 22.680 1.00 0.00 C ATOM 1179 O LYS A 73 -4.978 -12.981 23.755 1.00 0.00 O ATOM 1180 CB LYS A 73 -6.377 -14.380 21.631 1.00 0.00 C ATOM 1181 CG LYS A 73 -7.057 -15.176 22.757 1.00 0.00 C ATOM 1182 CD LYS A 73 -8.546 -14.845 22.943 1.00 0.00 C ATOM 1183 CE LYS A 73 -9.247 -15.771 23.941 1.00 0.00 C ATOM 1184 NZ LYS A 73 -8.650 -15.630 25.287 1.00 0.00 N ATOM 0 H LYS A 73 -5.174 -12.268 20.212 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.308 -12.588 22.246 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -6.888 -14.604 20.695 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -5.352 -14.737 21.528 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -6.955 -16.241 22.548 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -6.532 -14.983 23.693 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -8.643 -13.814 23.283 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -9.050 -14.911 21.979 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -10.310 -15.533 23.982 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -9.164 -16.805 23.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -9.191 -16.200 25.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -7.664 -15.959 25.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -8.675 -14.631 25.575 1.00 0.00 H new ATOM 1198 N SER A 74 -4.448 -11.394 22.226 1.00 0.00 N ATOM 1199 CA SER A 74 -3.457 -10.761 23.034 1.00 0.00 C ATOM 1200 C SER A 74 -3.895 -9.348 23.023 1.00 0.00 C ATOM 1201 O SER A 74 -3.610 -8.618 22.082 1.00 0.00 O ATOM 1202 CB SER A 74 -2.027 -10.830 22.471 1.00 0.00 C ATOM 1203 OG SER A 74 -1.151 -10.029 23.249 1.00 0.00 O ATOM 0 H SER A 74 -4.534 -11.002 21.288 1.00 0.00 H new ATOM 0 HA SER A 74 -3.394 -11.245 24.009 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.680 -11.863 22.468 1.00 0.00 H new ATOM 0 HB3 SER A 74 -2.020 -10.489 21.436 1.00 0.00 H new ATOM 0 HG SER A 74 -0.244 -10.083 22.881 1.00 0.00 H new ATOM 1209 N SER A 75 -4.636 -8.962 24.073 1.00 0.00 N ATOM 1210 CA SER A 75 -5.087 -7.612 24.298 1.00 0.00 C ATOM 1211 C SER A 75 -3.921 -6.688 24.474 1.00 0.00 C ATOM 1212 O SER A 75 -2.994 -6.974 25.232 1.00 0.00 O ATOM 1213 CB SER A 75 -5.961 -7.470 25.553 1.00 0.00 C ATOM 1214 OG SER A 75 -7.119 -8.283 25.436 1.00 0.00 O ATOM 0 H SER A 75 -4.938 -9.611 24.800 1.00 0.00 H new ATOM 0 HA SER A 75 -5.677 -7.355 23.418 1.00 0.00 H new ATOM 0 HB2 SER A 75 -5.392 -7.759 26.436 1.00 0.00 H new ATOM 0 HB3 SER A 75 -6.251 -6.428 25.688 1.00 0.00 H new ATOM 0 HG SER A 75 -7.669 -8.187 26.242 1.00 0.00 H new ATOM 1220 N PHE A 76 -3.961 -5.554 23.746 1.00 0.00 N ATOM 1221 CA PHE A 76 -2.876 -4.616 23.692 1.00 0.00 C ATOM 1222 C PHE A 76 -3.343 -3.389 24.360 1.00 0.00 C ATOM 1223 O PHE A 76 -4.539 -3.118 24.414 1.00 0.00 O ATOM 1224 CB PHE A 76 -2.516 -4.128 22.273 1.00 0.00 C ATOM 1225 CG PHE A 76 -2.103 -5.234 21.369 1.00 0.00 C ATOM 1226 CD1 PHE A 76 -3.089 -5.956 20.739 1.00 0.00 C ATOM 1227 CD2 PHE A 76 -0.772 -5.503 21.082 1.00 0.00 C ATOM 1228 CE1 PHE A 76 -2.759 -6.992 19.903 1.00 0.00 C ATOM 1229 CE2 PHE A 76 -0.436 -6.527 20.213 1.00 0.00 C ATOM 1230 CZ PHE A 76 -1.439 -7.292 19.655 1.00 0.00 C ATOM 0 H PHE A 76 -4.766 -5.282 23.181 1.00 0.00 H new ATOM 0 HA PHE A 76 -2.017 -5.123 24.130 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.375 -3.615 21.842 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -1.709 -3.398 22.339 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -4.127 -5.706 20.903 1.00 0.00 H new ATOM 0 HD2 PHE A 76 0.006 -4.910 21.539 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -3.539 -7.575 19.437 1.00 0.00 H new ATOM 0 HE2 PHE A 76 0.599 -6.724 19.975 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.188 -8.129 19.021 1.00 0.00 H new ATOM 1240 N GLN A 77 -2.368 -2.607 24.858 1.00 0.00 N ATOM 1241 CA GLN A 77 -2.619 -1.346 25.468 1.00 0.00 C ATOM 1242 C GLN A 77 -2.858 -0.409 24.360 1.00 0.00 C ATOM 1243 O GLN A 77 -2.200 -0.477 23.330 1.00 0.00 O ATOM 1244 CB GLN A 77 -1.421 -0.926 26.347 1.00 0.00 C ATOM 1245 CG GLN A 77 -1.732 0.035 27.504 1.00 0.00 C ATOM 1246 CD GLN A 77 -1.571 -0.672 28.854 1.00 0.00 C ATOM 1247 OE1 GLN A 77 -0.563 -1.342 29.113 1.00 0.00 O ATOM 1248 NE2 GLN A 77 -2.592 -0.483 29.743 1.00 0.00 N ATOM 0 H GLN A 77 -1.381 -2.862 24.834 1.00 0.00 H new ATOM 0 HA GLN A 77 -3.480 -1.371 26.136 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -0.968 -1.827 26.762 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -0.673 -0.460 25.706 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -1.065 0.896 27.457 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -2.749 0.414 27.405 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -3.401 0.079 29.478 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -2.545 -0.904 30.671 1.00 0.00 H new ATOM 1257 N VAL A 78 -3.855 0.465 24.536 1.00 0.00 N ATOM 1258 CA VAL A 78 -4.346 1.243 23.448 1.00 0.00 C ATOM 1259 C VAL A 78 -4.584 2.592 24.020 1.00 0.00 C ATOM 1260 O VAL A 78 -5.043 2.724 25.150 1.00 0.00 O ATOM 1261 CB VAL A 78 -5.590 0.587 22.872 1.00 0.00 C ATOM 1262 CG1 VAL A 78 -6.771 1.545 22.606 1.00 0.00 C ATOM 1263 CG2 VAL A 78 -5.102 -0.122 21.599 1.00 0.00 C ATOM 0 H VAL A 78 -4.321 0.634 25.427 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.655 1.318 22.609 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.023 -0.102 23.597 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -7.610 0.983 22.196 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.073 2.018 23.540 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.465 2.311 21.894 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.941 -0.624 21.118 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.677 0.612 20.914 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.341 -0.857 21.861 1.00 0.00 H new ATOM 1273 N THR A 79 -4.258 3.631 23.231 1.00 0.00 N ATOM 1274 CA THR A 79 -4.673 4.963 23.532 1.00 0.00 C ATOM 1275 C THR A 79 -5.278 5.414 22.253 1.00 0.00 C ATOM 1276 O THR A 79 -4.575 5.696 21.281 1.00 0.00 O ATOM 1277 CB THR A 79 -3.568 5.896 23.966 1.00 0.00 C ATOM 1278 OG1 THR A 79 -2.987 5.424 25.171 1.00 0.00 O ATOM 1279 CG2 THR A 79 -4.137 7.299 24.229 1.00 0.00 C ATOM 0 H THR A 79 -3.703 3.546 22.379 1.00 0.00 H new ATOM 0 HA THR A 79 -5.345 4.976 24.390 1.00 0.00 H new ATOM 0 HB THR A 79 -2.820 5.937 23.174 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.323 4.733 24.965 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.333 7.965 24.542 1.00 0.00 H new ATOM 0 HG22 THR A 79 -4.593 7.684 23.317 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.890 7.245 25.016 1.00 0.00 H new ATOM 1287 N THR A 80 -6.623 5.474 22.251 1.00 0.00 N ATOM 1288 CA THR A 80 -7.373 5.947 21.132 1.00 0.00 C ATOM 1289 C THR A 80 -7.440 7.429 21.270 1.00 0.00 C ATOM 1290 O THR A 80 -8.244 7.957 22.036 1.00 0.00 O ATOM 1291 CB THR A 80 -8.761 5.364 21.073 1.00 0.00 C ATOM 1292 OG1 THR A 80 -8.674 3.948 21.089 1.00 0.00 O ATOM 1293 CG2 THR A 80 -9.458 5.804 19.778 1.00 0.00 C ATOM 0 H THR A 80 -7.199 5.188 23.043 1.00 0.00 H new ATOM 0 HA THR A 80 -6.885 5.641 20.206 1.00 0.00 H new ATOM 0 HB THR A 80 -9.333 5.715 21.932 1.00 0.00 H new ATOM 0 HG1 THR A 80 -9.575 3.564 21.052 1.00 0.00 H new ATOM 0 HG21 THR A 80 -10.461 5.379 19.742 1.00 0.00 H new ATOM 0 HG22 THR A 80 -9.524 6.892 19.752 1.00 0.00 H new ATOM 0 HG23 THR A 80 -8.885 5.454 18.919 1.00 0.00 H new ATOM 1301 N CYS A 81 -6.572 8.131 20.517 1.00 0.00 N ATOM 1302 CA CYS A 81 -6.523 9.556 20.556 1.00 0.00 C ATOM 1303 C CYS A 81 -7.548 10.047 19.592 1.00 0.00 C ATOM 1304 O CYS A 81 -7.414 9.873 18.384 1.00 0.00 O ATOM 1305 CB CYS A 81 -5.173 10.120 20.103 1.00 0.00 C ATOM 1306 SG CYS A 81 -3.789 9.590 21.151 1.00 0.00 S ATOM 0 H CYS A 81 -5.901 7.705 19.878 1.00 0.00 H new ATOM 0 HA CYS A 81 -6.692 9.875 21.584 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -4.983 9.809 19.076 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -5.223 11.209 20.102 1.00 0.00 H new ATOM 1311 N LYS A 82 -8.602 10.671 20.136 1.00 0.00 N ATOM 1312 CA LYS A 82 -9.726 11.109 19.356 1.00 0.00 C ATOM 1313 C LYS A 82 -9.756 12.590 19.508 1.00 0.00 C ATOM 1314 O LYS A 82 -9.401 13.086 20.571 1.00 0.00 O ATOM 1315 CB LYS A 82 -11.059 10.543 19.879 1.00 0.00 C ATOM 1316 CG LYS A 82 -12.251 10.778 18.940 1.00 0.00 C ATOM 1317 CD LYS A 82 -13.572 10.301 19.550 1.00 0.00 C ATOM 1318 CE LYS A 82 -14.786 10.636 18.683 1.00 0.00 C ATOM 1319 NZ LYS A 82 -14.679 9.962 17.373 1.00 0.00 N ATOM 0 H LYS A 82 -8.682 10.878 21.132 1.00 0.00 H new ATOM 0 HA LYS A 82 -9.618 10.772 18.325 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -10.946 9.472 20.045 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -11.278 10.994 20.847 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -12.323 11.840 18.707 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -12.078 10.256 17.999 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -13.527 9.223 19.702 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -13.697 10.756 20.532 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -15.700 10.323 19.188 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -14.854 11.715 18.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -15.573 10.070 16.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -13.905 10.389 16.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -14.483 8.951 17.518 1.00 0.00 H new ATOM 1333 N LEU A 83 -10.172 13.322 18.449 1.00 0.00 N ATOM 1334 CA LEU A 83 -10.321 14.757 18.519 1.00 0.00 C ATOM 1335 C LEU A 83 -11.418 15.121 19.470 1.00 0.00 C ATOM 1336 O LEU A 83 -12.514 14.563 19.418 1.00 0.00 O ATOM 1337 CB LEU A 83 -10.849 15.405 17.218 1.00 0.00 C ATOM 1338 CG LEU A 83 -9.827 15.763 16.121 1.00 0.00 C ATOM 1339 CD1 LEU A 83 -10.583 16.151 14.837 1.00 0.00 C ATOM 1340 CD2 LEU A 83 -8.885 16.911 16.530 1.00 0.00 C ATOM 0 H LEU A 83 -10.406 12.921 17.541 1.00 0.00 H new ATOM 0 HA LEU A 83 -9.320 15.099 18.781 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -11.583 14.728 16.782 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -11.379 16.317 17.491 1.00 0.00 H new ATOM 0 HG LEU A 83 -9.204 14.884 15.956 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -9.867 16.406 14.056 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -11.196 15.312 14.508 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -11.223 17.011 15.037 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -8.189 17.117 15.717 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -9.471 17.805 16.741 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -8.327 16.624 17.421 1.00 0.00 H new ATOM 1352 N HIS A 84 -11.143 16.134 20.317 1.00 0.00 N ATOM 1353 CA HIS A 84 -12.199 16.900 20.910 1.00 0.00 C ATOM 1354 C HIS A 84 -11.800 18.321 20.721 1.00 0.00 C ATOM 1355 O HIS A 84 -11.882 19.152 21.625 1.00 0.00 O ATOM 1356 CB HIS A 84 -12.505 16.595 22.394 1.00 0.00 C ATOM 1357 CG HIS A 84 -11.400 16.904 23.366 1.00 0.00 C ATOM 1358 ND1 HIS A 84 -11.666 17.092 24.696 1.00 0.00 N ATOM 1359 CD2 HIS A 84 -10.057 16.986 23.214 1.00 0.00 C ATOM 1360 CE1 HIS A 84 -10.518 17.288 25.328 1.00 0.00 C ATOM 1361 NE2 HIS A 84 -9.526 17.227 24.452 1.00 0.00 N ATOM 0 H HIS A 84 -10.202 16.420 20.588 1.00 0.00 H new ATOM 0 HA HIS A 84 -13.138 16.640 20.422 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -13.390 17.160 22.687 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -12.758 15.539 22.484 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -9.508 16.881 22.290 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -10.409 17.468 26.387 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -8.535 17.340 24.664 1.00 0.00 H new ATOM 1370 N GLY A 85 -11.354 18.601 19.486 1.00 0.00 N ATOM 1371 CA GLY A 85 -10.917 19.901 19.076 1.00 0.00 C ATOM 1372 C GLY A 85 -12.106 20.598 18.524 1.00 0.00 C ATOM 1373 O GLY A 85 -12.767 21.372 19.214 1.00 0.00 O ATOM 0 H GLY A 85 -11.295 17.901 18.746 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -10.502 20.453 19.919 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -10.130 19.826 18.326 1.00 0.00 H new ATOM 1377 N GLY A 86 -12.383 20.317 17.238 1.00 0.00 N ATOM 1378 CA GLY A 86 -13.491 20.894 16.535 1.00 0.00 C ATOM 1379 C GLY A 86 -12.943 21.540 15.307 1.00 0.00 C ATOM 1380 O GLY A 86 -13.654 21.691 14.314 1.00 0.00 O ATOM 0 H GLY A 86 -11.826 19.676 16.673 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -14.222 20.129 16.274 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -14.004 21.626 17.159 1.00 0.00 H new ATOM 1384 N SER A 87 -11.654 21.935 15.364 1.00 0.00 N ATOM 1385 CA SER A 87 -10.980 22.528 14.249 1.00 0.00 C ATOM 1386 C SER A 87 -10.461 21.387 13.418 1.00 0.00 C ATOM 1387 O SER A 87 -9.838 20.495 13.994 1.00 0.00 O ATOM 1388 CB SER A 87 -9.774 23.382 14.679 1.00 0.00 C ATOM 1389 OG SER A 87 -9.192 24.017 13.551 1.00 0.00 O ATOM 0 H SER A 87 -11.073 21.841 16.197 1.00 0.00 H new ATOM 0 HA SER A 87 -11.673 23.179 13.716 1.00 0.00 H new ATOM 0 HB2 SER A 87 -10.091 24.132 15.404 1.00 0.00 H new ATOM 0 HB3 SER A 87 -9.033 22.754 15.174 1.00 0.00 H new ATOM 0 HG SER A 87 -8.377 23.539 13.291 1.00 0.00 H new ATOM 1395 N PRO A 88 -10.655 21.344 12.103 1.00 0.00 N ATOM 1396 CA PRO A 88 -10.123 20.288 11.287 1.00 0.00 C ATOM 1397 C PRO A 88 -8.703 20.624 10.937 1.00 0.00 C ATOM 1398 O PRO A 88 -8.010 19.730 10.465 1.00 0.00 O ATOM 1399 CB PRO A 88 -10.975 20.292 10.016 1.00 0.00 C ATOM 1400 CG PRO A 88 -11.580 21.696 9.944 1.00 0.00 C ATOM 1401 CD PRO A 88 -11.662 22.126 11.408 1.00 0.00 C ATOM 0 HA PRO A 88 -10.142 19.319 11.787 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -10.370 20.078 9.135 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -11.753 19.530 10.061 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -10.955 22.373 9.362 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -12.563 21.686 9.473 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -11.471 23.194 11.514 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -12.655 21.938 11.817 1.00 0.00 H new ATOM 1409 N TRP A 89 -8.258 21.882 11.130 1.00 0.00 N ATOM 1410 CA TRP A 89 -6.942 22.315 10.772 1.00 0.00 C ATOM 1411 C TRP A 89 -6.121 22.324 12.027 1.00 0.00 C ATOM 1412 O TRP A 89 -6.713 22.203 13.098 1.00 0.00 O ATOM 1413 CB TRP A 89 -7.017 23.726 10.164 1.00 0.00 C ATOM 1414 CG TRP A 89 -7.816 23.714 8.887 1.00 0.00 C ATOM 1415 CD1 TRP A 89 -9.062 24.215 8.649 1.00 0.00 C ATOM 1416 CD2 TRP A 89 -7.400 23.058 7.678 1.00 0.00 C ATOM 1417 NE1 TRP A 89 -9.439 23.932 7.359 1.00 0.00 N ATOM 1418 CE2 TRP A 89 -8.426 23.220 6.750 1.00 0.00 C ATOM 1419 CE3 TRP A 89 -6.264 22.363 7.368 1.00 0.00 C ATOM 1420 CZ2 TRP A 89 -8.327 22.700 5.491 1.00 0.00 C ATOM 1421 CZ3 TRP A 89 -6.164 21.834 6.098 1.00 0.00 C ATOM 1422 CH2 TRP A 89 -7.179 22.001 5.174 1.00 0.00 C ATOM 0 H TRP A 89 -8.830 22.617 11.546 1.00 0.00 H new ATOM 0 HA TRP A 89 -6.492 21.652 10.033 1.00 0.00 H new ATOM 0 HB2 TRP A 89 -7.474 24.411 10.878 1.00 0.00 H new ATOM 0 HB3 TRP A 89 -6.011 24.096 9.966 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -9.662 24.754 9.367 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -10.321 24.203 6.924 1.00 0.00 H new ATOM 0 HE3 TRP A 89 -5.473 22.233 8.092 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 -9.119 22.831 4.768 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 -5.279 21.281 5.821 1.00 0.00 H new ATOM 0 HH2 TRP A 89 -7.072 21.577 4.186 1.00 0.00 H new ATOM 1433 N PRO A 90 -4.797 22.456 11.970 1.00 0.00 N ATOM 1434 CA PRO A 90 -3.977 22.461 13.150 1.00 0.00 C ATOM 1435 C PRO A 90 -4.189 23.795 13.834 1.00 0.00 C ATOM 1436 O PRO A 90 -4.322 24.780 13.110 1.00 0.00 O ATOM 1437 CB PRO A 90 -2.532 22.322 12.653 1.00 0.00 C ATOM 1438 CG PRO A 90 -2.591 22.599 11.149 1.00 0.00 C ATOM 1439 CD PRO A 90 -4.015 22.196 10.776 1.00 0.00 C ATOM 0 HA PRO A 90 -4.212 21.662 13.854 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -1.873 23.029 13.157 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -2.142 21.324 12.854 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -2.398 23.648 10.925 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -1.851 22.015 10.603 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -4.381 22.776 9.929 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -4.067 21.146 10.490 1.00 0.00 H new ATOM 1447 N PRO A 91 -4.210 23.920 15.152 1.00 0.00 N ATOM 1448 CA PRO A 91 -3.840 22.905 16.098 1.00 0.00 C ATOM 1449 C PRO A 91 -5.043 22.059 16.362 1.00 0.00 C ATOM 1450 O PRO A 91 -6.170 22.435 16.038 1.00 0.00 O ATOM 1451 CB PRO A 91 -3.469 23.662 17.364 1.00 0.00 C ATOM 1452 CG PRO A 91 -4.274 24.955 17.266 1.00 0.00 C ATOM 1453 CD PRO A 91 -4.301 25.229 15.761 1.00 0.00 C ATOM 0 HA PRO A 91 -3.025 22.270 15.750 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -3.729 23.096 18.259 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -2.398 23.860 17.412 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -5.278 24.837 17.673 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -3.800 25.768 17.816 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -5.218 25.740 15.467 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -3.470 25.866 15.459 1.00 0.00 H new ATOM 1461 N CYS A 92 -4.770 20.889 16.951 1.00 0.00 N ATOM 1462 CA CYS A 92 -5.740 19.857 17.148 1.00 0.00 C ATOM 1463 C CYS A 92 -5.650 19.496 18.592 1.00 0.00 C ATOM 1464 O CYS A 92 -4.567 19.174 19.081 1.00 0.00 O ATOM 1465 CB CYS A 92 -5.400 18.577 16.361 1.00 0.00 C ATOM 1466 SG CYS A 92 -5.083 18.841 14.595 1.00 0.00 S ATOM 0 H CYS A 92 -3.844 20.649 17.304 1.00 0.00 H new ATOM 0 HA CYS A 92 -6.717 20.215 16.822 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -4.522 18.113 16.809 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -6.223 17.871 16.468 1.00 0.00 H new ATOM 1471 N GLN A 93 -6.793 19.538 19.303 1.00 0.00 N ATOM 1472 CA GLN A 93 -6.827 19.128 20.678 1.00 0.00 C ATOM 1473 C GLN A 93 -7.270 17.704 20.660 1.00 0.00 C ATOM 1474 O GLN A 93 -8.280 17.380 20.039 1.00 0.00 O ATOM 1475 CB GLN A 93 -7.807 19.951 21.531 1.00 0.00 C ATOM 1476 CG GLN A 93 -7.551 19.818 23.036 1.00 0.00 C ATOM 1477 CD GLN A 93 -8.600 20.651 23.770 1.00 0.00 C ATOM 1478 OE1 GLN A 93 -9.808 20.412 23.649 1.00 0.00 O ATOM 1479 NE2 GLN A 93 -8.105 21.655 24.555 1.00 0.00 N ATOM 0 H GLN A 93 -7.689 19.853 18.931 1.00 0.00 H new ATOM 0 HA GLN A 93 -5.844 19.273 21.126 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -7.733 21.001 21.247 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -8.826 19.632 21.312 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -7.612 18.774 23.342 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -6.548 20.165 23.284 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -7.098 21.805 24.616 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -8.743 22.254 25.080 1.00 0.00 H new ATOM 1488 N TYR A 94 -6.502 16.820 21.332 1.00 0.00 N ATOM 1489 CA TYR A 94 -6.777 15.412 21.319 1.00 0.00 C ATOM 1490 C TYR A 94 -7.024 14.945 22.712 1.00 0.00 C ATOM 1491 O TYR A 94 -6.197 15.131 23.600 1.00 0.00 O ATOM 1492 CB TYR A 94 -5.596 14.577 20.813 1.00 0.00 C ATOM 1493 CG TYR A 94 -5.480 14.743 19.344 1.00 0.00 C ATOM 1494 CD1 TYR A 94 -6.430 14.153 18.543 1.00 0.00 C ATOM 1495 CD2 TYR A 94 -4.441 15.440 18.761 1.00 0.00 C ATOM 1496 CE1 TYR A 94 -6.382 14.277 17.174 1.00 0.00 C ATOM 1497 CE2 TYR A 94 -4.394 15.578 17.390 1.00 0.00 C ATOM 1498 CZ TYR A 94 -5.361 15.001 16.595 1.00 0.00 C ATOM 1499 OH TYR A 94 -5.254 15.099 15.195 1.00 0.00 O ATOM 0 H TYR A 94 -5.687 17.083 21.886 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.634 15.280 20.659 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.675 14.894 21.301 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -5.744 13.526 21.062 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.227 13.583 18.997 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.668 15.876 19.376 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -7.137 13.812 16.558 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -3.593 16.143 16.935 1.00 0.00 H new ATOM 0 HH TYR A 94 -5.963 14.569 14.775 1.00 0.00 H new ATOM 1509 N ARG A 95 -8.184 14.287 22.898 1.00 0.00 N ATOM 1510 CA ARG A 95 -8.574 13.627 24.108 1.00 0.00 C ATOM 1511 C ARG A 95 -8.102 12.216 24.001 1.00 0.00 C ATOM 1512 O ARG A 95 -8.379 11.544 23.011 1.00 0.00 O ATOM 1513 CB ARG A 95 -10.109 13.581 24.226 1.00 0.00 C ATOM 1514 CG ARG A 95 -10.666 12.909 25.490 1.00 0.00 C ATOM 1515 CD ARG A 95 -12.178 13.118 25.621 1.00 0.00 C ATOM 1516 NE ARG A 95 -12.817 12.572 24.387 1.00 0.00 N ATOM 1517 CZ ARG A 95 -14.045 12.998 23.970 1.00 0.00 C ATOM 1518 NH1 ARG A 95 -14.768 13.877 24.723 1.00 0.00 N ATOM 1519 NH2 ARG A 95 -14.550 12.544 22.785 1.00 0.00 N ATOM 0 H ARG A 95 -8.888 14.212 22.164 1.00 0.00 H new ATOM 0 HA ARG A 95 -8.157 14.153 24.967 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -10.488 14.602 24.184 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -10.505 13.058 23.356 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -10.447 11.842 25.462 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -10.165 13.314 26.369 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -12.560 12.610 26.507 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -12.410 14.177 25.736 1.00 0.00 H new ATOM 0 HE ARG A 95 -12.324 11.864 23.843 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -14.392 14.222 25.606 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -15.685 14.189 24.403 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -14.010 11.891 22.217 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -15.467 12.858 22.468 1.00 0.00 H new ATOM 1533 N ALA A 96 -7.398 11.726 25.041 1.00 0.00 N ATOM 1534 CA ALA A 96 -6.999 10.350 25.081 1.00 0.00 C ATOM 1535 C ALA A 96 -8.101 9.552 25.690 1.00 0.00 C ATOM 1536 O ALA A 96 -8.598 9.884 26.765 1.00 0.00 O ATOM 1537 CB ALA A 96 -5.776 10.113 25.976 1.00 0.00 C ATOM 0 H ALA A 96 -7.107 12.278 25.848 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.765 10.063 24.056 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.519 9.054 25.968 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.933 10.694 25.601 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.006 10.423 26.995 1.00 0.00 H new ATOM 1543 N THR A 97 -8.489 8.460 24.999 1.00 0.00 N ATOM 1544 CA THR A 97 -9.460 7.524 25.486 1.00 0.00 C ATOM 1545 C THR A 97 -8.731 6.218 25.539 1.00 0.00 C ATOM 1546 O THR A 97 -8.700 5.469 24.563 1.00 0.00 O ATOM 1547 CB THR A 97 -10.678 7.425 24.594 1.00 0.00 C ATOM 1548 OG1 THR A 97 -11.203 8.725 24.368 1.00 0.00 O ATOM 1549 CG2 THR A 97 -11.763 6.555 25.258 1.00 0.00 C ATOM 0 H THR A 97 -8.118 8.222 24.079 1.00 0.00 H new ATOM 0 HA THR A 97 -9.850 7.834 26.456 1.00 0.00 H new ATOM 0 HB THR A 97 -10.383 6.968 23.649 1.00 0.00 H new ATOM 0 HG1 THR A 97 -11.991 8.663 23.789 1.00 0.00 H new ATOM 0 HG21 THR A 97 -12.632 6.494 24.603 1.00 0.00 H new ATOM 0 HG22 THR A 97 -11.370 5.554 25.433 1.00 0.00 H new ATOM 0 HG23 THR A 97 -12.056 7.001 26.209 1.00 0.00 H new ATOM 1557 N ALA A 98 -8.103 5.931 26.698 1.00 0.00 N ATOM 1558 CA ALA A 98 -7.243 4.789 26.830 1.00 0.00 C ATOM 1559 C ALA A 98 -8.026 3.580 27.228 1.00 0.00 C ATOM 1560 O ALA A 98 -9.048 3.674 27.906 1.00 0.00 O ATOM 1561 CB ALA A 98 -6.146 4.996 27.881 1.00 0.00 C ATOM 0 H ALA A 98 -8.191 6.491 27.546 1.00 0.00 H new ATOM 0 HA ALA A 98 -6.780 4.651 25.853 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -5.525 4.102 27.940 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -5.529 5.849 27.599 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -6.604 5.184 28.852 1.00 0.00 H new ATOM 1567 N GLY A 99 -7.525 2.400 26.809 1.00 0.00 N ATOM 1568 CA GLY A 99 -8.122 1.146 27.156 1.00 0.00 C ATOM 1569 C GLY A 99 -7.042 0.114 27.091 1.00 0.00 C ATOM 1570 O GLY A 99 -5.863 0.439 26.959 1.00 0.00 O ATOM 0 H GLY A 99 -6.695 2.317 26.222 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -8.555 1.189 28.155 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -8.931 0.901 26.468 1.00 0.00 H new ATOM 1574 N PHE A 100 -7.442 -1.169 27.189 1.00 0.00 N ATOM 1575 CA PHE A 100 -6.546 -2.278 27.026 1.00 0.00 C ATOM 1576 C PHE A 100 -7.419 -3.278 26.339 1.00 0.00 C ATOM 1577 O PHE A 100 -8.138 -4.041 26.982 1.00 0.00 O ATOM 1578 CB PHE A 100 -6.005 -2.818 28.369 1.00 0.00 C ATOM 1579 CG PHE A 100 -4.847 -3.754 28.192 1.00 0.00 C ATOM 1580 CD1 PHE A 100 -3.579 -3.262 27.948 1.00 0.00 C ATOM 1581 CD2 PHE A 100 -4.995 -5.116 28.379 1.00 0.00 C ATOM 1582 CE1 PHE A 100 -2.478 -4.089 27.929 1.00 0.00 C ATOM 1583 CE2 PHE A 100 -3.898 -5.955 28.340 1.00 0.00 C ATOM 1584 CZ PHE A 100 -2.634 -5.444 28.125 1.00 0.00 C ATOM 0 H PHE A 100 -8.405 -1.442 27.385 1.00 0.00 H new ATOM 0 HA PHE A 100 -5.642 -2.019 26.475 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -5.698 -1.981 28.995 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -6.806 -3.334 28.898 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -3.448 -2.205 27.768 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -5.977 -5.528 28.557 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -1.494 -3.676 27.761 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -4.030 -7.018 28.479 1.00 0.00 H new ATOM 0 HZ PHE A 100 -1.776 -6.100 28.111 1.00 0.00 H new ATOM 1594 N ARG A 101 -7.409 -3.231 24.992 1.00 0.00 N ATOM 1595 CA ARG A 101 -8.469 -3.789 24.204 1.00 0.00 C ATOM 1596 C ARG A 101 -7.881 -4.768 23.246 1.00 0.00 C ATOM 1597 O ARG A 101 -6.774 -4.572 22.750 1.00 0.00 O ATOM 1598 CB ARG A 101 -9.187 -2.694 23.390 1.00 0.00 C ATOM 1599 CG ARG A 101 -10.599 -3.071 22.922 1.00 0.00 C ATOM 1600 CD ARG A 101 -11.205 -1.994 22.022 1.00 0.00 C ATOM 1601 NE ARG A 101 -12.576 -2.422 21.611 1.00 0.00 N ATOM 1602 CZ ARG A 101 -13.699 -1.985 22.254 1.00 0.00 C ATOM 1603 NH1 ARG A 101 -13.611 -1.173 23.346 1.00 0.00 N ATOM 1604 NH2 ARG A 101 -14.928 -2.359 21.790 1.00 0.00 N ATOM 0 H ARG A 101 -6.661 -2.804 24.445 1.00 0.00 H new ATOM 0 HA ARG A 101 -9.187 -4.265 24.872 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -9.248 -1.790 23.996 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -8.581 -2.452 22.517 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -10.563 -4.017 22.382 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -11.241 -3.223 23.790 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -11.250 -1.042 22.551 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -10.579 -1.841 21.143 1.00 0.00 H new ATOM 0 HE ARG A 101 -12.677 -3.062 20.823 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -12.697 -0.883 23.694 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -14.459 -0.855 23.815 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -15.002 -2.960 20.969 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -15.772 -2.037 22.264 1.00 0.00 H new ATOM 1618 N ASN A 102 -8.647 -5.841 22.960 1.00 0.00 N ATOM 1619 CA ASN A 102 -8.310 -6.804 21.952 1.00 0.00 C ATOM 1620 C ASN A 102 -8.719 -6.233 20.628 1.00 0.00 C ATOM 1621 O ASN A 102 -9.838 -5.750 20.455 1.00 0.00 O ATOM 1622 CB ASN A 102 -8.932 -8.202 22.187 1.00 0.00 C ATOM 1623 CG ASN A 102 -10.461 -8.172 22.287 1.00 0.00 C ATOM 1624 OD1 ASN A 102 -11.065 -7.501 23.132 1.00 0.00 O ATOM 1625 ND2 ASN A 102 -11.096 -8.982 21.387 1.00 0.00 N ATOM 0 H ASN A 102 -9.523 -6.044 23.442 1.00 0.00 H new ATOM 0 HA ASN A 102 -7.235 -6.981 21.986 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -8.640 -8.864 21.372 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -8.522 -8.626 23.104 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -12.114 -9.052 21.393 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -10.552 -9.516 20.709 1.00 0.00 H new ATOM 1632 N VAL A 103 -7.763 -6.246 19.677 1.00 0.00 N ATOM 1633 CA VAL A 103 -7.855 -5.468 18.474 1.00 0.00 C ATOM 1634 C VAL A 103 -8.190 -6.364 17.320 1.00 0.00 C ATOM 1635 O VAL A 103 -7.654 -7.463 17.195 1.00 0.00 O ATOM 1636 CB VAL A 103 -6.584 -4.678 18.190 1.00 0.00 C ATOM 1637 CG1 VAL A 103 -6.343 -3.714 19.370 1.00 0.00 C ATOM 1638 CG2 VAL A 103 -5.360 -5.591 17.989 1.00 0.00 C ATOM 0 H VAL A 103 -6.912 -6.805 19.744 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.651 -4.736 18.613 1.00 0.00 H new ATOM 0 HB VAL A 103 -6.716 -4.126 17.259 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -5.436 -3.137 19.189 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -7.192 -3.037 19.466 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -6.230 -4.287 20.291 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -4.479 -4.980 17.789 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -5.195 -6.182 18.890 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -5.538 -6.258 17.145 1.00 0.00 H new ATOM 1648 N VAL A 104 -9.088 -5.889 16.431 1.00 0.00 N ATOM 1649 CA VAL A 104 -9.357 -6.549 15.181 1.00 0.00 C ATOM 1650 C VAL A 104 -8.486 -5.860 14.191 1.00 0.00 C ATOM 1651 O VAL A 104 -8.706 -4.688 13.894 1.00 0.00 O ATOM 1652 CB VAL A 104 -10.798 -6.444 14.710 1.00 0.00 C ATOM 1653 CG1 VAL A 104 -10.958 -7.034 13.294 1.00 0.00 C ATOM 1654 CG2 VAL A 104 -11.688 -7.213 15.697 1.00 0.00 C ATOM 0 H VAL A 104 -9.633 -5.040 16.579 1.00 0.00 H new ATOM 0 HA VAL A 104 -9.168 -7.616 15.296 1.00 0.00 H new ATOM 0 HB VAL A 104 -11.090 -5.394 14.672 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -11.998 -6.947 12.979 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -10.321 -6.488 12.598 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -10.668 -8.085 13.303 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -12.728 -7.149 15.375 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -11.381 -8.258 15.726 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -11.589 -6.778 16.692 1.00 0.00 H new ATOM 1664 N VAL A 105 -7.492 -6.595 13.651 1.00 0.00 N ATOM 1665 CA VAL A 105 -6.688 -6.091 12.567 1.00 0.00 C ATOM 1666 C VAL A 105 -7.068 -6.940 11.387 1.00 0.00 C ATOM 1667 O VAL A 105 -7.284 -8.142 11.538 1.00 0.00 O ATOM 1668 CB VAL A 105 -5.182 -6.103 12.808 1.00 0.00 C ATOM 1669 CG1 VAL A 105 -4.879 -5.342 14.110 1.00 0.00 C ATOM 1670 CG2 VAL A 105 -4.580 -7.516 12.889 1.00 0.00 C ATOM 0 H VAL A 105 -7.243 -7.534 13.961 1.00 0.00 H new ATOM 0 HA VAL A 105 -6.891 -5.030 12.423 1.00 0.00 H new ATOM 0 HB VAL A 105 -4.719 -5.620 11.948 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.804 -5.345 14.291 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -5.229 -4.314 14.020 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -5.389 -5.827 14.942 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -3.506 -7.445 13.062 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.044 -8.063 13.710 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -4.763 -8.044 11.953 1.00 0.00 H new ATOM 1680 N ALA A 106 -7.164 -6.337 10.183 1.00 0.00 N ATOM 1681 CA ALA A 106 -7.416 -7.102 8.990 1.00 0.00 C ATOM 1682 C ALA A 106 -6.085 -7.471 8.444 1.00 0.00 C ATOM 1683 O ALA A 106 -5.237 -6.595 8.276 1.00 0.00 O ATOM 1684 CB ALA A 106 -8.148 -6.334 7.885 1.00 0.00 C ATOM 0 H ALA A 106 -7.069 -5.332 10.034 1.00 0.00 H new ATOM 0 HA ALA A 106 -8.052 -7.942 9.269 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -8.296 -6.987 7.025 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -9.116 -5.998 8.256 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -7.554 -5.470 7.587 1.00 0.00 H new ATOM 1690 N CYS A 107 -5.887 -8.782 8.172 1.00 0.00 N ATOM 1691 CA CYS A 107 -4.616 -9.292 7.739 1.00 0.00 C ATOM 1692 C CYS A 107 -4.658 -9.670 6.299 1.00 0.00 C ATOM 1693 O CYS A 107 -5.704 -10.015 5.751 1.00 0.00 O ATOM 1694 CB CYS A 107 -4.178 -10.560 8.488 1.00 0.00 C ATOM 1695 SG CYS A 107 -4.093 -10.313 10.280 1.00 0.00 S ATOM 0 H CYS A 107 -6.615 -9.492 8.254 1.00 0.00 H new ATOM 0 HA CYS A 107 -3.914 -8.482 7.938 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -4.877 -11.367 8.269 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -3.201 -10.875 8.121 1.00 0.00 H new ATOM 1700 N GLU A 108 -3.464 -9.626 5.678 1.00 0.00 N ATOM 1701 CA GLU A 108 -3.238 -10.076 4.339 1.00 0.00 C ATOM 1702 C GLU A 108 -1.842 -10.593 4.394 1.00 0.00 C ATOM 1703 O GLU A 108 -0.947 -9.887 4.848 1.00 0.00 O ATOM 1704 CB GLU A 108 -3.297 -8.936 3.301 1.00 0.00 C ATOM 1705 CG GLU A 108 -3.076 -9.377 1.848 1.00 0.00 C ATOM 1706 CD GLU A 108 -3.250 -8.148 0.965 1.00 0.00 C ATOM 1707 OE1 GLU A 108 -2.442 -7.193 1.113 1.00 0.00 O ATOM 1708 OE2 GLU A 108 -4.194 -8.149 0.132 1.00 0.00 O ATOM 0 H GLU A 108 -2.623 -9.262 6.127 1.00 0.00 H new ATOM 0 HA GLU A 108 -3.995 -10.798 4.032 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -4.269 -8.447 3.374 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -2.545 -8.190 3.558 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -2.079 -9.801 1.723 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -3.789 -10.153 1.570 1.00 0.00 H new ATOM 1715 N ASN A 109 -1.633 -11.850 3.944 1.00 0.00 N ATOM 1716 CA ASN A 109 -0.360 -12.536 3.845 1.00 0.00 C ATOM 1717 C ASN A 109 0.261 -12.903 5.167 1.00 0.00 C ATOM 1718 O ASN A 109 1.424 -13.302 5.214 1.00 0.00 O ATOM 1719 CB ASN A 109 0.682 -11.923 2.853 1.00 0.00 C ATOM 1720 CG ASN A 109 1.454 -10.669 3.310 1.00 0.00 C ATOM 1721 OD1 ASN A 109 2.341 -10.708 4.170 1.00 0.00 O ATOM 1722 ND2 ASN A 109 1.117 -9.519 2.646 1.00 0.00 N ATOM 0 H ASN A 109 -2.406 -12.434 3.625 1.00 0.00 H new ATOM 0 HA ASN A 109 -0.662 -13.472 3.375 1.00 0.00 H new ATOM 0 HB2 ASN A 109 1.411 -12.697 2.612 1.00 0.00 H new ATOM 0 HB3 ASN A 109 0.160 -11.677 1.928 1.00 0.00 H new ATOM 0 HD21 ASN A 109 1.605 -8.648 2.854 1.00 0.00 H new ATOM 0 HD22 ASN A 109 0.378 -9.534 1.943 1.00 0.00 H new ATOM 1729 N GLY A 110 -0.509 -12.795 6.272 1.00 0.00 N ATOM 1730 CA GLY A 110 -0.030 -13.122 7.581 1.00 0.00 C ATOM 1731 C GLY A 110 0.556 -11.909 8.236 1.00 0.00 C ATOM 1732 O GLY A 110 1.266 -12.041 9.233 1.00 0.00 O ATOM 0 H GLY A 110 -1.478 -12.476 6.253 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -0.847 -13.513 8.188 1.00 0.00 H new ATOM 0 HA3 GLY A 110 0.723 -13.908 7.515 1.00 0.00 H new ATOM 1736 N LEU A 111 0.266 -10.700 7.702 1.00 0.00 N ATOM 1737 CA LEU A 111 0.784 -9.492 8.287 1.00 0.00 C ATOM 1738 C LEU A 111 -0.338 -8.492 8.176 1.00 0.00 C ATOM 1739 O LEU A 111 -1.028 -8.530 7.164 1.00 0.00 O ATOM 1740 CB LEU A 111 2.079 -9.084 7.554 1.00 0.00 C ATOM 1741 CG LEU A 111 2.683 -7.687 7.697 1.00 0.00 C ATOM 1742 CD1 LEU A 111 3.686 -7.685 8.856 1.00 0.00 C ATOM 1743 CD2 LEU A 111 3.433 -7.287 6.417 1.00 0.00 C ATOM 0 H LEU A 111 -0.318 -10.560 6.878 1.00 0.00 H new ATOM 0 HA LEU A 111 1.074 -9.589 9.333 1.00 0.00 H new ATOM 0 HB2 LEU A 111 2.849 -9.793 7.858 1.00 0.00 H new ATOM 0 HB3 LEU A 111 1.902 -9.243 6.490 1.00 0.00 H new ATOM 0 HG LEU A 111 1.874 -6.981 7.882 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.119 -6.690 8.961 1.00 0.00 H new ATOM 0 HD12 LEU A 111 3.175 -7.958 9.780 1.00 0.00 H new ATOM 0 HD13 LEU A 111 4.478 -8.406 8.653 1.00 0.00 H new ATOM 0 HD21 LEU A 111 3.855 -6.290 6.539 1.00 0.00 H new ATOM 0 HD22 LEU A 111 4.235 -8.000 6.228 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.741 -7.287 5.575 1.00 0.00 H new ATOM 1755 N PRO A 112 -0.588 -7.606 9.135 1.00 0.00 N ATOM 1756 CA PRO A 112 -1.747 -6.747 9.091 1.00 0.00 C ATOM 1757 C PRO A 112 -1.620 -5.704 8.020 1.00 0.00 C ATOM 1758 O PRO A 112 -0.510 -5.324 7.659 1.00 0.00 O ATOM 1759 CB PRO A 112 -1.769 -6.082 10.455 1.00 0.00 C ATOM 1760 CG PRO A 112 -1.208 -7.153 11.378 1.00 0.00 C ATOM 1761 CD PRO A 112 -0.147 -7.812 10.505 1.00 0.00 C ATOM 0 HA PRO A 112 -2.655 -7.307 8.867 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -1.160 -5.178 10.471 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -2.779 -5.791 10.744 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -0.780 -6.725 12.285 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -1.974 -7.862 11.691 1.00 0.00 H new ATOM 0 HD2 PRO A 112 0.833 -7.365 10.673 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -0.056 -8.874 10.732 1.00 0.00 H new ATOM 1769 N VAL A 113 -2.765 -5.239 7.493 1.00 0.00 N ATOM 1770 CA VAL A 113 -2.777 -4.262 6.446 1.00 0.00 C ATOM 1771 C VAL A 113 -3.782 -3.199 6.738 1.00 0.00 C ATOM 1772 O VAL A 113 -3.643 -2.087 6.233 1.00 0.00 O ATOM 1773 CB VAL A 113 -3.089 -4.814 5.070 1.00 0.00 C ATOM 1774 CG1 VAL A 113 -1.784 -5.282 4.409 1.00 0.00 C ATOM 1775 CG2 VAL A 113 -4.110 -5.961 5.164 1.00 0.00 C ATOM 0 H VAL A 113 -3.691 -5.542 7.794 1.00 0.00 H new ATOM 0 HA VAL A 113 -1.759 -3.872 6.424 1.00 0.00 H new ATOM 0 HB VAL A 113 -3.536 -4.032 4.456 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -2.001 -5.681 3.418 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -1.099 -4.439 4.319 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -1.325 -6.059 5.020 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -4.321 -6.343 4.165 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -3.702 -6.762 5.781 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -5.032 -5.591 5.613 1.00 0.00 H new ATOM 1785 N HIS A 114 -4.833 -3.507 7.529 1.00 0.00 N ATOM 1786 CA HIS A 114 -5.886 -2.545 7.724 1.00 0.00 C ATOM 1787 C HIS A 114 -6.321 -2.682 9.132 1.00 0.00 C ATOM 1788 O HIS A 114 -5.806 -3.522 9.868 1.00 0.00 O ATOM 1789 CB HIS A 114 -7.140 -2.736 6.852 1.00 0.00 C ATOM 1790 CG HIS A 114 -6.852 -3.043 5.416 1.00 0.00 C ATOM 1791 ND1 HIS A 114 -6.778 -4.235 4.780 1.00 0.00 N flip ATOM 1792 CD2 HIS A 114 -6.574 -2.073 4.494 1.00 0.00 C flip ATOM 1793 CE1 HIS A 114 -6.458 -3.973 3.475 1.00 0.00 C flip ATOM 1794 NE2 HIS A 114 -6.340 -2.661 3.330 1.00 0.00 N flip ATOM 0 H HIS A 114 -4.955 -4.393 8.020 1.00 0.00 H new ATOM 0 HA HIS A 114 -5.472 -1.574 7.450 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -7.739 -3.544 7.271 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -7.745 -1.831 6.903 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -6.549 -1.010 4.682 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -6.325 -4.710 2.697 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -6.106 -2.181 2.461 1.00 0.00 H new ATOM 1803 N LEU A 115 -7.284 -1.829 9.529 1.00 0.00 N ATOM 1804 CA LEU A 115 -7.697 -1.752 10.891 1.00 0.00 C ATOM 1805 C LEU A 115 -9.174 -1.605 10.893 1.00 0.00 C ATOM 1806 O LEU A 115 -9.727 -0.866 10.078 1.00 0.00 O ATOM 1807 CB LEU A 115 -7.111 -0.500 11.569 1.00 0.00 C ATOM 1808 CG LEU A 115 -6.846 -0.597 13.094 1.00 0.00 C ATOM 1809 CD1 LEU A 115 -6.600 -1.972 13.732 1.00 0.00 C ATOM 1810 CD2 LEU A 115 -5.801 0.413 13.567 1.00 0.00 C ATOM 0 H LEU A 115 -7.776 -1.192 8.902 1.00 0.00 H new ATOM 0 HA LEU A 115 -7.360 -2.641 11.424 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -6.171 -0.253 11.075 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -7.792 0.333 11.394 1.00 0.00 H new ATOM 0 HG LEU A 115 -7.836 -0.344 13.474 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -6.433 -1.852 14.802 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -7.469 -2.609 13.570 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -5.723 -2.432 13.277 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -5.651 0.305 14.641 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -4.859 0.232 13.049 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -6.147 1.423 13.349 1.00 0.00 H new ATOM 1822 N ASP A 116 -9.836 -2.298 11.840 1.00 0.00 N ATOM 1823 CA ASP A 116 -11.220 -2.050 12.103 1.00 0.00 C ATOM 1824 C ASP A 116 -11.215 -0.926 13.086 1.00 0.00 C ATOM 1825 O ASP A 116 -10.619 -1.029 14.157 1.00 0.00 O ATOM 1826 CB ASP A 116 -11.960 -3.267 12.687 1.00 0.00 C ATOM 1827 CG ASP A 116 -13.456 -2.979 12.738 1.00 0.00 C ATOM 1828 OD1 ASP A 116 -14.029 -2.618 11.675 1.00 0.00 O ATOM 1829 OD2 ASP A 116 -14.051 -3.132 13.836 1.00 0.00 O ATOM 0 H ASP A 116 -9.416 -3.025 12.419 1.00 0.00 H new ATOM 0 HA ASP A 116 -11.751 -1.821 11.179 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -11.770 -4.149 12.075 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -11.587 -3.486 13.687 1.00 0.00 H new ATOM 1834 N GLN A 117 -11.875 0.189 12.708 1.00 0.00 N ATOM 1835 CA GLN A 117 -11.862 1.404 13.472 1.00 0.00 C ATOM 1836 C GLN A 117 -13.208 1.567 14.109 1.00 0.00 C ATOM 1837 O GLN A 117 -13.506 2.631 14.644 1.00 0.00 O ATOM 1838 CB GLN A 117 -11.638 2.655 12.588 1.00 0.00 C ATOM 1839 CG GLN A 117 -10.300 2.700 11.828 1.00 0.00 C ATOM 1840 CD GLN A 117 -9.228 3.400 12.669 1.00 0.00 C ATOM 1841 OE1 GLN A 117 -8.796 2.731 13.777 1.00 0.00 O flip ATOM 1842 NE2 GLN A 117 -8.789 4.507 12.331 1.00 0.00 N flip ATOM 0 H GLN A 117 -12.429 0.247 11.854 1.00 0.00 H new ATOM 0 HA GLN A 117 -11.049 1.329 14.194 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -12.450 2.716 11.863 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -11.707 3.541 13.219 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -9.978 1.687 11.587 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -10.430 3.226 10.882 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -9.148 4.963 11.492 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -8.069 4.963 12.891 1.00 0.00 H new ATOM 1851 N SER A 118 -14.061 0.517 14.050 1.00 0.00 N ATOM 1852 CA SER A 118 -15.427 0.595 14.496 1.00 0.00 C ATOM 1853 C SER A 118 -15.499 0.148 15.923 1.00 0.00 C ATOM 1854 O SER A 118 -16.445 0.467 16.641 1.00 0.00 O ATOM 1855 CB SER A 118 -16.363 -0.296 13.660 1.00 0.00 C ATOM 1856 OG SER A 118 -17.720 -0.087 14.027 1.00 0.00 O ATOM 0 H SER A 118 -13.798 -0.399 13.687 1.00 0.00 H new ATOM 0 HA SER A 118 -15.752 1.629 14.385 1.00 0.00 H new ATOM 0 HB2 SER A 118 -16.230 -0.077 12.600 1.00 0.00 H new ATOM 0 HB3 SER A 118 -16.100 -1.344 13.804 1.00 0.00 H new ATOM 0 HG SER A 118 -18.298 -0.662 13.483 1.00 0.00 H new ATOM 1862 N ILE A 119 -14.469 -0.607 16.355 1.00 0.00 N ATOM 1863 CA ILE A 119 -14.304 -1.020 17.719 1.00 0.00 C ATOM 1864 C ILE A 119 -13.816 0.098 18.554 1.00 0.00 C ATOM 1865 O ILE A 119 -14.193 0.231 19.718 1.00 0.00 O ATOM 1866 CB ILE A 119 -13.300 -2.129 17.909 1.00 0.00 C ATOM 1867 CG1 ILE A 119 -12.264 -2.227 16.767 1.00 0.00 C ATOM 1868 CG2 ILE A 119 -14.109 -3.401 18.138 1.00 0.00 C ATOM 1869 CD1 ILE A 119 -11.284 -3.388 16.939 1.00 0.00 C ATOM 0 H ILE A 119 -13.729 -0.940 15.737 1.00 0.00 H new ATOM 0 HA ILE A 119 -15.295 -1.367 18.011 1.00 0.00 H new ATOM 0 HB ILE A 119 -12.665 -1.933 18.773 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -12.789 -2.341 15.818 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -11.704 -1.293 16.712 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -13.431 -4.242 18.283 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -14.733 -3.281 19.024 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -14.742 -3.590 17.271 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -10.584 -3.400 16.104 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -10.734 -3.265 17.872 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -11.835 -4.328 16.964 1.00 0.00 H new ATOM 1881 N PHE A 120 -12.936 0.926 17.961 1.00 0.00 N ATOM 1882 CA PHE A 120 -12.218 1.928 18.680 1.00 0.00 C ATOM 1883 C PHE A 120 -13.006 3.193 18.612 1.00 0.00 C ATOM 1884 O PHE A 120 -12.677 4.181 19.264 1.00 0.00 O ATOM 1885 CB PHE A 120 -10.836 2.178 18.060 1.00 0.00 C ATOM 1886 CG PHE A 120 -10.031 0.912 17.919 1.00 0.00 C ATOM 1887 CD1 PHE A 120 -10.142 -0.196 18.753 1.00 0.00 C ATOM 1888 CD2 PHE A 120 -9.100 0.863 16.898 1.00 0.00 C ATOM 1889 CE1 PHE A 120 -9.289 -1.272 18.604 1.00 0.00 C ATOM 1890 CE2 PHE A 120 -8.261 -0.213 16.741 1.00 0.00 C ATOM 1891 CZ PHE A 120 -8.348 -1.280 17.599 1.00 0.00 C ATOM 0 H PHE A 120 -12.721 0.897 16.964 1.00 0.00 H new ATOM 0 HA PHE A 120 -12.077 1.595 19.708 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -10.959 2.638 17.080 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -10.286 2.888 18.679 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -10.900 -0.215 19.522 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -9.031 1.691 16.207 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -9.361 -2.112 19.279 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -7.533 -0.219 15.943 1.00 0.00 H new ATOM 0 HZ PHE A 120 -7.681 -2.122 17.487 1.00 0.00 H new ATOM 1901 N ARG A 121 -14.085 3.157 17.808 1.00 0.00 N ATOM 1902 CA ARG A 121 -15.005 4.248 17.669 1.00 0.00 C ATOM 1903 C ARG A 121 -16.344 3.642 17.932 1.00 0.00 C ATOM 1904 O ARG A 121 -17.213 3.597 17.062 1.00 0.00 O ATOM 1905 CB ARG A 121 -14.950 4.896 16.272 1.00 0.00 C ATOM 1906 CG ARG A 121 -15.608 6.277 16.167 1.00 0.00 C ATOM 1907 CD ARG A 121 -15.275 6.942 14.827 1.00 0.00 C ATOM 1908 NE ARG A 121 -15.892 8.299 14.796 1.00 0.00 N ATOM 1909 CZ ARG A 121 -15.439 9.259 13.935 1.00 0.00 C ATOM 1910 NH1 ARG A 121 -14.422 8.990 13.067 1.00 0.00 N ATOM 1911 NH2 ARG A 121 -16.006 10.501 13.951 1.00 0.00 N ATOM 0 H ARG A 121 -14.326 2.346 17.238 1.00 0.00 H new ATOM 0 HA ARG A 121 -14.767 5.059 18.357 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -13.906 4.985 15.971 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -15.432 4.227 15.559 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -16.689 6.178 16.270 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -15.267 6.910 16.986 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -14.195 7.016 14.701 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -15.652 6.337 14.002 1.00 0.00 H new ATOM 0 HE ARG A 121 -16.664 8.514 15.427 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -13.992 8.065 13.056 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -14.092 9.714 12.429 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -16.763 10.708 14.603 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -15.673 11.222 13.311 1.00 0.00 H new ATOM 1925 N ARG A 122 -16.508 3.130 19.170 1.00 0.00 N ATOM 1926 CA ARG A 122 -17.709 2.478 19.598 1.00 0.00 C ATOM 1927 C ARG A 122 -18.760 3.524 19.875 1.00 0.00 C ATOM 1928 O ARG A 122 -18.411 4.621 20.312 1.00 0.00 O ATOM 1929 CB ARG A 122 -17.518 1.652 20.890 1.00 0.00 C ATOM 1930 CG ARG A 122 -16.613 2.318 21.939 1.00 0.00 C ATOM 1931 CD ARG A 122 -16.868 1.810 23.362 1.00 0.00 C ATOM 1932 NE ARG A 122 -16.746 0.326 23.379 1.00 0.00 N ATOM 1933 CZ ARG A 122 -17.048 -0.376 24.511 1.00 0.00 C ATOM 1934 NH1 ARG A 122 -17.423 0.280 25.648 1.00 0.00 N ATOM 1935 NH2 ARG A 122 -16.972 -1.739 24.509 1.00 0.00 N ATOM 0 H ARG A 122 -15.787 3.171 19.890 1.00 0.00 H new ATOM 0 HA ARG A 122 -18.003 1.797 18.799 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -18.495 1.466 21.336 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -17.097 0.681 20.628 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -15.570 2.139 21.677 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -16.768 3.397 21.911 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -16.152 2.254 24.054 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -17.862 2.109 23.696 1.00 0.00 H new ATOM 0 HE ARG A 122 -16.436 -0.168 22.542 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -17.479 1.298 25.654 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -17.648 -0.248 26.491 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -16.690 -2.233 23.662 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -17.197 -2.264 25.354 1.00 0.00 H new ATOM 1949 N PRO A 123 -20.039 3.258 19.660 1.00 0.00 N ATOM 1950 CA PRO A 123 -21.077 4.172 20.034 1.00 0.00 C ATOM 1951 C PRO A 123 -21.159 4.115 21.537 1.00 0.00 C ATOM 1952 O PRO A 123 -21.387 5.193 22.152 1.00 0.00 O ATOM 1953 CB PRO A 123 -22.343 3.624 19.369 1.00 0.00 C ATOM 1954 CG PRO A 123 -22.060 2.135 19.147 1.00 0.00 C ATOM 1955 CD PRO A 123 -20.544 2.091 18.958 1.00 0.00 C ATOM 1956 OXT PRO A 123 -21.039 3.001 22.119 1.00 0.00 O ATOM 0 HA PRO A 123 -20.920 5.207 19.731 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -23.217 3.769 20.004 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -22.546 4.132 18.426 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -22.377 1.534 19.999 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -22.586 1.751 18.273 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -20.123 1.173 19.367 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -20.278 2.121 17.901 1.00 0.00 H new TER 1964 PRO A 123