USER MOD reduce.3.24.130724 H: found=0, std=0, add=991, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 989 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 83 THR OG1 : rot 180:sc= -0.325 USER MOD Set 1.2: A 86 GLN : amide:sc= -0.208 K(o=-0.53,f=-6.9!) USER MOD Set 2.1: A 70 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 71 CYS SG : rot -1:sc= 0.0289 USER MOD Set 3.1: A 8 MET CE :methyl -114:sc= -1.81! (180deg=-4.09!) USER MOD Set 3.2: A 40 THR OG1 : rot 101:sc= -0.181 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -56:sc= 0.0144 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 24 CYS SG : rot -94:sc= -0.0136 USER MOD Single : A 27 HIS : no HD1:sc= -0.175 X(o=-0.17,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= -0.0801 USER MOD Single : A 35 SER OG : rot 170:sc= 0 USER MOD Single : A 37 THR OG1 : rot -53:sc= 0.939 USER MOD Single : A 45 HIS : no HD1:sc= -0.303 X(o=-0.3,f=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 HIS : no HE2:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 67 ASN : amide:sc= -0.304 X(o=-0.3,f=-0.13) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 21:sc= 0.00059 USER MOD Single : A 78 ASN : amide:sc= -2.69! C(o=-2.7!,f=-1.9!) USER MOD Single : A 79 SER OG : rot 85:sc= 1.26 USER MOD Single : A 81 GLN : amide:sc= -0.469 X(o=-0.47,f=-0.47) USER MOD Single : A 87 CYS SG : rot -26:sc= -1.57 USER MOD Single : A 89 THR OG1 : rot 64:sc= 0.385 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.815) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 106 MET CE :methyl -138:sc= -0.213 (180deg=-2.67!) USER MOD Single : A 108 HIS : no HE2:sc= -0.413 K(o=-0.41,f=-1.5) USER MOD Single : A 115 GLN : amide:sc= -1.43 K(o=-1.4,f=-6.1!) USER MOD Single : A 116 GLN : amide:sc=-0.00457 X(o=-0.0046,f=-0.15) USER MOD Single : A 117 ASN : amide:sc= 0.192 X(o=0.19,f=-0.17) USER MOD Single : A 120 HIS : no HD1:sc= -0.0169 X(o=-0.017,f=0) USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 124 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.385 23.700 15.820 1.00 0.00 N ATOM 2 CA GLY A 1 -16.008 23.300 14.477 1.00 0.00 C ATOM 3 C GLY A 1 -16.136 24.432 13.477 1.00 0.00 C ATOM 4 O GLY A 1 -15.431 25.437 13.572 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.280 22.891 16.465 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.771 24.477 16.136 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.375 24.019 15.822 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.979 22.940 14.484 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.635 22.467 14.160 1.00 0.00 H new ATOM 8 N SER A 2 -17.038 24.270 12.514 1.00 0.00 N ATOM 9 CA SER A 2 -17.252 25.284 11.489 1.00 0.00 C ATOM 10 C SER A 2 -15.997 25.475 10.642 1.00 0.00 C ATOM 11 O SER A 2 -15.624 26.600 10.311 1.00 0.00 O ATOM 12 CB SER A 2 -17.654 26.613 12.132 1.00 0.00 C ATOM 13 OG SER A 2 -18.310 27.453 11.199 1.00 0.00 O ATOM 0 H SER A 2 -17.632 23.446 12.423 1.00 0.00 H new ATOM 0 HA SER A 2 -18.059 24.944 10.840 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.311 26.426 12.982 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.768 27.116 12.519 1.00 0.00 H new ATOM 0 HG SER A 2 -17.731 27.593 10.421 1.00 0.00 H new ATOM 19 N SER A 3 -15.351 24.366 10.296 1.00 0.00 N ATOM 20 CA SER A 3 -14.136 24.410 9.491 1.00 0.00 C ATOM 21 C SER A 3 -14.396 23.878 8.085 1.00 0.00 C ATOM 22 O SER A 3 -15.218 22.985 7.889 1.00 0.00 O ATOM 23 CB SER A 3 -13.026 23.595 10.160 1.00 0.00 C ATOM 24 OG SER A 3 -11.946 23.378 9.269 1.00 0.00 O ATOM 0 H SER A 3 -15.648 23.427 10.560 1.00 0.00 H new ATOM 0 HA SER A 3 -13.818 25.450 9.414 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.670 24.119 11.047 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.425 22.637 10.494 1.00 0.00 H new ATOM 0 HG SER A 3 -11.249 22.857 9.720 1.00 0.00 H new ATOM 30 N GLY A 4 -13.687 24.436 7.108 1.00 0.00 N ATOM 31 CA GLY A 4 -13.855 24.006 5.732 1.00 0.00 C ATOM 32 C GLY A 4 -13.363 22.591 5.502 1.00 0.00 C ATOM 33 O GLY A 4 -12.158 22.347 5.442 1.00 0.00 O ATOM 0 H GLY A 4 -13.000 25.177 7.245 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.909 24.069 5.461 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.315 24.687 5.074 1.00 0.00 H new ATOM 37 N SER A 5 -14.299 21.655 5.375 1.00 0.00 N ATOM 38 CA SER A 5 -13.954 20.255 5.157 1.00 0.00 C ATOM 39 C SER A 5 -13.522 20.021 3.712 1.00 0.00 C ATOM 40 O SER A 5 -12.428 19.520 3.454 1.00 0.00 O ATOM 41 CB SER A 5 -15.144 19.356 5.497 1.00 0.00 C ATOM 42 OG SER A 5 -14.846 17.995 5.236 1.00 0.00 O ATOM 0 H SER A 5 -15.301 21.841 5.419 1.00 0.00 H new ATOM 0 HA SER A 5 -13.120 20.005 5.813 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.408 19.479 6.547 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.012 19.660 4.912 1.00 0.00 H new ATOM 0 HG SER A 5 -15.622 17.441 5.463 1.00 0.00 H new ATOM 48 N SER A 6 -14.390 20.387 2.775 1.00 0.00 N ATOM 49 CA SER A 6 -14.102 20.214 1.356 1.00 0.00 C ATOM 50 C SER A 6 -12.914 21.074 0.935 1.00 0.00 C ATOM 51 O SER A 6 -12.986 22.302 0.946 1.00 0.00 O ATOM 52 CB SER A 6 -15.329 20.574 0.517 1.00 0.00 C ATOM 53 OG SER A 6 -16.436 19.757 0.856 1.00 0.00 O ATOM 0 H SER A 6 -15.299 20.805 2.973 1.00 0.00 H new ATOM 0 HA SER A 6 -13.850 19.167 1.186 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.585 21.622 0.673 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.097 20.457 -0.542 1.00 0.00 H new ATOM 0 HG SER A 6 -17.208 20.008 0.307 1.00 0.00 H new ATOM 59 N GLY A 7 -11.819 20.417 0.563 1.00 0.00 N ATOM 60 CA GLY A 7 -10.630 21.135 0.143 1.00 0.00 C ATOM 61 C GLY A 7 -9.539 21.117 1.196 1.00 0.00 C ATOM 62 O GLY A 7 -9.507 21.971 2.081 1.00 0.00 O ATOM 0 H GLY A 7 -11.735 19.401 0.545 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.249 20.693 -0.778 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.894 22.168 -0.084 1.00 0.00 H new ATOM 66 N MET A 8 -8.644 20.139 1.101 1.00 0.00 N ATOM 67 CA MET A 8 -7.547 20.013 2.053 1.00 0.00 C ATOM 68 C MET A 8 -6.215 20.363 1.398 1.00 0.00 C ATOM 69 O MET A 8 -5.466 21.199 1.901 1.00 0.00 O ATOM 70 CB MET A 8 -7.494 18.592 2.617 1.00 0.00 C ATOM 71 CG MET A 8 -6.664 18.472 3.885 1.00 0.00 C ATOM 72 SD MET A 8 -6.975 16.936 4.776 1.00 0.00 S ATOM 73 CE MET A 8 -6.791 15.736 3.459 1.00 0.00 C ATOM 0 H MET A 8 -8.657 19.423 0.375 1.00 0.00 H new ATOM 0 HA MET A 8 -7.725 20.714 2.869 1.00 0.00 H new ATOM 0 HB2 MET A 8 -8.509 18.254 2.824 1.00 0.00 H new ATOM 0 HB3 MET A 8 -7.084 17.924 1.859 1.00 0.00 H new ATOM 0 HG2 MET A 8 -5.606 18.531 3.629 1.00 0.00 H new ATOM 0 HG3 MET A 8 -6.882 19.317 4.538 1.00 0.00 H new ATOM 0 HE1 MET A 8 -7.751 15.256 3.267 1.00 0.00 H new ATOM 0 HE2 MET A 8 -6.449 16.238 2.554 1.00 0.00 H new ATOM 0 HE3 MET A 8 -6.061 14.982 3.753 1.00 0.00 H new ATOM 83 N ALA A 9 -5.926 19.716 0.273 1.00 0.00 N ATOM 84 CA ALA A 9 -4.685 19.961 -0.452 1.00 0.00 C ATOM 85 C ALA A 9 -4.812 19.545 -1.914 1.00 0.00 C ATOM 86 O ALA A 9 -5.696 18.767 -2.272 1.00 0.00 O ATOM 87 CB ALA A 9 -3.533 19.221 0.211 1.00 0.00 C ATOM 0 H ALA A 9 -6.534 19.019 -0.156 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.480 21.031 -0.423 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.612 19.412 -0.340 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.420 19.569 1.238 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -3.740 18.151 0.211 1.00 0.00 H new ATOM 93 N GLU A 10 -3.924 20.068 -2.752 1.00 0.00 N ATOM 94 CA GLU A 10 -3.939 19.752 -4.176 1.00 0.00 C ATOM 95 C GLU A 10 -3.575 18.289 -4.411 1.00 0.00 C ATOM 96 O GLU A 10 -4.352 17.511 -4.966 1.00 0.00 O ATOM 97 CB GLU A 10 -2.967 20.659 -4.933 1.00 0.00 C ATOM 98 CG GLU A 10 -3.621 21.900 -5.516 1.00 0.00 C ATOM 99 CD GLU A 10 -2.609 22.932 -5.976 1.00 0.00 C ATOM 100 OE1 GLU A 10 -1.680 23.237 -5.199 1.00 0.00 O ATOM 101 OE2 GLU A 10 -2.746 23.433 -7.111 1.00 0.00 O ATOM 0 H GLU A 10 -3.185 20.712 -2.470 1.00 0.00 H new ATOM 0 HA GLU A 10 -4.949 19.923 -4.550 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.167 20.963 -4.258 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.505 20.089 -5.739 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.250 21.613 -6.359 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.275 22.347 -4.768 1.00 0.00 H new ATOM 108 N PRO A 11 -2.365 17.903 -3.980 1.00 0.00 N ATOM 109 CA PRO A 11 -1.870 16.532 -4.132 1.00 0.00 C ATOM 110 C PRO A 11 -2.611 15.545 -3.237 1.00 0.00 C ATOM 111 O PRO A 11 -3.011 14.468 -3.681 1.00 0.00 O ATOM 112 CB PRO A 11 -0.401 16.637 -3.712 1.00 0.00 C ATOM 113 CG PRO A 11 -0.351 17.813 -2.800 1.00 0.00 C ATOM 114 CD PRO A 11 -1.387 18.777 -3.309 1.00 0.00 C ATOM 0 HA PRO A 11 -2.012 16.157 -5.146 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -0.068 15.730 -3.207 1.00 0.00 H new ATOM 0 HB3 PRO A 11 0.249 16.778 -4.576 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -0.563 17.519 -1.772 1.00 0.00 H new ATOM 0 HG3 PRO A 11 0.640 18.267 -2.803 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -1.844 19.342 -2.497 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.956 19.503 -3.999 1.00 0.00 H new ATOM 122 N VAL A 12 -2.792 15.919 -1.974 1.00 0.00 N ATOM 123 CA VAL A 12 -3.487 15.067 -1.017 1.00 0.00 C ATOM 124 C VAL A 12 -4.881 14.704 -1.515 1.00 0.00 C ATOM 125 O VAL A 12 -5.241 13.529 -1.580 1.00 0.00 O ATOM 126 CB VAL A 12 -3.607 15.750 0.358 1.00 0.00 C ATOM 127 CG1 VAL A 12 -4.279 14.821 1.359 1.00 0.00 C ATOM 128 CG2 VAL A 12 -2.238 16.184 0.858 1.00 0.00 C ATOM 0 H VAL A 12 -2.467 16.806 -1.590 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.894 14.158 -0.913 1.00 0.00 H new ATOM 0 HB VAL A 12 -4.228 16.639 0.250 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.355 15.321 2.325 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -5.277 14.564 1.004 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.687 13.912 1.466 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.342 16.665 1.831 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.591 15.312 0.951 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.798 16.887 0.151 1.00 0.00 H new ATOM 138 N GLN A 13 -5.661 15.721 -1.868 1.00 0.00 N ATOM 139 CA GLN A 13 -7.017 15.509 -2.360 1.00 0.00 C ATOM 140 C GLN A 13 -7.020 14.556 -3.551 1.00 0.00 C ATOM 141 O GLN A 13 -7.844 13.644 -3.626 1.00 0.00 O ATOM 142 CB GLN A 13 -7.653 16.842 -2.757 1.00 0.00 C ATOM 143 CG GLN A 13 -8.998 16.692 -3.450 1.00 0.00 C ATOM 144 CD GLN A 13 -9.836 17.953 -3.375 1.00 0.00 C ATOM 145 OE1 GLN A 13 -9.308 19.065 -3.384 1.00 0.00 O ATOM 146 NE2 GLN A 13 -11.151 17.786 -3.301 1.00 0.00 N ATOM 0 H GLN A 13 -5.377 16.700 -1.822 1.00 0.00 H new ATOM 0 HA GLN A 13 -7.602 15.061 -1.557 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.780 17.455 -1.864 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -6.971 17.378 -3.417 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -8.837 16.429 -4.495 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -9.547 15.868 -2.995 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -11.546 16.846 -3.296 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -11.766 18.598 -3.249 1.00 0.00 H new ATOM 155 N GLU A 14 -6.094 14.773 -4.480 1.00 0.00 N ATOM 156 CA GLU A 14 -5.992 13.934 -5.668 1.00 0.00 C ATOM 157 C GLU A 14 -5.929 12.458 -5.287 1.00 0.00 C ATOM 158 O GLU A 14 -6.829 11.684 -5.611 1.00 0.00 O ATOM 159 CB GLU A 14 -4.755 14.315 -6.484 1.00 0.00 C ATOM 160 CG GLU A 14 -5.015 15.406 -7.509 1.00 0.00 C ATOM 161 CD GLU A 14 -6.076 15.015 -8.520 1.00 0.00 C ATOM 162 OE1 GLU A 14 -7.275 15.189 -8.218 1.00 0.00 O ATOM 163 OE2 GLU A 14 -5.708 14.536 -9.613 1.00 0.00 O ATOM 0 H GLU A 14 -5.404 15.523 -4.433 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.883 14.097 -6.275 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.970 14.646 -5.805 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.381 13.429 -6.996 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.326 16.316 -6.995 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.087 15.637 -8.032 1.00 0.00 H new ATOM 170 N GLU A 15 -4.858 12.076 -4.597 1.00 0.00 N ATOM 171 CA GLU A 15 -4.677 10.692 -4.174 1.00 0.00 C ATOM 172 C GLU A 15 -6.008 10.071 -3.759 1.00 0.00 C ATOM 173 O GLU A 15 -6.434 9.059 -4.317 1.00 0.00 O ATOM 174 CB GLU A 15 -3.683 10.617 -3.012 1.00 0.00 C ATOM 175 CG GLU A 15 -3.058 9.244 -2.834 1.00 0.00 C ATOM 176 CD GLU A 15 -2.632 8.622 -4.150 1.00 0.00 C ATOM 177 OE1 GLU A 15 -1.574 9.020 -4.680 1.00 0.00 O ATOM 178 OE2 GLU A 15 -3.358 7.736 -4.649 1.00 0.00 O ATOM 0 H GLU A 15 -4.104 12.705 -4.320 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.281 10.129 -5.019 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.892 11.349 -3.174 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.193 10.897 -2.090 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.192 9.326 -2.178 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.772 8.585 -2.339 1.00 0.00 H new ATOM 185 N LEU A 16 -6.660 10.684 -2.778 1.00 0.00 N ATOM 186 CA LEU A 16 -7.943 10.192 -2.287 1.00 0.00 C ATOM 187 C LEU A 16 -8.932 10.013 -3.434 1.00 0.00 C ATOM 188 O LEU A 16 -9.445 8.917 -3.660 1.00 0.00 O ATOM 189 CB LEU A 16 -8.518 11.157 -1.249 1.00 0.00 C ATOM 190 CG LEU A 16 -7.681 11.359 0.015 1.00 0.00 C ATOM 191 CD1 LEU A 16 -8.254 12.488 0.859 1.00 0.00 C ATOM 192 CD2 LEU A 16 -7.612 10.070 0.821 1.00 0.00 C ATOM 0 H LEU A 16 -6.322 11.523 -2.306 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.777 9.221 -1.819 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -8.662 12.127 -1.724 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -9.504 10.797 -0.954 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.669 11.632 -0.282 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -7.646 12.618 1.754 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.251 13.412 0.281 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.277 12.244 1.147 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.012 10.233 1.717 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -8.619 9.766 1.108 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.155 9.287 0.216 1.00 0.00 H new ATOM 204 N SER A 17 -9.193 11.097 -4.158 1.00 0.00 N ATOM 205 CA SER A 17 -10.122 11.060 -5.282 1.00 0.00 C ATOM 206 C SER A 17 -9.759 9.938 -6.250 1.00 0.00 C ATOM 207 O SER A 17 -10.527 8.995 -6.441 1.00 0.00 O ATOM 208 CB SER A 17 -10.122 12.403 -6.015 1.00 0.00 C ATOM 209 OG SER A 17 -10.813 12.310 -7.249 1.00 0.00 O ATOM 0 H SER A 17 -8.775 12.011 -3.987 1.00 0.00 H new ATOM 0 HA SER A 17 -11.121 10.868 -4.890 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.590 13.163 -5.389 1.00 0.00 H new ATOM 0 HB3 SER A 17 -9.096 12.724 -6.193 1.00 0.00 H new ATOM 0 HG SER A 17 -10.800 13.181 -7.697 1.00 0.00 H new ATOM 215 N VAL A 18 -8.583 10.049 -6.860 1.00 0.00 N ATOM 216 CA VAL A 18 -8.116 9.045 -7.808 1.00 0.00 C ATOM 217 C VAL A 18 -8.361 7.635 -7.281 1.00 0.00 C ATOM 218 O VAL A 18 -8.828 6.760 -8.010 1.00 0.00 O ATOM 219 CB VAL A 18 -6.616 9.214 -8.111 1.00 0.00 C ATOM 220 CG1 VAL A 18 -6.129 8.107 -9.034 1.00 0.00 C ATOM 221 CG2 VAL A 18 -6.347 10.582 -8.719 1.00 0.00 C ATOM 0 H VAL A 18 -7.937 10.824 -6.714 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.683 9.190 -8.727 1.00 0.00 H new ATOM 0 HB VAL A 18 -6.064 9.142 -7.174 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.067 8.243 -9.237 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.286 7.140 -8.557 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -6.685 8.144 -9.971 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -5.282 10.685 -8.927 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -6.909 10.685 -9.647 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -6.657 11.358 -8.019 1.00 0.00 H new ATOM 231 N LEU A 19 -8.043 7.422 -6.009 1.00 0.00 N ATOM 232 CA LEU A 19 -8.229 6.118 -5.382 1.00 0.00 C ATOM 233 C LEU A 19 -9.704 5.731 -5.357 1.00 0.00 C ATOM 234 O LEU A 19 -10.113 4.763 -5.997 1.00 0.00 O ATOM 235 CB LEU A 19 -7.669 6.130 -3.958 1.00 0.00 C ATOM 236 CG LEU A 19 -6.148 6.036 -3.835 1.00 0.00 C ATOM 237 CD1 LEU A 19 -5.729 6.057 -2.373 1.00 0.00 C ATOM 238 CD2 LEU A 19 -5.634 4.778 -4.520 1.00 0.00 C ATOM 0 H LEU A 19 -7.655 8.135 -5.392 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.688 5.378 -5.972 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -7.997 7.046 -3.467 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -8.110 5.299 -3.408 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.708 6.901 -4.331 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.643 5.989 -2.305 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.064 6.986 -1.912 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.179 5.211 -1.853 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.550 4.728 -4.422 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.081 3.901 -4.053 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.902 4.803 -5.576 1.00 0.00 H new ATOM 250 N ALA A 20 -10.499 6.496 -4.615 1.00 0.00 N ATOM 251 CA ALA A 20 -11.929 6.235 -4.510 1.00 0.00 C ATOM 252 C ALA A 20 -12.503 5.775 -5.846 1.00 0.00 C ATOM 253 O ALA A 20 -13.324 4.861 -5.897 1.00 0.00 O ATOM 254 CB ALA A 20 -12.657 7.478 -4.020 1.00 0.00 C ATOM 0 H ALA A 20 -10.177 7.301 -4.078 1.00 0.00 H new ATOM 0 HA ALA A 20 -12.075 5.433 -3.787 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -13.724 7.269 -3.946 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -12.274 7.761 -3.040 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -12.495 8.295 -4.723 1.00 0.00 H new ATOM 260 N ALA A 21 -12.065 6.416 -6.924 1.00 0.00 N ATOM 261 CA ALA A 21 -12.534 6.072 -8.261 1.00 0.00 C ATOM 262 C ALA A 21 -12.295 4.596 -8.563 1.00 0.00 C ATOM 263 O ALA A 21 -13.210 3.881 -8.973 1.00 0.00 O ATOM 264 CB ALA A 21 -11.849 6.944 -9.302 1.00 0.00 C ATOM 0 H ALA A 21 -11.386 7.177 -6.898 1.00 0.00 H new ATOM 0 HA ALA A 21 -13.608 6.255 -8.301 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -12.209 6.676 -10.295 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -12.075 7.992 -9.105 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.771 6.790 -9.253 1.00 0.00 H new ATOM 270 N ILE A 22 -11.062 4.148 -8.359 1.00 0.00 N ATOM 271 CA ILE A 22 -10.704 2.757 -8.610 1.00 0.00 C ATOM 272 C ILE A 22 -11.365 1.828 -7.597 1.00 0.00 C ATOM 273 O ILE A 22 -11.798 0.727 -7.939 1.00 0.00 O ATOM 274 CB ILE A 22 -9.178 2.551 -8.559 1.00 0.00 C ATOM 275 CG1 ILE A 22 -8.484 3.462 -9.573 1.00 0.00 C ATOM 276 CG2 ILE A 22 -8.832 1.093 -8.825 1.00 0.00 C ATOM 277 CD1 ILE A 22 -7.067 3.826 -9.188 1.00 0.00 C ATOM 0 H ILE A 22 -10.294 4.727 -8.021 1.00 0.00 H new ATOM 0 HA ILE A 22 -11.062 2.514 -9.610 1.00 0.00 H new ATOM 0 HB ILE A 22 -8.824 2.813 -7.562 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -8.472 2.968 -10.545 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -9.067 4.376 -9.687 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.751 0.963 -8.786 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -9.301 0.464 -8.068 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -9.196 0.807 -9.812 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.637 4.473 -9.952 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.073 4.348 -8.231 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.469 2.919 -9.102 1.00 0.00 H new ATOM 289 N PHE A 23 -11.442 2.280 -6.350 1.00 0.00 N ATOM 290 CA PHE A 23 -12.052 1.490 -5.287 1.00 0.00 C ATOM 291 C PHE A 23 -13.567 1.676 -5.272 1.00 0.00 C ATOM 292 O PHE A 23 -14.268 1.079 -4.454 1.00 0.00 O ATOM 293 CB PHE A 23 -11.465 1.882 -3.930 1.00 0.00 C ATOM 294 CG PHE A 23 -9.989 1.626 -3.818 1.00 0.00 C ATOM 295 CD1 PHE A 23 -9.465 0.379 -4.119 1.00 0.00 C ATOM 296 CD2 PHE A 23 -9.127 2.632 -3.413 1.00 0.00 C ATOM 297 CE1 PHE A 23 -8.107 0.140 -4.018 1.00 0.00 C ATOM 298 CE2 PHE A 23 -7.768 2.399 -3.310 1.00 0.00 C ATOM 299 CZ PHE A 23 -7.258 1.151 -3.612 1.00 0.00 C ATOM 0 H PHE A 23 -11.090 3.189 -6.051 1.00 0.00 H new ATOM 0 HA PHE A 23 -11.835 0.439 -5.479 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -11.656 2.940 -3.752 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -11.982 1.329 -3.146 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -10.125 -0.415 -4.436 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -9.521 3.609 -3.175 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -7.711 -0.836 -4.256 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -7.106 3.192 -2.994 1.00 0.00 H new ATOM 0 HZ PHE A 23 -6.197 0.966 -3.531 1.00 0.00 H new ATOM 309 N CYS A 24 -14.063 2.508 -6.180 1.00 0.00 N ATOM 310 CA CYS A 24 -15.495 2.775 -6.271 1.00 0.00 C ATOM 311 C CYS A 24 -16.303 1.520 -5.960 1.00 0.00 C ATOM 312 O CYS A 24 -17.416 1.599 -5.440 1.00 0.00 O ATOM 313 CB CYS A 24 -15.851 3.292 -7.665 1.00 0.00 C ATOM 314 SG CYS A 24 -15.463 2.138 -9.002 1.00 0.00 S ATOM 0 H CYS A 24 -13.496 3.010 -6.864 1.00 0.00 H new ATOM 0 HA CYS A 24 -15.744 3.538 -5.534 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -16.916 3.521 -7.695 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -15.319 4.227 -7.841 1.00 0.00 H new ATOM 0 HG CYS A 24 -14.285 2.409 -9.481 1.00 0.00 H new ATOM 320 N ARG A 25 -15.735 0.362 -6.282 1.00 0.00 N ATOM 321 CA ARG A 25 -16.404 -0.911 -6.040 1.00 0.00 C ATOM 322 C ARG A 25 -17.124 -0.899 -4.694 1.00 0.00 C ATOM 323 O ARG A 25 -16.747 -0.182 -3.767 1.00 0.00 O ATOM 324 CB ARG A 25 -15.394 -2.058 -6.080 1.00 0.00 C ATOM 325 CG ARG A 25 -14.916 -2.400 -7.482 1.00 0.00 C ATOM 326 CD ARG A 25 -15.961 -3.198 -8.247 1.00 0.00 C ATOM 327 NE ARG A 25 -17.072 -2.361 -8.690 1.00 0.00 N ATOM 328 CZ ARG A 25 -16.959 -1.423 -9.623 1.00 0.00 C ATOM 329 NH1 ARG A 25 -15.790 -1.203 -10.208 1.00 0.00 N ATOM 330 NH2 ARG A 25 -18.017 -0.702 -9.973 1.00 0.00 N ATOM 0 H ARG A 25 -14.813 0.279 -6.711 1.00 0.00 H new ATOM 0 HA ARG A 25 -17.143 -1.060 -6.827 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -14.533 -1.794 -5.466 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -15.845 -2.944 -5.633 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -14.689 -1.482 -8.024 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -13.991 -2.973 -7.423 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -15.495 -3.670 -9.112 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -16.341 -3.999 -7.613 1.00 0.00 H new ATOM 0 HE ARG A 25 -17.985 -2.505 -8.259 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -14.975 -1.755 -9.942 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -15.706 -0.482 -10.924 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -18.918 -0.868 -9.525 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -17.929 0.018 -10.690 1.00 0.00 H new ATOM 344 N PRO A 26 -18.185 -1.712 -4.583 1.00 0.00 N ATOM 345 CA PRO A 26 -18.979 -1.813 -3.355 1.00 0.00 C ATOM 346 C PRO A 26 -18.215 -2.495 -2.225 1.00 0.00 C ATOM 347 O PRO A 26 -17.720 -3.612 -2.382 1.00 0.00 O ATOM 348 CB PRO A 26 -20.179 -2.664 -3.778 1.00 0.00 C ATOM 349 CG PRO A 26 -19.687 -3.466 -4.933 1.00 0.00 C ATOM 350 CD PRO A 26 -18.690 -2.595 -5.647 1.00 0.00 C ATOM 0 HA PRO A 26 -19.250 -0.833 -2.963 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -20.515 -3.307 -2.964 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -21.026 -2.040 -4.062 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -19.224 -4.393 -4.595 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -20.508 -3.742 -5.594 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -17.889 -3.184 -6.094 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -19.156 -2.028 -6.453 1.00 0.00 H new ATOM 358 N HIS A 27 -18.122 -1.816 -1.086 1.00 0.00 N ATOM 359 CA HIS A 27 -17.418 -2.358 0.072 1.00 0.00 C ATOM 360 C HIS A 27 -15.949 -2.607 -0.254 1.00 0.00 C ATOM 361 O HIS A 27 -15.378 -3.620 0.148 1.00 0.00 O ATOM 362 CB HIS A 27 -18.078 -3.658 0.533 1.00 0.00 C ATOM 363 CG HIS A 27 -19.423 -3.457 1.160 1.00 0.00 C ATOM 364 ND1 HIS A 27 -19.878 -4.210 2.222 1.00 0.00 N ATOM 365 CD2 HIS A 27 -20.413 -2.581 0.870 1.00 0.00 C ATOM 366 CE1 HIS A 27 -21.091 -3.806 2.557 1.00 0.00 C ATOM 367 NE2 HIS A 27 -21.439 -2.819 1.752 1.00 0.00 N ATOM 0 H HIS A 27 -18.525 -0.890 -0.940 1.00 0.00 H new ATOM 0 HA HIS A 27 -17.474 -1.625 0.877 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -18.181 -4.327 -0.322 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -17.423 -4.154 1.249 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -20.399 -1.834 0.090 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -21.695 -4.214 3.354 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -22.325 -2.315 1.780 1.00 0.00 H new ATOM 376 N GLU A 28 -15.343 -1.676 -0.984 1.00 0.00 N ATOM 377 CA GLU A 28 -13.941 -1.796 -1.364 1.00 0.00 C ATOM 378 C GLU A 28 -13.153 -0.560 -0.938 1.00 0.00 C ATOM 379 O GLU A 28 -11.925 -0.536 -1.018 1.00 0.00 O ATOM 380 CB GLU A 28 -13.814 -1.999 -2.875 1.00 0.00 C ATOM 381 CG GLU A 28 -13.837 -3.458 -3.298 1.00 0.00 C ATOM 382 CD GLU A 28 -12.669 -4.246 -2.738 1.00 0.00 C ATOM 383 OE1 GLU A 28 -12.734 -4.641 -1.555 1.00 0.00 O ATOM 384 OE2 GLU A 28 -11.691 -4.468 -3.482 1.00 0.00 O ATOM 0 H GLU A 28 -15.801 -0.831 -1.324 1.00 0.00 H new ATOM 0 HA GLU A 28 -13.526 -2.664 -0.852 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -14.628 -1.472 -3.373 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -12.884 -1.545 -3.217 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -14.770 -3.914 -2.967 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -13.822 -3.517 -4.386 1.00 0.00 H new ATOM 391 N TRP A 29 -13.869 0.462 -0.485 1.00 0.00 N ATOM 392 CA TRP A 29 -13.238 1.702 -0.046 1.00 0.00 C ATOM 393 C TRP A 29 -13.749 2.115 1.330 1.00 0.00 C ATOM 394 O TRP A 29 -14.955 2.218 1.548 1.00 0.00 O ATOM 395 CB TRP A 29 -13.502 2.818 -1.058 1.00 0.00 C ATOM 396 CG TRP A 29 -13.160 4.182 -0.540 1.00 0.00 C ATOM 397 CD1 TRP A 29 -14.034 5.134 -0.099 1.00 0.00 C ATOM 398 CD2 TRP A 29 -11.850 4.747 -0.412 1.00 0.00 C ATOM 399 NE1 TRP A 29 -13.347 6.257 0.296 1.00 0.00 N ATOM 400 CE2 TRP A 29 -12.006 6.044 0.115 1.00 0.00 C ATOM 401 CE3 TRP A 29 -10.562 4.282 -0.688 1.00 0.00 C ATOM 402 CZ2 TRP A 29 -10.921 6.879 0.368 1.00 0.00 C ATOM 403 CZ3 TRP A 29 -9.486 5.112 -0.437 1.00 0.00 C ATOM 404 CH2 TRP A 29 -9.670 6.398 0.088 1.00 0.00 C ATOM 0 H TRP A 29 -14.886 0.457 -0.412 1.00 0.00 H new ATOM 0 HA TRP A 29 -12.164 1.530 0.023 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -12.923 2.624 -1.961 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -14.554 2.799 -1.343 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -15.108 5.021 -0.066 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -13.767 7.110 0.664 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -10.410 3.291 -1.090 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -11.061 7.871 0.771 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -8.486 4.763 -0.649 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -8.809 7.022 0.275 1.00 0.00 H new ATOM 415 N GLU A 30 -12.822 2.351 2.254 1.00 0.00 N ATOM 416 CA GLU A 30 -13.181 2.752 3.609 1.00 0.00 C ATOM 417 C GLU A 30 -12.160 3.738 4.172 1.00 0.00 C ATOM 418 O GLU A 30 -10.958 3.597 3.951 1.00 0.00 O ATOM 419 CB GLU A 30 -13.278 1.526 4.519 1.00 0.00 C ATOM 420 CG GLU A 30 -13.602 1.865 5.965 1.00 0.00 C ATOM 421 CD GLU A 30 -12.452 2.554 6.674 1.00 0.00 C ATOM 422 OE1 GLU A 30 -11.296 2.389 6.230 1.00 0.00 O ATOM 423 OE2 GLU A 30 -12.708 3.259 7.672 1.00 0.00 O ATOM 0 H GLU A 30 -11.819 2.271 2.089 1.00 0.00 H new ATOM 0 HA GLU A 30 -14.153 3.244 3.570 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.045 0.856 4.131 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -12.334 0.983 4.485 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -14.481 2.509 5.995 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -13.858 0.951 6.500 1.00 0.00 H new ATOM 430 N VAL A 31 -12.650 4.735 4.902 1.00 0.00 N ATOM 431 CA VAL A 31 -11.782 5.744 5.497 1.00 0.00 C ATOM 432 C VAL A 31 -12.006 5.841 7.002 1.00 0.00 C ATOM 433 O VAL A 31 -12.928 6.516 7.462 1.00 0.00 O ATOM 434 CB VAL A 31 -12.015 7.129 4.865 1.00 0.00 C ATOM 435 CG1 VAL A 31 -11.138 8.176 5.534 1.00 0.00 C ATOM 436 CG2 VAL A 31 -11.753 7.081 3.367 1.00 0.00 C ATOM 0 H VAL A 31 -13.643 4.865 5.095 1.00 0.00 H new ATOM 0 HA VAL A 31 -10.755 5.433 5.303 1.00 0.00 H new ATOM 0 HB VAL A 31 -13.057 7.410 5.020 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -11.317 9.148 5.074 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -11.378 8.227 6.596 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -10.090 7.904 5.412 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -11.922 8.068 2.936 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -10.721 6.779 3.188 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -12.428 6.362 2.903 1.00 0.00 H new ATOM 446 N LEU A 32 -11.155 5.164 7.766 1.00 0.00 N ATOM 447 CA LEU A 32 -11.259 5.174 9.221 1.00 0.00 C ATOM 448 C LEU A 32 -11.717 6.538 9.725 1.00 0.00 C ATOM 449 O LEU A 32 -12.843 6.689 10.201 1.00 0.00 O ATOM 450 CB LEU A 32 -9.912 4.811 9.850 1.00 0.00 C ATOM 451 CG LEU A 32 -9.270 3.514 9.359 1.00 0.00 C ATOM 452 CD1 LEU A 32 -8.037 3.182 10.186 1.00 0.00 C ATOM 453 CD2 LEU A 32 -10.272 2.370 9.409 1.00 0.00 C ATOM 0 H LEU A 32 -10.386 4.602 7.402 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.002 4.432 9.513 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.216 5.629 9.667 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.045 4.741 10.930 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.961 3.654 8.323 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.593 2.255 9.822 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.311 3.991 10.098 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.322 3.062 11.231 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.797 1.455 9.056 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.613 2.229 10.435 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.125 2.605 8.772 1.00 0.00 H new ATOM 465 N SER A 33 -10.839 7.530 9.615 1.00 0.00 N ATOM 466 CA SER A 33 -11.153 8.882 10.061 1.00 0.00 C ATOM 467 C SER A 33 -10.327 9.912 9.297 1.00 0.00 C ATOM 468 O SER A 33 -9.430 9.559 8.530 1.00 0.00 O ATOM 469 CB SER A 33 -10.897 9.019 11.563 1.00 0.00 C ATOM 470 OG SER A 33 -11.687 8.103 12.301 1.00 0.00 O ATOM 0 H SER A 33 -9.904 7.423 9.221 1.00 0.00 H new ATOM 0 HA SER A 33 -12.208 9.068 9.861 1.00 0.00 H new ATOM 0 HB2 SER A 33 -9.842 8.845 11.772 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.121 10.037 11.882 1.00 0.00 H new ATOM 0 HG SER A 33 -11.504 8.210 13.258 1.00 0.00 H new ATOM 476 N ARG A 34 -10.635 11.187 9.512 1.00 0.00 N ATOM 477 CA ARG A 34 -9.923 12.269 8.843 1.00 0.00 C ATOM 478 C ARG A 34 -9.731 13.456 9.783 1.00 0.00 C ATOM 479 O ARG A 34 -10.590 13.747 10.615 1.00 0.00 O ATOM 480 CB ARG A 34 -10.684 12.713 7.593 1.00 0.00 C ATOM 481 CG ARG A 34 -11.092 11.562 6.688 1.00 0.00 C ATOM 482 CD ARG A 34 -12.442 10.990 7.089 1.00 0.00 C ATOM 483 NE ARG A 34 -13.536 11.912 6.795 1.00 0.00 N ATOM 484 CZ ARG A 34 -13.961 12.181 5.566 1.00 0.00 C ATOM 485 NH1 ARG A 34 -13.386 11.601 4.521 1.00 0.00 N ATOM 486 NH2 ARG A 34 -14.962 13.032 5.379 1.00 0.00 N ATOM 0 H ARG A 34 -11.373 11.496 10.145 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.941 11.897 8.549 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -11.577 13.260 7.896 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -10.063 13.407 7.027 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -11.134 11.907 5.655 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -10.336 10.778 6.731 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -12.608 10.050 6.562 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -12.437 10.762 8.155 1.00 0.00 H new ATOM 0 HE ARG A 34 -13.999 12.375 7.577 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -12.616 10.947 4.661 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -13.714 11.809 3.578 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -15.406 13.481 6.180 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -15.287 13.237 4.434 1.00 0.00 H new ATOM 500 N SER A 35 -8.598 14.137 9.644 1.00 0.00 N ATOM 501 CA SER A 35 -8.291 15.289 10.483 1.00 0.00 C ATOM 502 C SER A 35 -8.107 16.544 9.635 1.00 0.00 C ATOM 503 O SER A 35 -7.636 16.476 8.501 1.00 0.00 O ATOM 504 CB SER A 35 -7.028 15.026 11.305 1.00 0.00 C ATOM 505 OG SER A 35 -7.173 13.865 12.106 1.00 0.00 O ATOM 0 H SER A 35 -7.878 13.911 8.958 1.00 0.00 H new ATOM 0 HA SER A 35 -9.130 15.448 11.160 1.00 0.00 H new ATOM 0 HB2 SER A 35 -6.174 14.907 10.638 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.818 15.886 11.941 1.00 0.00 H new ATOM 0 HG SER A 35 -6.306 13.626 12.496 1.00 0.00 H new ATOM 511 N GLU A 36 -8.482 17.690 10.196 1.00 0.00 N ATOM 512 CA GLU A 36 -8.359 18.961 9.492 1.00 0.00 C ATOM 513 C GLU A 36 -6.920 19.198 9.044 1.00 0.00 C ATOM 514 O GLU A 36 -6.109 19.753 9.787 1.00 0.00 O ATOM 515 CB GLU A 36 -8.822 20.112 10.387 1.00 0.00 C ATOM 516 CG GLU A 36 -8.298 20.025 11.811 1.00 0.00 C ATOM 517 CD GLU A 36 -8.551 21.292 12.604 1.00 0.00 C ATOM 518 OE1 GLU A 36 -8.254 22.387 12.083 1.00 0.00 O ATOM 519 OE2 GLU A 36 -9.046 21.189 13.746 1.00 0.00 O ATOM 0 H GLU A 36 -8.873 17.764 11.135 1.00 0.00 H new ATOM 0 HA GLU A 36 -8.995 18.920 8.607 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.499 21.056 9.947 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -9.912 20.127 10.410 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -8.771 19.183 12.317 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.227 19.823 11.788 1.00 0.00 H new ATOM 526 N THR A 37 -6.608 18.772 7.824 1.00 0.00 N ATOM 527 CA THR A 37 -5.267 18.935 7.276 1.00 0.00 C ATOM 528 C THR A 37 -4.204 18.581 8.310 1.00 0.00 C ATOM 529 O THR A 37 -3.203 19.284 8.451 1.00 0.00 O ATOM 530 CB THR A 37 -5.032 20.377 6.788 1.00 0.00 C ATOM 531 OG1 THR A 37 -3.723 20.494 6.220 1.00 0.00 O ATOM 532 CG2 THR A 37 -5.184 21.368 7.932 1.00 0.00 C ATOM 0 H THR A 37 -7.267 18.311 7.196 1.00 0.00 H new ATOM 0 HA THR A 37 -5.186 18.254 6.428 1.00 0.00 H new ATOM 0 HB THR A 37 -5.780 20.606 6.029 1.00 0.00 H new ATOM 0 HG1 THR A 37 -3.058 20.170 6.862 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.013 22.379 7.563 1.00 0.00 H new ATOM 0 HG22 THR A 37 -6.191 21.297 8.343 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.457 21.139 8.711 1.00 0.00 H new ATOM 540 N ASP A 38 -4.428 17.487 9.030 1.00 0.00 N ATOM 541 CA ASP A 38 -3.487 17.039 10.051 1.00 0.00 C ATOM 542 C ASP A 38 -2.966 15.641 9.732 1.00 0.00 C ATOM 543 O ASP A 38 -1.812 15.319 10.010 1.00 0.00 O ATOM 544 CB ASP A 38 -4.153 17.047 11.427 1.00 0.00 C ATOM 545 CG ASP A 38 -3.599 15.976 12.345 1.00 0.00 C ATOM 546 OD1 ASP A 38 -2.364 15.794 12.367 1.00 0.00 O ATOM 547 OD2 ASP A 38 -4.400 15.317 13.042 1.00 0.00 O ATOM 0 H ASP A 38 -5.252 16.895 8.926 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.643 17.729 10.061 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.014 18.025 11.889 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.227 16.900 11.309 1.00 0.00 H new ATOM 552 N GLY A 39 -3.827 14.812 9.148 1.00 0.00 N ATOM 553 CA GLY A 39 -3.436 13.458 8.803 1.00 0.00 C ATOM 554 C GLY A 39 -4.627 12.570 8.502 1.00 0.00 C ATOM 555 O GLY A 39 -5.439 12.286 9.383 1.00 0.00 O ATOM 0 H GLY A 39 -4.788 15.055 8.908 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.777 13.483 7.935 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.864 13.028 9.625 1.00 0.00 H new ATOM 559 N THR A 40 -4.733 12.130 7.252 1.00 0.00 N ATOM 560 CA THR A 40 -5.835 11.271 6.835 1.00 0.00 C ATOM 561 C THR A 40 -5.482 9.799 7.013 1.00 0.00 C ATOM 562 O THR A 40 -4.486 9.319 6.471 1.00 0.00 O ATOM 563 CB THR A 40 -6.217 11.521 5.364 1.00 0.00 C ATOM 564 OG1 THR A 40 -6.319 12.928 5.117 1.00 0.00 O ATOM 565 CG2 THR A 40 -7.536 10.845 5.025 1.00 0.00 C ATOM 0 H THR A 40 -4.069 12.354 6.511 1.00 0.00 H new ATOM 0 HA THR A 40 -6.686 11.518 7.470 1.00 0.00 H new ATOM 0 HB THR A 40 -5.437 11.097 4.732 1.00 0.00 H new ATOM 0 HG1 THR A 40 -5.505 13.242 4.670 1.00 0.00 H new ATOM 0 HG21 THR A 40 -7.785 11.036 3.981 1.00 0.00 H new ATOM 0 HG22 THR A 40 -7.446 9.771 5.186 1.00 0.00 H new ATOM 0 HG23 THR A 40 -8.324 11.243 5.664 1.00 0.00 H new ATOM 573 N VAL A 41 -6.305 9.086 7.776 1.00 0.00 N ATOM 574 CA VAL A 41 -6.080 7.667 8.024 1.00 0.00 C ATOM 575 C VAL A 41 -7.192 6.820 7.415 1.00 0.00 C ATOM 576 O VAL A 41 -8.334 6.855 7.871 1.00 0.00 O ATOM 577 CB VAL A 41 -5.990 7.368 9.532 1.00 0.00 C ATOM 578 CG1 VAL A 41 -5.798 5.878 9.771 1.00 0.00 C ATOM 579 CG2 VAL A 41 -4.862 8.168 10.167 1.00 0.00 C ATOM 0 H VAL A 41 -7.133 9.468 8.233 1.00 0.00 H new ATOM 0 HA VAL A 41 -5.131 7.410 7.553 1.00 0.00 H new ATOM 0 HB VAL A 41 -6.927 7.669 10.001 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.737 5.686 10.842 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.642 5.331 9.352 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.877 5.548 9.290 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.813 7.945 11.233 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.916 7.900 9.696 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.048 9.233 10.028 1.00 0.00 H new ATOM 589 N PHE A 42 -6.849 6.059 6.381 1.00 0.00 N ATOM 590 CA PHE A 42 -7.818 5.202 5.708 1.00 0.00 C ATOM 591 C PHE A 42 -7.274 3.785 5.550 1.00 0.00 C ATOM 592 O PHE A 42 -6.068 3.584 5.403 1.00 0.00 O ATOM 593 CB PHE A 42 -8.175 5.779 4.336 1.00 0.00 C ATOM 594 CG PHE A 42 -7.009 5.842 3.391 1.00 0.00 C ATOM 595 CD1 PHE A 42 -6.662 4.742 2.624 1.00 0.00 C ATOM 596 CD2 PHE A 42 -6.261 7.002 3.269 1.00 0.00 C ATOM 597 CE1 PHE A 42 -5.590 4.797 1.754 1.00 0.00 C ATOM 598 CE2 PHE A 42 -5.188 7.064 2.400 1.00 0.00 C ATOM 599 CZ PHE A 42 -4.853 5.960 1.641 1.00 0.00 C ATOM 0 H PHE A 42 -5.907 6.018 5.991 1.00 0.00 H new ATOM 0 HA PHE A 42 -8.717 5.161 6.323 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -8.962 5.172 3.889 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -8.581 6.782 4.467 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -7.236 3.831 2.707 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -6.520 7.868 3.860 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -5.329 3.932 1.163 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -4.613 7.974 2.315 1.00 0.00 H new ATOM 0 HZ PHE A 42 -4.016 6.006 0.960 1.00 0.00 H new ATOM 609 N ARG A 43 -8.172 2.806 5.582 1.00 0.00 N ATOM 610 CA ARG A 43 -7.783 1.407 5.445 1.00 0.00 C ATOM 611 C ARG A 43 -8.674 0.692 4.433 1.00 0.00 C ATOM 612 O ARG A 43 -9.810 0.329 4.739 1.00 0.00 O ATOM 613 CB ARG A 43 -7.860 0.699 6.798 1.00 0.00 C ATOM 614 CG ARG A 43 -7.464 -0.767 6.742 1.00 0.00 C ATOM 615 CD ARG A 43 -8.129 -1.567 7.851 1.00 0.00 C ATOM 616 NE ARG A 43 -9.456 -2.040 7.464 1.00 0.00 N ATOM 617 CZ ARG A 43 -10.068 -3.067 8.043 1.00 0.00 C ATOM 618 NH1 ARG A 43 -9.476 -3.725 9.030 1.00 0.00 N ATOM 619 NH2 ARG A 43 -11.275 -3.437 7.635 1.00 0.00 N ATOM 0 H ARG A 43 -9.174 2.955 5.702 1.00 0.00 H new ATOM 0 HA ARG A 43 -6.755 1.375 5.085 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -7.211 1.215 7.506 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -8.877 0.777 7.182 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -7.743 -1.184 5.774 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -6.381 -0.856 6.827 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -7.501 -2.420 8.109 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -8.211 -0.949 8.745 1.00 0.00 H new ATOM 0 HE ARG A 43 -9.939 -1.555 6.708 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -8.548 -3.443 9.347 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -9.948 -4.513 9.473 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -11.734 -2.933 6.876 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -11.744 -4.226 8.080 1.00 0.00 H new ATOM 633 N ILE A 44 -8.151 0.494 3.228 1.00 0.00 N ATOM 634 CA ILE A 44 -8.899 -0.178 2.172 1.00 0.00 C ATOM 635 C ILE A 44 -8.426 -1.617 1.994 1.00 0.00 C ATOM 636 O ILE A 44 -7.265 -1.937 2.251 1.00 0.00 O ATOM 637 CB ILE A 44 -8.767 0.564 0.829 1.00 0.00 C ATOM 638 CG1 ILE A 44 -7.303 0.601 0.384 1.00 0.00 C ATOM 639 CG2 ILE A 44 -9.326 1.974 0.946 1.00 0.00 C ATOM 640 CD1 ILE A 44 -6.789 -0.733 -0.112 1.00 0.00 C ATOM 0 H ILE A 44 -7.213 0.789 2.958 1.00 0.00 H new ATOM 0 HA ILE A 44 -9.946 -0.177 2.477 1.00 0.00 H new ATOM 0 HB ILE A 44 -9.343 0.027 0.076 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -7.191 1.342 -0.408 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -6.686 0.931 1.219 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -9.226 2.486 -0.011 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -10.379 1.926 1.223 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -8.774 2.522 1.710 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -5.745 -0.633 -0.411 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -6.869 -1.473 0.685 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.382 -1.056 -0.968 1.00 0.00 H new ATOM 652 N HIS A 45 -9.333 -2.481 1.550 1.00 0.00 N ATOM 653 CA HIS A 45 -9.009 -3.887 1.335 1.00 0.00 C ATOM 654 C HIS A 45 -8.574 -4.129 -0.107 1.00 0.00 C ATOM 655 O HIS A 45 -9.187 -3.620 -1.046 1.00 0.00 O ATOM 656 CB HIS A 45 -10.212 -4.767 1.672 1.00 0.00 C ATOM 657 CG HIS A 45 -9.837 -6.130 2.167 1.00 0.00 C ATOM 658 ND1 HIS A 45 -9.805 -7.244 1.355 1.00 0.00 N ATOM 659 CD2 HIS A 45 -9.476 -6.555 3.401 1.00 0.00 C ATOM 660 CE1 HIS A 45 -9.442 -8.295 2.068 1.00 0.00 C ATOM 661 NE2 HIS A 45 -9.236 -7.904 3.312 1.00 0.00 N ATOM 0 H HIS A 45 -10.298 -2.232 1.332 1.00 0.00 H new ATOM 0 HA HIS A 45 -8.182 -4.149 1.995 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -10.816 -4.268 2.430 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -10.836 -4.871 0.784 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -9.392 -5.946 4.289 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -9.332 -9.303 1.696 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -8.946 -8.506 4.082 1.00 0.00 H new ATOM 670 N THR A 46 -7.510 -4.909 -0.277 1.00 0.00 N ATOM 671 CA THR A 46 -6.992 -5.217 -1.603 1.00 0.00 C ATOM 672 C THR A 46 -6.522 -6.665 -1.688 1.00 0.00 C ATOM 673 O THR A 46 -6.066 -7.239 -0.699 1.00 0.00 O ATOM 674 CB THR A 46 -5.823 -4.287 -1.980 1.00 0.00 C ATOM 675 OG1 THR A 46 -5.484 -4.460 -3.360 1.00 0.00 O ATOM 676 CG2 THR A 46 -4.605 -4.571 -1.114 1.00 0.00 C ATOM 0 H THR A 46 -6.991 -5.339 0.489 1.00 0.00 H new ATOM 0 HA THR A 46 -7.811 -5.062 -2.305 1.00 0.00 H new ATOM 0 HB THR A 46 -6.138 -3.257 -1.810 1.00 0.00 H new ATOM 0 HG1 THR A 46 -4.741 -3.864 -3.592 1.00 0.00 H new ATOM 0 HG21 THR A 46 -3.792 -3.902 -1.398 1.00 0.00 H new ATOM 0 HG22 THR A 46 -4.858 -4.409 -0.066 1.00 0.00 H new ATOM 0 HG23 THR A 46 -4.291 -5.605 -1.256 1.00 0.00 H new ATOM 684 N LYS A 47 -6.635 -7.250 -2.875 1.00 0.00 N ATOM 685 CA LYS A 47 -6.220 -8.631 -3.090 1.00 0.00 C ATOM 686 C LYS A 47 -5.083 -8.706 -4.104 1.00 0.00 C ATOM 687 O LYS A 47 -5.150 -8.098 -5.172 1.00 0.00 O ATOM 688 CB LYS A 47 -7.404 -9.472 -3.573 1.00 0.00 C ATOM 689 CG LYS A 47 -8.629 -9.366 -2.681 1.00 0.00 C ATOM 690 CD LYS A 47 -9.579 -10.532 -2.897 1.00 0.00 C ATOM 691 CE LYS A 47 -10.560 -10.251 -4.025 1.00 0.00 C ATOM 692 NZ LYS A 47 -11.156 -11.503 -4.567 1.00 0.00 N ATOM 0 H LYS A 47 -7.011 -6.789 -3.704 1.00 0.00 H new ATOM 0 HA LYS A 47 -5.863 -9.029 -2.140 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.672 -9.161 -4.583 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.097 -10.516 -3.632 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -8.318 -9.337 -1.637 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -9.149 -8.430 -2.885 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -9.007 -11.431 -3.127 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -10.128 -10.730 -1.977 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -11.354 -9.599 -3.662 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -10.049 -9.716 -4.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -11.819 -11.269 -5.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -10.401 -12.115 -4.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -11.665 -12.001 -3.809 1.00 0.00 H new ATOM 706 N ALA A 48 -4.041 -9.457 -3.763 1.00 0.00 N ATOM 707 CA ALA A 48 -2.891 -9.613 -4.646 1.00 0.00 C ATOM 708 C ALA A 48 -3.002 -10.892 -5.470 1.00 0.00 C ATOM 709 O ALA A 48 -3.767 -11.794 -5.132 1.00 0.00 O ATOM 710 CB ALA A 48 -1.602 -9.614 -3.838 1.00 0.00 C ATOM 0 H ALA A 48 -3.969 -9.967 -2.882 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.875 -8.768 -5.334 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.752 -9.731 -4.510 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.511 -8.672 -3.298 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.619 -10.440 -3.127 1.00 0.00 H new ATOM 716 N GLU A 49 -2.233 -10.962 -6.552 1.00 0.00 N ATOM 717 CA GLU A 49 -2.247 -12.130 -7.424 1.00 0.00 C ATOM 718 C GLU A 49 -1.863 -13.389 -6.653 1.00 0.00 C ATOM 719 O GLU A 49 -2.015 -14.505 -7.149 1.00 0.00 O ATOM 720 CB GLU A 49 -1.290 -11.927 -8.601 1.00 0.00 C ATOM 721 CG GLU A 49 -1.699 -12.680 -9.855 1.00 0.00 C ATOM 722 CD GLU A 49 -0.549 -12.866 -10.826 1.00 0.00 C ATOM 723 OE1 GLU A 49 -0.198 -11.893 -11.525 1.00 0.00 O ATOM 724 OE2 GLU A 49 0.000 -13.986 -10.885 1.00 0.00 O ATOM 0 H GLU A 49 -1.593 -10.224 -6.845 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.260 -12.254 -7.806 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.230 -10.863 -8.830 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.291 -12.247 -8.305 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.095 -13.656 -9.575 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.505 -12.140 -10.352 1.00 0.00 H new ATOM 731 N GLY A 50 -1.364 -13.202 -5.435 1.00 0.00 N ATOM 732 CA GLY A 50 -0.965 -14.330 -4.615 1.00 0.00 C ATOM 733 C GLY A 50 0.312 -14.982 -5.107 1.00 0.00 C ATOM 734 O GLY A 50 1.138 -14.337 -5.752 1.00 0.00 O ATOM 0 H GLY A 50 -1.229 -12.289 -5.002 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -0.826 -13.996 -3.587 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.766 -15.069 -4.605 1.00 0.00 H new ATOM 738 N PHE A 51 0.475 -16.265 -4.801 1.00 0.00 N ATOM 739 CA PHE A 51 1.662 -17.005 -5.214 1.00 0.00 C ATOM 740 C PHE A 51 1.310 -18.060 -6.258 1.00 0.00 C ATOM 741 O PHE A 51 2.074 -18.305 -7.191 1.00 0.00 O ATOM 742 CB PHE A 51 2.323 -17.669 -4.004 1.00 0.00 C ATOM 743 CG PHE A 51 2.210 -16.862 -2.742 1.00 0.00 C ATOM 744 CD1 PHE A 51 2.551 -15.519 -2.730 1.00 0.00 C ATOM 745 CD2 PHE A 51 1.763 -17.446 -1.568 1.00 0.00 C ATOM 746 CE1 PHE A 51 2.449 -14.775 -1.570 1.00 0.00 C ATOM 747 CE2 PHE A 51 1.658 -16.707 -0.405 1.00 0.00 C ATOM 748 CZ PHE A 51 2.001 -15.369 -0.406 1.00 0.00 C ATOM 0 H PHE A 51 -0.200 -16.814 -4.268 1.00 0.00 H new ATOM 0 HA PHE A 51 2.362 -16.298 -5.659 1.00 0.00 H new ATOM 0 HB2 PHE A 51 1.869 -18.647 -3.843 1.00 0.00 H new ATOM 0 HB3 PHE A 51 3.377 -17.840 -4.224 1.00 0.00 H new ATOM 0 HD1 PHE A 51 2.900 -15.049 -3.637 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.493 -18.492 -1.562 1.00 0.00 H new ATOM 0 HE1 PHE A 51 2.719 -13.729 -1.573 1.00 0.00 H new ATOM 0 HE2 PHE A 51 1.308 -17.175 0.503 1.00 0.00 H new ATOM 0 HZ PHE A 51 1.919 -14.789 0.501 1.00 0.00 H new ATOM 758 N MET A 52 0.147 -18.681 -6.093 1.00 0.00 N ATOM 759 CA MET A 52 -0.308 -19.710 -7.021 1.00 0.00 C ATOM 760 C MET A 52 -1.684 -19.366 -7.583 1.00 0.00 C ATOM 761 O MET A 52 -2.690 -19.959 -7.194 1.00 0.00 O ATOM 762 CB MET A 52 -0.355 -21.071 -6.324 1.00 0.00 C ATOM 763 CG MET A 52 -0.929 -22.179 -7.192 1.00 0.00 C ATOM 764 SD MET A 52 -0.286 -23.807 -6.756 1.00 0.00 S ATOM 765 CE MET A 52 -1.183 -24.129 -5.239 1.00 0.00 C ATOM 0 H MET A 52 -0.497 -18.490 -5.326 1.00 0.00 H new ATOM 0 HA MET A 52 0.401 -19.757 -7.848 1.00 0.00 H new ATOM 0 HB2 MET A 52 0.653 -21.347 -6.016 1.00 0.00 H new ATOM 0 HB3 MET A 52 -0.953 -20.985 -5.417 1.00 0.00 H new ATOM 0 HG2 MET A 52 -2.015 -22.184 -7.097 1.00 0.00 H new ATOM 0 HG3 MET A 52 -0.702 -21.971 -8.238 1.00 0.00 H new ATOM 0 HE1 MET A 52 -0.894 -25.103 -4.845 1.00 0.00 H new ATOM 0 HE2 MET A 52 -0.948 -23.357 -4.506 1.00 0.00 H new ATOM 0 HE3 MET A 52 -2.254 -24.123 -5.441 1.00 0.00 H new ATOM 775 N ASP A 53 -1.720 -18.404 -8.499 1.00 0.00 N ATOM 776 CA ASP A 53 -2.972 -17.981 -9.115 1.00 0.00 C ATOM 777 C ASP A 53 -4.115 -18.019 -8.105 1.00 0.00 C ATOM 778 O ASP A 53 -5.204 -18.507 -8.403 1.00 0.00 O ATOM 779 CB ASP A 53 -3.304 -18.874 -10.312 1.00 0.00 C ATOM 780 CG ASP A 53 -4.107 -18.147 -11.372 1.00 0.00 C ATOM 781 OD1 ASP A 53 -4.758 -17.136 -11.034 1.00 0.00 O ATOM 782 OD2 ASP A 53 -4.084 -18.588 -12.540 1.00 0.00 O ATOM 0 H ASP A 53 -0.896 -17.903 -8.831 1.00 0.00 H new ATOM 0 HA ASP A 53 -2.849 -16.954 -9.460 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.379 -19.245 -10.752 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.865 -19.743 -9.968 1.00 0.00 H new ATOM 787 N ALA A 54 -3.857 -17.502 -6.908 1.00 0.00 N ATOM 788 CA ALA A 54 -4.863 -17.476 -5.854 1.00 0.00 C ATOM 789 C ALA A 54 -4.844 -16.145 -5.109 1.00 0.00 C ATOM 790 O ALA A 54 -3.882 -15.829 -4.408 1.00 0.00 O ATOM 791 CB ALA A 54 -4.643 -18.628 -4.885 1.00 0.00 C ATOM 0 H ALA A 54 -2.959 -17.095 -6.644 1.00 0.00 H new ATOM 0 HA ALA A 54 -5.843 -17.589 -6.319 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -5.402 -18.596 -4.103 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -4.715 -19.574 -5.422 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.654 -18.541 -4.435 1.00 0.00 H new ATOM 797 N ASP A 55 -5.911 -15.369 -5.265 1.00 0.00 N ATOM 798 CA ASP A 55 -6.016 -14.072 -4.607 1.00 0.00 C ATOM 799 C ASP A 55 -5.855 -14.215 -3.097 1.00 0.00 C ATOM 800 O ASP A 55 -6.273 -15.213 -2.510 1.00 0.00 O ATOM 801 CB ASP A 55 -7.361 -13.420 -4.930 1.00 0.00 C ATOM 802 CG ASP A 55 -7.877 -13.806 -6.302 1.00 0.00 C ATOM 803 OD1 ASP A 55 -7.047 -14.109 -7.184 1.00 0.00 O ATOM 804 OD2 ASP A 55 -9.112 -13.804 -6.494 1.00 0.00 O ATOM 0 H ASP A 55 -6.716 -15.616 -5.841 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.214 -13.436 -4.981 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.092 -13.710 -4.175 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.259 -12.336 -4.875 1.00 0.00 H new ATOM 809 N ILE A 56 -5.245 -13.211 -2.475 1.00 0.00 N ATOM 810 CA ILE A 56 -5.029 -13.225 -1.033 1.00 0.00 C ATOM 811 C ILE A 56 -5.541 -11.942 -0.388 1.00 0.00 C ATOM 812 O ILE A 56 -5.359 -10.841 -0.908 1.00 0.00 O ATOM 813 CB ILE A 56 -3.538 -13.400 -0.689 1.00 0.00 C ATOM 814 CG1 ILE A 56 -3.010 -14.715 -1.267 1.00 0.00 C ATOM 815 CG2 ILE A 56 -3.334 -13.357 0.818 1.00 0.00 C ATOM 816 CD1 ILE A 56 -1.504 -14.839 -1.207 1.00 0.00 C ATOM 0 H ILE A 56 -4.892 -12.378 -2.947 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.587 -14.074 -0.639 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.978 -12.578 -1.135 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.457 -15.547 -0.723 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.333 -14.802 -2.304 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.275 -13.482 1.046 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.677 -12.397 1.204 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.903 -14.161 1.285 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.200 -15.795 -1.633 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.049 -14.027 -1.775 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.175 -14.784 -0.169 1.00 0.00 H new ATOM 828 N PRO A 57 -6.196 -12.084 0.774 1.00 0.00 N ATOM 829 CA PRO A 57 -6.745 -10.946 1.517 1.00 0.00 C ATOM 830 C PRO A 57 -5.656 -10.071 2.126 1.00 0.00 C ATOM 831 O PRO A 57 -5.165 -10.344 3.222 1.00 0.00 O ATOM 832 CB PRO A 57 -7.575 -11.610 2.619 1.00 0.00 C ATOM 833 CG PRO A 57 -6.953 -12.951 2.806 1.00 0.00 C ATOM 834 CD PRO A 57 -6.449 -13.366 1.452 1.00 0.00 C ATOM 0 HA PRO A 57 -7.319 -10.279 0.874 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -7.547 -11.029 3.541 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -8.622 -11.696 2.328 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -6.138 -12.906 3.529 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -7.679 -13.668 3.189 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -5.542 -13.966 1.527 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.185 -13.966 0.916 1.00 0.00 H new ATOM 842 N LEU A 58 -5.281 -9.017 1.408 1.00 0.00 N ATOM 843 CA LEU A 58 -4.248 -8.100 1.878 1.00 0.00 C ATOM 844 C LEU A 58 -4.866 -6.805 2.398 1.00 0.00 C ATOM 845 O LEU A 58 -5.853 -6.315 1.852 1.00 0.00 O ATOM 846 CB LEU A 58 -3.261 -7.791 0.751 1.00 0.00 C ATOM 847 CG LEU A 58 -2.104 -6.857 1.109 1.00 0.00 C ATOM 848 CD1 LEU A 58 -1.134 -7.548 2.054 1.00 0.00 C ATOM 849 CD2 LEU A 58 -1.386 -6.391 -0.149 1.00 0.00 C ATOM 0 H LEU A 58 -5.677 -8.777 0.499 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.714 -8.582 2.697 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.844 -8.732 0.392 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.814 -7.350 -0.079 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.511 -5.982 1.615 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.317 -6.869 2.298 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.656 -7.831 2.968 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.732 -8.441 1.574 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.566 -5.727 0.125 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.991 -7.255 -0.684 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.086 -5.857 -0.791 1.00 0.00 H new ATOM 861 N GLU A 59 -4.275 -6.257 3.456 1.00 0.00 N ATOM 862 CA GLU A 59 -4.767 -5.019 4.048 1.00 0.00 C ATOM 863 C GLU A 59 -3.707 -3.924 3.978 1.00 0.00 C ATOM 864 O GLU A 59 -2.633 -4.045 4.569 1.00 0.00 O ATOM 865 CB GLU A 59 -5.181 -5.252 5.502 1.00 0.00 C ATOM 866 CG GLU A 59 -6.221 -4.265 6.005 1.00 0.00 C ATOM 867 CD GLU A 59 -7.638 -4.690 5.670 1.00 0.00 C ATOM 868 OE1 GLU A 59 -8.124 -5.668 6.275 1.00 0.00 O ATOM 869 OE2 GLU A 59 -8.261 -4.042 4.802 1.00 0.00 O ATOM 0 H GLU A 59 -3.456 -6.651 3.920 1.00 0.00 H new ATOM 0 HA GLU A 59 -5.638 -4.695 3.478 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -5.575 -6.264 5.601 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -4.297 -5.190 6.137 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -6.123 -4.159 7.085 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -6.027 -3.285 5.570 1.00 0.00 H new ATOM 876 N LEU A 60 -4.016 -2.855 3.253 1.00 0.00 N ATOM 877 CA LEU A 60 -3.090 -1.737 3.105 1.00 0.00 C ATOM 878 C LEU A 60 -3.588 -0.513 3.867 1.00 0.00 C ATOM 879 O LEU A 60 -4.740 -0.105 3.723 1.00 0.00 O ATOM 880 CB LEU A 60 -2.909 -1.392 1.625 1.00 0.00 C ATOM 881 CG LEU A 60 -1.800 -2.147 0.891 1.00 0.00 C ATOM 882 CD1 LEU A 60 -2.055 -2.143 -0.608 1.00 0.00 C ATOM 883 CD2 LEU A 60 -0.441 -1.539 1.205 1.00 0.00 C ATOM 0 H LEU A 60 -4.900 -2.738 2.758 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.128 -2.036 3.523 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -3.851 -1.580 1.111 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.709 -0.324 1.543 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.800 -3.181 1.237 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.256 -2.685 -1.114 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.010 -2.626 -0.816 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.082 -1.115 -0.970 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.335 -2.090 0.674 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.427 -0.496 0.889 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.256 -1.595 2.278 1.00 0.00 H new ATOM 895 N VAL A 61 -2.710 0.071 4.676 1.00 0.00 N ATOM 896 CA VAL A 61 -3.059 1.251 5.459 1.00 0.00 C ATOM 897 C VAL A 61 -2.106 2.405 5.167 1.00 0.00 C ATOM 898 O VAL A 61 -0.978 2.433 5.660 1.00 0.00 O ATOM 899 CB VAL A 61 -3.035 0.949 6.969 1.00 0.00 C ATOM 900 CG1 VAL A 61 -3.259 2.223 7.771 1.00 0.00 C ATOM 901 CG2 VAL A 61 -4.079 -0.101 7.319 1.00 0.00 C ATOM 0 H VAL A 61 -1.752 -0.254 4.807 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.070 1.536 5.169 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.053 0.552 7.227 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.239 1.991 8.836 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.472 2.941 7.541 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.227 2.651 7.511 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.048 -0.302 8.390 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.069 0.265 7.047 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.869 -1.020 6.771 1.00 0.00 H new ATOM 911 N PHE A 62 -2.568 3.357 4.363 1.00 0.00 N ATOM 912 CA PHE A 62 -1.757 4.514 4.004 1.00 0.00 C ATOM 913 C PHE A 62 -2.196 5.749 4.786 1.00 0.00 C ATOM 914 O PHE A 62 -3.381 6.080 4.831 1.00 0.00 O ATOM 915 CB PHE A 62 -1.854 4.787 2.502 1.00 0.00 C ATOM 916 CG PHE A 62 -1.145 3.765 1.660 1.00 0.00 C ATOM 917 CD1 PHE A 62 0.239 3.713 1.629 1.00 0.00 C ATOM 918 CD2 PHE A 62 -1.863 2.855 0.900 1.00 0.00 C ATOM 919 CE1 PHE A 62 0.894 2.774 0.854 1.00 0.00 C ATOM 920 CE2 PHE A 62 -1.214 1.914 0.124 1.00 0.00 C ATOM 921 CZ PHE A 62 0.166 1.872 0.102 1.00 0.00 C ATOM 0 H PHE A 62 -3.500 3.350 3.948 1.00 0.00 H new ATOM 0 HA PHE A 62 -0.721 4.292 4.259 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -2.905 4.818 2.214 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.437 5.772 2.292 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.813 4.414 2.217 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -2.943 2.882 0.915 1.00 0.00 H new ATOM 0 HE1 PHE A 62 1.973 2.746 0.836 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -1.786 1.212 -0.465 1.00 0.00 H new ATOM 0 HZ PHE A 62 0.675 1.136 -0.502 1.00 0.00 H new ATOM 931 N HIS A 63 -1.232 6.426 5.402 1.00 0.00 N ATOM 932 CA HIS A 63 -1.518 7.624 6.183 1.00 0.00 C ATOM 933 C HIS A 63 -0.818 8.841 5.585 1.00 0.00 C ATOM 934 O HIS A 63 0.403 8.851 5.423 1.00 0.00 O ATOM 935 CB HIS A 63 -1.078 7.430 7.634 1.00 0.00 C ATOM 936 CG HIS A 63 -0.988 8.709 8.409 1.00 0.00 C ATOM 937 ND1 HIS A 63 0.163 9.124 9.045 1.00 0.00 N ATOM 938 CD2 HIS A 63 -1.914 9.667 8.647 1.00 0.00 C ATOM 939 CE1 HIS A 63 -0.059 10.281 9.642 1.00 0.00 C ATOM 940 NE2 HIS A 63 -1.312 10.633 9.415 1.00 0.00 N ATOM 0 H HIS A 63 -0.246 6.165 5.375 1.00 0.00 H new ATOM 0 HA HIS A 63 -2.594 7.796 6.158 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -1.781 6.762 8.132 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -0.106 6.937 7.647 1.00 0.00 H new ATOM 0 HD1 HIS A 63 1.048 8.617 9.053 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -2.936 9.671 8.298 1.00 0.00 H new ATOM 0 HE1 HIS A 63 0.661 10.844 10.218 1.00 0.00 H new ATOM 949 N LEU A 64 -1.599 9.866 5.259 1.00 0.00 N ATOM 950 CA LEU A 64 -1.054 11.088 4.679 1.00 0.00 C ATOM 951 C LEU A 64 -0.986 12.201 5.720 1.00 0.00 C ATOM 952 O LEU A 64 -1.963 12.904 5.978 1.00 0.00 O ATOM 953 CB LEU A 64 -1.908 11.537 3.492 1.00 0.00 C ATOM 954 CG LEU A 64 -2.242 10.459 2.460 1.00 0.00 C ATOM 955 CD1 LEU A 64 -3.164 11.015 1.386 1.00 0.00 C ATOM 956 CD2 LEU A 64 -0.968 9.905 1.837 1.00 0.00 C ATOM 0 H LEU A 64 -2.611 9.875 5.387 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.042 10.877 4.332 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.842 11.946 3.876 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.389 12.350 2.984 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.759 9.645 2.968 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.391 10.234 0.661 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.089 11.363 1.845 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.674 11.848 0.881 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.224 9.139 1.105 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.424 10.711 1.344 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.342 9.468 2.615 1.00 0.00 H new ATOM 968 N PRO A 65 0.197 12.368 6.331 1.00 0.00 N ATOM 969 CA PRO A 65 0.422 13.396 7.351 1.00 0.00 C ATOM 970 C PRO A 65 0.415 14.805 6.766 1.00 0.00 C ATOM 971 O PRO A 65 -0.045 15.020 5.645 1.00 0.00 O ATOM 972 CB PRO A 65 1.809 13.053 7.900 1.00 0.00 C ATOM 973 CG PRO A 65 2.486 12.325 6.791 1.00 0.00 C ATOM 974 CD PRO A 65 1.404 11.567 6.072 1.00 0.00 C ATOM 0 HA PRO A 65 -0.363 13.398 8.107 1.00 0.00 H new ATOM 0 HB2 PRO A 65 2.359 13.953 8.177 1.00 0.00 H new ATOM 0 HB3 PRO A 65 1.739 12.434 8.795 1.00 0.00 H new ATOM 0 HG2 PRO A 65 2.989 13.019 6.118 1.00 0.00 H new ATOM 0 HG3 PRO A 65 3.247 11.647 7.177 1.00 0.00 H new ATOM 0 HD2 PRO A 65 1.611 11.486 5.005 1.00 0.00 H new ATOM 0 HD3 PRO A 65 1.302 10.552 6.455 1.00 0.00 H new ATOM 982 N VAL A 66 0.927 15.762 7.534 1.00 0.00 N ATOM 983 CA VAL A 66 0.981 17.150 7.091 1.00 0.00 C ATOM 984 C VAL A 66 2.296 17.450 6.381 1.00 0.00 C ATOM 985 O VAL A 66 2.457 18.505 5.769 1.00 0.00 O ATOM 986 CB VAL A 66 0.814 18.123 8.273 1.00 0.00 C ATOM 987 CG1 VAL A 66 -0.591 18.030 8.847 1.00 0.00 C ATOM 988 CG2 VAL A 66 1.857 17.842 9.345 1.00 0.00 C ATOM 0 H VAL A 66 1.310 15.601 8.466 1.00 0.00 H new ATOM 0 HA VAL A 66 0.155 17.292 6.394 1.00 0.00 H new ATOM 0 HB VAL A 66 0.965 19.139 7.909 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.690 18.725 9.681 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.317 18.284 8.075 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.775 17.014 9.197 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.725 18.539 10.173 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.740 16.821 9.708 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.855 17.965 8.923 1.00 0.00 H new ATOM 998 N ASN A 67 3.236 16.514 6.468 1.00 0.00 N ATOM 999 CA ASN A 67 4.539 16.677 5.833 1.00 0.00 C ATOM 1000 C ASN A 67 4.696 15.718 4.658 1.00 0.00 C ATOM 1001 O ASN A 67 5.750 15.107 4.479 1.00 0.00 O ATOM 1002 CB ASN A 67 5.657 16.444 6.851 1.00 0.00 C ATOM 1003 CG ASN A 67 5.364 17.090 8.191 1.00 0.00 C ATOM 1004 OD1 ASN A 67 5.197 16.404 9.200 1.00 0.00 O ATOM 1005 ND2 ASN A 67 5.301 18.416 8.207 1.00 0.00 N ATOM 0 H ASN A 67 3.120 15.635 6.972 1.00 0.00 H new ATOM 0 HA ASN A 67 4.607 17.697 5.456 1.00 0.00 H new ATOM 0 HB2 ASN A 67 5.799 15.372 6.991 1.00 0.00 H new ATOM 0 HB3 ASN A 67 6.592 16.841 6.456 1.00 0.00 H new ATOM 0 HD21 ASN A 67 5.108 18.907 9.080 1.00 0.00 H new ATOM 0 HD22 ASN A 67 5.446 18.944 7.346 1.00 0.00 H new ATOM 1012 N TYR A 68 3.642 15.591 3.860 1.00 0.00 N ATOM 1013 CA TYR A 68 3.662 14.704 2.702 1.00 0.00 C ATOM 1014 C TYR A 68 3.036 15.381 1.487 1.00 0.00 C ATOM 1015 O TYR A 68 2.133 16.210 1.602 1.00 0.00 O ATOM 1016 CB TYR A 68 2.919 13.405 3.016 1.00 0.00 C ATOM 1017 CG TYR A 68 2.306 12.749 1.799 1.00 0.00 C ATOM 1018 CD1 TYR A 68 1.280 13.367 1.095 1.00 0.00 C ATOM 1019 CD2 TYR A 68 2.753 11.512 1.353 1.00 0.00 C ATOM 1020 CE1 TYR A 68 0.716 12.772 -0.017 1.00 0.00 C ATOM 1021 CE2 TYR A 68 2.197 10.909 0.242 1.00 0.00 C ATOM 1022 CZ TYR A 68 1.178 11.543 -0.439 1.00 0.00 C ATOM 1023 OH TYR A 68 0.620 10.946 -1.547 1.00 0.00 O ATOM 0 H TYR A 68 2.763 16.091 3.993 1.00 0.00 H new ATOM 0 HA TYR A 68 4.702 14.473 2.471 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.610 12.705 3.486 1.00 0.00 H new ATOM 0 HB3 TYR A 68 2.132 13.612 3.742 1.00 0.00 H new ATOM 0 HD1 TYR A 68 0.917 14.330 1.423 1.00 0.00 H new ATOM 0 HD2 TYR A 68 3.550 11.013 1.885 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -0.081 13.266 -0.552 1.00 0.00 H new ATOM 0 HE2 TYR A 68 2.557 9.947 -0.092 1.00 0.00 H new ATOM 0 HH TYR A 68 1.059 10.085 -1.711 1.00 0.00 H new ATOM 1033 N PRO A 69 3.526 15.019 0.292 1.00 0.00 N ATOM 1034 CA PRO A 69 4.600 14.033 0.142 1.00 0.00 C ATOM 1035 C PRO A 69 5.942 14.558 0.643 1.00 0.00 C ATOM 1036 O PRO A 69 6.956 13.865 0.570 1.00 0.00 O ATOM 1037 CB PRO A 69 4.651 13.790 -1.368 1.00 0.00 C ATOM 1038 CG PRO A 69 4.103 15.037 -1.971 1.00 0.00 C ATOM 1039 CD PRO A 69 3.068 15.544 -1.006 1.00 0.00 C ATOM 0 HA PRO A 69 4.411 13.132 0.726 1.00 0.00 H new ATOM 0 HB2 PRO A 69 5.671 13.602 -1.705 1.00 0.00 H new ATOM 0 HB3 PRO A 69 4.057 12.920 -1.649 1.00 0.00 H new ATOM 0 HG2 PRO A 69 4.890 15.776 -2.123 1.00 0.00 H new ATOM 0 HG3 PRO A 69 3.661 14.837 -2.947 1.00 0.00 H new ATOM 0 HD2 PRO A 69 3.019 16.633 -1.004 1.00 0.00 H new ATOM 0 HD3 PRO A 69 2.072 15.181 -1.258 1.00 0.00 H new ATOM 1047 N SER A 70 5.940 15.787 1.150 1.00 0.00 N ATOM 1048 CA SER A 70 7.158 16.406 1.660 1.00 0.00 C ATOM 1049 C SER A 70 8.082 15.360 2.275 1.00 0.00 C ATOM 1050 O SER A 70 9.305 15.450 2.158 1.00 0.00 O ATOM 1051 CB SER A 70 6.815 17.475 2.699 1.00 0.00 C ATOM 1052 OG SER A 70 7.971 18.199 3.085 1.00 0.00 O ATOM 0 H SER A 70 5.108 16.374 1.218 1.00 0.00 H new ATOM 0 HA SER A 70 7.676 16.876 0.824 1.00 0.00 H new ATOM 0 HB2 SER A 70 6.073 18.160 2.289 1.00 0.00 H new ATOM 0 HB3 SER A 70 6.367 17.005 3.575 1.00 0.00 H new ATOM 0 HG SER A 70 7.726 18.877 3.748 1.00 0.00 H new ATOM 1058 N CYS A 71 7.489 14.368 2.931 1.00 0.00 N ATOM 1059 CA CYS A 71 8.258 13.304 3.566 1.00 0.00 C ATOM 1060 C CYS A 71 7.599 11.947 3.341 1.00 0.00 C ATOM 1061 O CYS A 71 6.576 11.847 2.662 1.00 0.00 O ATOM 1062 CB CYS A 71 8.399 13.573 5.065 1.00 0.00 C ATOM 1063 SG CYS A 71 9.347 15.061 5.462 1.00 0.00 S ATOM 0 H CYS A 71 6.478 14.279 3.037 1.00 0.00 H new ATOM 0 HA CYS A 71 9.249 13.286 3.112 1.00 0.00 H new ATOM 0 HB2 CYS A 71 7.405 13.661 5.503 1.00 0.00 H new ATOM 0 HB3 CYS A 71 8.879 12.714 5.534 1.00 0.00 H new ATOM 0 HG CYS A 71 9.752 15.624 4.362 1.00 0.00 H new ATOM 1069 N LEU A 72 8.192 10.905 3.913 1.00 0.00 N ATOM 1070 CA LEU A 72 7.663 9.553 3.773 1.00 0.00 C ATOM 1071 C LEU A 72 6.397 9.374 4.605 1.00 0.00 C ATOM 1072 O LEU A 72 6.390 9.574 5.819 1.00 0.00 O ATOM 1073 CB LEU A 72 8.715 8.526 4.197 1.00 0.00 C ATOM 1074 CG LEU A 72 10.043 8.574 3.441 1.00 0.00 C ATOM 1075 CD1 LEU A 72 11.029 7.577 4.030 1.00 0.00 C ATOM 1076 CD2 LEU A 72 9.824 8.299 1.961 1.00 0.00 C ATOM 0 H LEU A 72 9.039 10.970 4.478 1.00 0.00 H new ATOM 0 HA LEU A 72 7.411 9.395 2.724 1.00 0.00 H new ATOM 0 HB2 LEU A 72 8.919 8.662 5.259 1.00 0.00 H new ATOM 0 HB3 LEU A 72 8.289 7.530 4.080 1.00 0.00 H new ATOM 0 HG LEU A 72 10.463 9.574 3.546 1.00 0.00 H new ATOM 0 HD11 LEU A 72 11.968 7.625 3.479 1.00 0.00 H new ATOM 0 HD12 LEU A 72 11.210 7.819 5.077 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.617 6.571 3.956 1.00 0.00 H new ATOM 0 HD21 LEU A 72 10.780 8.337 1.439 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.381 7.311 1.836 1.00 0.00 H new ATOM 0 HD23 LEU A 72 9.154 9.052 1.546 1.00 0.00 H new ATOM 1088 N PRO A 73 5.300 8.987 3.937 1.00 0.00 N ATOM 1089 CA PRO A 73 4.008 8.770 4.595 1.00 0.00 C ATOM 1090 C PRO A 73 4.015 7.538 5.495 1.00 0.00 C ATOM 1091 O PRO A 73 5.049 6.897 5.677 1.00 0.00 O ATOM 1092 CB PRO A 73 3.042 8.572 3.425 1.00 0.00 C ATOM 1093 CG PRO A 73 3.895 8.073 2.310 1.00 0.00 C ATOM 1094 CD PRO A 73 5.236 8.730 2.488 1.00 0.00 C ATOM 0 HA PRO A 73 3.741 9.599 5.250 1.00 0.00 H new ATOM 0 HB2 PRO A 73 2.259 7.856 3.675 1.00 0.00 H new ATOM 0 HB3 PRO A 73 2.547 9.506 3.158 1.00 0.00 H new ATOM 0 HG2 PRO A 73 3.985 6.987 2.343 1.00 0.00 H new ATOM 0 HG3 PRO A 73 3.461 8.327 1.343 1.00 0.00 H new ATOM 0 HD2 PRO A 73 6.048 8.082 2.159 1.00 0.00 H new ATOM 0 HD3 PRO A 73 5.311 9.653 1.912 1.00 0.00 H new ATOM 1102 N GLY A 74 2.854 7.213 6.054 1.00 0.00 N ATOM 1103 CA GLY A 74 2.749 6.058 6.927 1.00 0.00 C ATOM 1104 C GLY A 74 2.267 4.821 6.196 1.00 0.00 C ATOM 1105 O GLY A 74 1.123 4.766 5.743 1.00 0.00 O ATOM 0 H GLY A 74 1.984 7.728 5.918 1.00 0.00 H new ATOM 0 HA2 GLY A 74 3.722 5.856 7.375 1.00 0.00 H new ATOM 0 HA3 GLY A 74 2.063 6.284 7.743 1.00 0.00 H new ATOM 1109 N ILE A 75 3.140 3.826 6.080 1.00 0.00 N ATOM 1110 CA ILE A 75 2.797 2.584 5.399 1.00 0.00 C ATOM 1111 C ILE A 75 2.779 1.410 6.372 1.00 0.00 C ATOM 1112 O ILE A 75 3.666 1.274 7.214 1.00 0.00 O ATOM 1113 CB ILE A 75 3.785 2.276 4.259 1.00 0.00 C ATOM 1114 CG1 ILE A 75 3.780 3.408 3.230 1.00 0.00 C ATOM 1115 CG2 ILE A 75 3.435 0.951 3.598 1.00 0.00 C ATOM 1116 CD1 ILE A 75 5.009 3.429 2.348 1.00 0.00 C ATOM 0 H ILE A 75 4.090 3.856 6.449 1.00 0.00 H new ATOM 0 HA ILE A 75 1.800 2.720 4.979 1.00 0.00 H new ATOM 0 HB ILE A 75 4.788 2.197 4.679 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.894 3.313 2.602 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.701 4.362 3.752 1.00 0.00 H new ATOM 0 HG21 ILE A 75 4.142 0.747 2.794 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.485 0.151 4.337 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.426 1.004 3.189 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.937 4.257 1.643 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.898 3.555 2.966 1.00 0.00 H new ATOM 0 HD13 ILE A 75 5.079 2.490 1.799 1.00 0.00 H new ATOM 1128 N SER A 76 1.762 0.563 6.250 1.00 0.00 N ATOM 1129 CA SER A 76 1.626 -0.599 7.120 1.00 0.00 C ATOM 1130 C SER A 76 1.124 -1.808 6.337 1.00 0.00 C ATOM 1131 O SER A 76 0.231 -1.690 5.496 1.00 0.00 O ATOM 1132 CB SER A 76 0.669 -0.291 8.273 1.00 0.00 C ATOM 1133 OG SER A 76 1.346 0.352 9.339 1.00 0.00 O ATOM 0 H SER A 76 1.020 0.660 5.557 1.00 0.00 H new ATOM 0 HA SER A 76 2.610 -0.834 7.527 1.00 0.00 H new ATOM 0 HB2 SER A 76 -0.142 0.344 7.917 1.00 0.00 H new ATOM 0 HB3 SER A 76 0.216 -1.216 8.631 1.00 0.00 H new ATOM 0 HG SER A 76 2.175 0.754 9.005 1.00 0.00 H new ATOM 1139 N ILE A 77 1.703 -2.970 6.618 1.00 0.00 N ATOM 1140 CA ILE A 77 1.315 -4.201 5.942 1.00 0.00 C ATOM 1141 C ILE A 77 0.986 -5.301 6.946 1.00 0.00 C ATOM 1142 O ILE A 77 1.832 -5.696 7.748 1.00 0.00 O ATOM 1143 CB ILE A 77 2.425 -4.700 4.997 1.00 0.00 C ATOM 1144 CG1 ILE A 77 2.905 -3.562 4.094 1.00 0.00 C ATOM 1145 CG2 ILE A 77 1.925 -5.870 4.164 1.00 0.00 C ATOM 1146 CD1 ILE A 77 1.859 -3.091 3.108 1.00 0.00 C ATOM 0 H ILE A 77 2.443 -3.085 7.310 1.00 0.00 H new ATOM 0 HA ILE A 77 0.426 -3.970 5.355 1.00 0.00 H new ATOM 0 HB ILE A 77 3.268 -5.042 5.598 1.00 0.00 H new ATOM 0 HG12 ILE A 77 3.212 -2.721 4.715 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.787 -3.892 3.546 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.720 -6.211 3.502 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.627 -6.685 4.823 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.068 -5.553 3.569 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.269 -2.283 2.501 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.569 -3.919 2.462 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.985 -2.730 3.650 1.00 0.00 H new ATOM 1158 N ASN A 78 -0.248 -5.791 6.896 1.00 0.00 N ATOM 1159 CA ASN A 78 -0.689 -6.847 7.801 1.00 0.00 C ATOM 1160 C ASN A 78 -1.853 -7.628 7.200 1.00 0.00 C ATOM 1161 O ASN A 78 -2.908 -7.064 6.909 1.00 0.00 O ATOM 1162 CB ASN A 78 -1.101 -6.252 9.149 1.00 0.00 C ATOM 1163 CG ASN A 78 -0.328 -4.991 9.486 1.00 0.00 C ATOM 1164 OD1 ASN A 78 0.664 -5.034 10.214 1.00 0.00 O ATOM 1165 ND2 ASN A 78 -0.779 -3.861 8.955 1.00 0.00 N ATOM 0 H ASN A 78 -0.961 -5.474 6.239 1.00 0.00 H new ATOM 0 HA ASN A 78 0.145 -7.533 7.953 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.168 -6.028 9.133 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -0.943 -6.992 9.933 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -0.299 -2.981 9.145 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -1.605 -3.873 8.357 1.00 0.00 H new ATOM 1172 N SER A 79 -1.653 -8.929 7.017 1.00 0.00 N ATOM 1173 CA SER A 79 -2.685 -9.788 6.447 1.00 0.00 C ATOM 1174 C SER A 79 -2.967 -10.977 7.361 1.00 0.00 C ATOM 1175 O SER A 79 -2.052 -11.549 7.952 1.00 0.00 O ATOM 1176 CB SER A 79 -2.260 -10.283 5.063 1.00 0.00 C ATOM 1177 OG SER A 79 -3.049 -11.385 4.651 1.00 0.00 O ATOM 0 H SER A 79 -0.786 -9.411 7.255 1.00 0.00 H new ATOM 0 HA SER A 79 -3.599 -9.202 6.350 1.00 0.00 H new ATOM 0 HB2 SER A 79 -2.354 -9.474 4.339 1.00 0.00 H new ATOM 0 HB3 SER A 79 -1.209 -10.572 5.083 1.00 0.00 H new ATOM 0 HG SER A 79 -3.875 -11.059 4.236 1.00 0.00 H new ATOM 1183 N GLU A 80 -4.241 -11.342 7.470 1.00 0.00 N ATOM 1184 CA GLU A 80 -4.644 -12.463 8.312 1.00 0.00 C ATOM 1185 C GLU A 80 -3.792 -13.695 8.022 1.00 0.00 C ATOM 1186 O GLU A 80 -3.580 -14.535 8.896 1.00 0.00 O ATOM 1187 CB GLU A 80 -6.123 -12.788 8.093 1.00 0.00 C ATOM 1188 CG GLU A 80 -7.065 -11.911 8.900 1.00 0.00 C ATOM 1189 CD GLU A 80 -6.907 -10.437 8.581 1.00 0.00 C ATOM 1190 OE1 GLU A 80 -6.938 -10.083 7.384 1.00 0.00 O ATOM 1191 OE2 GLU A 80 -6.751 -9.638 9.528 1.00 0.00 O ATOM 0 H GLU A 80 -5.011 -10.879 6.987 1.00 0.00 H new ATOM 0 HA GLU A 80 -4.493 -12.176 9.353 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -6.357 -12.680 7.034 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.299 -13.832 8.353 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -8.094 -12.213 8.704 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -6.883 -12.070 9.963 1.00 0.00 H new ATOM 1198 N GLN A 81 -3.308 -13.796 6.788 1.00 0.00 N ATOM 1199 CA GLN A 81 -2.481 -14.926 6.382 1.00 0.00 C ATOM 1200 C GLN A 81 -1.009 -14.657 6.679 1.00 0.00 C ATOM 1201 O GLN A 81 -0.357 -15.427 7.386 1.00 0.00 O ATOM 1202 CB GLN A 81 -2.669 -15.213 4.892 1.00 0.00 C ATOM 1203 CG GLN A 81 -4.030 -15.799 4.552 1.00 0.00 C ATOM 1204 CD GLN A 81 -4.430 -16.925 5.486 1.00 0.00 C ATOM 1205 OE1 GLN A 81 -5.179 -16.718 6.441 1.00 0.00 O ATOM 1206 NE2 GLN A 81 -3.931 -18.125 5.214 1.00 0.00 N ATOM 0 H GLN A 81 -3.474 -13.109 6.053 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.795 -15.799 6.955 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.531 -14.288 4.332 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -1.893 -15.904 4.563 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -4.782 -15.011 4.596 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -4.016 -16.170 3.527 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -3.314 -18.251 4.412 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -4.165 -18.921 5.807 1.00 0.00 H new ATOM 1215 N LEU A 82 -0.491 -13.562 6.134 1.00 0.00 N ATOM 1216 CA LEU A 82 0.905 -13.192 6.340 1.00 0.00 C ATOM 1217 C LEU A 82 1.282 -13.287 7.815 1.00 0.00 C ATOM 1218 O LEU A 82 0.447 -13.076 8.695 1.00 0.00 O ATOM 1219 CB LEU A 82 1.158 -11.773 5.827 1.00 0.00 C ATOM 1220 CG LEU A 82 1.230 -11.611 4.309 1.00 0.00 C ATOM 1221 CD1 LEU A 82 1.273 -10.138 3.930 1.00 0.00 C ATOM 1222 CD2 LEU A 82 2.443 -12.342 3.752 1.00 0.00 C ATOM 0 H LEU A 82 -1.016 -12.915 5.546 1.00 0.00 H new ATOM 0 HA LEU A 82 1.527 -13.890 5.780 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.367 -11.125 6.204 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.094 -11.415 6.255 1.00 0.00 H new ATOM 0 HG LEU A 82 0.333 -12.051 3.873 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.324 -10.043 2.845 1.00 0.00 H new ATOM 0 HD12 LEU A 82 0.374 -9.642 4.296 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.152 -9.673 4.377 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.479 -12.216 2.670 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.350 -11.931 4.195 1.00 0.00 H new ATOM 0 HD23 LEU A 82 2.370 -13.403 3.992 1.00 0.00 H new ATOM 1234 N THR A 83 2.546 -13.604 8.078 1.00 0.00 N ATOM 1235 CA THR A 83 3.034 -13.725 9.446 1.00 0.00 C ATOM 1236 C THR A 83 3.627 -12.410 9.937 1.00 0.00 C ATOM 1237 O THR A 83 3.912 -11.512 9.144 1.00 0.00 O ATOM 1238 CB THR A 83 4.099 -14.832 9.566 1.00 0.00 C ATOM 1239 OG1 THR A 83 5.176 -14.576 8.658 1.00 0.00 O ATOM 1240 CG2 THR A 83 3.496 -16.197 9.272 1.00 0.00 C ATOM 0 H THR A 83 3.250 -13.782 7.362 1.00 0.00 H new ATOM 0 HA THR A 83 2.176 -13.987 10.066 1.00 0.00 H new ATOM 0 HB THR A 83 4.478 -14.832 10.588 1.00 0.00 H new ATOM 0 HG1 THR A 83 5.849 -15.283 8.741 1.00 0.00 H new ATOM 0 HG21 THR A 83 4.267 -16.962 9.363 1.00 0.00 H new ATOM 0 HG22 THR A 83 2.695 -16.402 9.983 1.00 0.00 H new ATOM 0 HG23 THR A 83 3.093 -16.206 8.259 1.00 0.00 H new ATOM 1248 N ARG A 84 3.812 -12.303 11.249 1.00 0.00 N ATOM 1249 CA ARG A 84 4.372 -11.096 11.845 1.00 0.00 C ATOM 1250 C ARG A 84 5.724 -10.759 11.225 1.00 0.00 C ATOM 1251 O ARG A 84 6.069 -9.589 11.061 1.00 0.00 O ATOM 1252 CB ARG A 84 4.522 -11.271 13.357 1.00 0.00 C ATOM 1253 CG ARG A 84 4.660 -9.959 14.112 1.00 0.00 C ATOM 1254 CD ARG A 84 3.303 -9.391 14.497 1.00 0.00 C ATOM 1255 NE ARG A 84 2.626 -8.773 13.360 1.00 0.00 N ATOM 1256 CZ ARG A 84 1.318 -8.548 13.317 1.00 0.00 C ATOM 1257 NH1 ARG A 84 0.549 -8.888 14.343 1.00 0.00 N ATOM 1258 NH2 ARG A 84 0.775 -7.982 12.247 1.00 0.00 N ATOM 0 H ARG A 84 3.582 -13.037 11.919 1.00 0.00 H new ATOM 0 HA ARG A 84 3.686 -10.272 11.647 1.00 0.00 H new ATOM 0 HB2 ARG A 84 3.656 -11.811 13.739 1.00 0.00 H new ATOM 0 HB3 ARG A 84 5.397 -11.889 13.557 1.00 0.00 H new ATOM 0 HG2 ARG A 84 5.258 -10.116 15.010 1.00 0.00 H new ATOM 0 HG3 ARG A 84 5.196 -9.238 13.495 1.00 0.00 H new ATOM 0 HD2 ARG A 84 2.678 -10.187 14.902 1.00 0.00 H new ATOM 0 HD3 ARG A 84 3.430 -8.652 15.288 1.00 0.00 H new ATOM 0 HE ARG A 84 3.189 -8.499 12.555 1.00 0.00 H new ATOM 0 HH11 ARG A 84 0.962 -9.323 15.168 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -0.455 -8.714 14.307 1.00 0.00 H new ATOM 0 HH21 ARG A 84 1.362 -7.719 11.456 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -0.230 -7.810 12.216 1.00 0.00 H new ATOM 1272 N ALA A 85 6.486 -11.793 10.882 1.00 0.00 N ATOM 1273 CA ALA A 85 7.800 -11.607 10.279 1.00 0.00 C ATOM 1274 C ALA A 85 7.679 -11.200 8.814 1.00 0.00 C ATOM 1275 O ALA A 85 8.381 -10.302 8.351 1.00 0.00 O ATOM 1276 CB ALA A 85 8.625 -12.879 10.409 1.00 0.00 C ATOM 0 H ALA A 85 6.216 -12.768 11.012 1.00 0.00 H new ATOM 0 HA ALA A 85 8.307 -10.802 10.812 1.00 0.00 H new ATOM 0 HB1 ALA A 85 9.604 -12.726 9.954 1.00 0.00 H new ATOM 0 HB2 ALA A 85 8.749 -13.126 11.463 1.00 0.00 H new ATOM 0 HB3 ALA A 85 8.114 -13.698 9.902 1.00 0.00 H new ATOM 1282 N GLN A 86 6.785 -11.867 8.092 1.00 0.00 N ATOM 1283 CA GLN A 86 6.573 -11.575 6.679 1.00 0.00 C ATOM 1284 C GLN A 86 5.927 -10.206 6.497 1.00 0.00 C ATOM 1285 O GLN A 86 6.508 -9.311 5.881 1.00 0.00 O ATOM 1286 CB GLN A 86 5.699 -12.654 6.038 1.00 0.00 C ATOM 1287 CG GLN A 86 6.424 -13.972 5.817 1.00 0.00 C ATOM 1288 CD GLN A 86 5.485 -15.162 5.824 1.00 0.00 C ATOM 1289 OE1 GLN A 86 4.292 -15.025 6.099 1.00 0.00 O ATOM 1290 NE2 GLN A 86 6.018 -16.340 5.521 1.00 0.00 N ATOM 0 H GLN A 86 6.196 -12.613 8.462 1.00 0.00 H new ATOM 0 HA GLN A 86 7.545 -11.566 6.187 1.00 0.00 H new ATOM 0 HB2 GLN A 86 4.829 -12.829 6.671 1.00 0.00 H new ATOM 0 HB3 GLN A 86 5.328 -12.288 5.081 1.00 0.00 H new ATOM 0 HG2 GLN A 86 6.952 -13.936 4.864 1.00 0.00 H new ATOM 0 HG3 GLN A 86 7.177 -14.103 6.594 1.00 0.00 H new ATOM 0 HE21 GLN A 86 7.011 -16.409 5.299 1.00 0.00 H new ATOM 0 HE22 GLN A 86 5.434 -17.176 5.510 1.00 0.00 H new ATOM 1299 N CYS A 87 4.723 -10.050 7.035 1.00 0.00 N ATOM 1300 CA CYS A 87 3.996 -8.789 6.931 1.00 0.00 C ATOM 1301 C CYS A 87 4.944 -7.602 7.067 1.00 0.00 C ATOM 1302 O CYS A 87 4.757 -6.568 6.426 1.00 0.00 O ATOM 1303 CB CYS A 87 2.909 -8.713 8.004 1.00 0.00 C ATOM 1304 SG CYS A 87 3.542 -8.504 9.684 1.00 0.00 S ATOM 0 H CYS A 87 4.229 -10.780 7.548 1.00 0.00 H new ATOM 0 HA CYS A 87 3.529 -8.748 5.947 1.00 0.00 H new ATOM 0 HB2 CYS A 87 2.243 -7.882 7.772 1.00 0.00 H new ATOM 0 HB3 CYS A 87 2.310 -9.623 7.964 1.00 0.00 H new ATOM 0 HG CYS A 87 4.744 -8.994 9.759 1.00 0.00 H new ATOM 1310 N VAL A 88 5.963 -7.758 7.906 1.00 0.00 N ATOM 1311 CA VAL A 88 6.941 -6.699 8.127 1.00 0.00 C ATOM 1312 C VAL A 88 7.899 -6.581 6.946 1.00 0.00 C ATOM 1313 O VAL A 88 8.234 -5.479 6.512 1.00 0.00 O ATOM 1314 CB VAL A 88 7.755 -6.945 9.411 1.00 0.00 C ATOM 1315 CG1 VAL A 88 8.843 -5.894 9.564 1.00 0.00 C ATOM 1316 CG2 VAL A 88 6.840 -6.958 10.627 1.00 0.00 C ATOM 0 H VAL A 88 6.133 -8.608 8.444 1.00 0.00 H new ATOM 0 HA VAL A 88 6.382 -5.769 8.233 1.00 0.00 H new ATOM 0 HB VAL A 88 8.235 -7.921 9.335 1.00 0.00 H new ATOM 0 HG11 VAL A 88 9.407 -6.085 10.477 1.00 0.00 H new ATOM 0 HG12 VAL A 88 9.514 -5.938 8.707 1.00 0.00 H new ATOM 0 HG13 VAL A 88 8.388 -4.905 9.618 1.00 0.00 H new ATOM 0 HG21 VAL A 88 7.432 -7.133 11.526 1.00 0.00 H new ATOM 0 HG22 VAL A 88 6.331 -5.998 10.709 1.00 0.00 H new ATOM 0 HG23 VAL A 88 6.102 -7.752 10.518 1.00 0.00 H new ATOM 1326 N THR A 89 8.336 -7.725 6.429 1.00 0.00 N ATOM 1327 CA THR A 89 9.256 -7.751 5.299 1.00 0.00 C ATOM 1328 C THR A 89 8.716 -6.933 4.132 1.00 0.00 C ATOM 1329 O THR A 89 9.398 -6.049 3.612 1.00 0.00 O ATOM 1330 CB THR A 89 9.520 -9.192 4.823 1.00 0.00 C ATOM 1331 OG1 THR A 89 10.101 -9.960 5.882 1.00 0.00 O ATOM 1332 CG2 THR A 89 10.446 -9.201 3.616 1.00 0.00 C ATOM 0 H THR A 89 8.067 -8.646 6.775 1.00 0.00 H new ATOM 0 HA THR A 89 10.193 -7.313 5.643 1.00 0.00 H new ATOM 0 HB THR A 89 8.567 -9.636 4.534 1.00 0.00 H new ATOM 0 HG1 THR A 89 9.460 -10.039 6.619 1.00 0.00 H new ATOM 0 HG21 THR A 89 10.618 -10.229 3.297 1.00 0.00 H new ATOM 0 HG22 THR A 89 9.987 -8.641 2.801 1.00 0.00 H new ATOM 0 HG23 THR A 89 11.397 -8.740 3.883 1.00 0.00 H new ATOM 1340 N VAL A 90 7.487 -7.231 3.724 1.00 0.00 N ATOM 1341 CA VAL A 90 6.854 -6.522 2.619 1.00 0.00 C ATOM 1342 C VAL A 90 6.905 -5.013 2.833 1.00 0.00 C ATOM 1343 O VAL A 90 7.423 -4.273 1.997 1.00 0.00 O ATOM 1344 CB VAL A 90 5.387 -6.954 2.441 1.00 0.00 C ATOM 1345 CG1 VAL A 90 4.759 -6.237 1.255 1.00 0.00 C ATOM 1346 CG2 VAL A 90 5.293 -8.463 2.272 1.00 0.00 C ATOM 0 H VAL A 90 6.909 -7.960 4.143 1.00 0.00 H new ATOM 0 HA VAL A 90 7.412 -6.778 1.718 1.00 0.00 H new ATOM 0 HB VAL A 90 4.833 -6.676 3.338 1.00 0.00 H new ATOM 0 HG11 VAL A 90 3.722 -6.555 1.145 1.00 0.00 H new ATOM 0 HG12 VAL A 90 4.793 -5.160 1.421 1.00 0.00 H new ATOM 0 HG13 VAL A 90 5.312 -6.481 0.348 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.249 -8.751 2.147 1.00 0.00 H new ATOM 0 HG22 VAL A 90 5.861 -8.767 1.392 1.00 0.00 H new ATOM 0 HG23 VAL A 90 5.702 -8.954 3.155 1.00 0.00 H new ATOM 1356 N LYS A 91 6.366 -4.563 3.961 1.00 0.00 N ATOM 1357 CA LYS A 91 6.351 -3.142 4.288 1.00 0.00 C ATOM 1358 C LYS A 91 7.743 -2.535 4.143 1.00 0.00 C ATOM 1359 O LYS A 91 7.958 -1.645 3.321 1.00 0.00 O ATOM 1360 CB LYS A 91 5.838 -2.932 5.715 1.00 0.00 C ATOM 1361 CG LYS A 91 5.805 -1.474 6.141 1.00 0.00 C ATOM 1362 CD LYS A 91 5.933 -1.330 7.648 1.00 0.00 C ATOM 1363 CE LYS A 91 6.569 -0.002 8.028 1.00 0.00 C ATOM 1364 NZ LYS A 91 6.552 0.219 9.501 1.00 0.00 N ATOM 0 H LYS A 91 5.934 -5.162 4.664 1.00 0.00 H new ATOM 0 HA LYS A 91 5.681 -2.641 3.589 1.00 0.00 H new ATOM 0 HB2 LYS A 91 4.834 -3.348 5.796 1.00 0.00 H new ATOM 0 HB3 LYS A 91 6.471 -3.489 6.405 1.00 0.00 H new ATOM 0 HG2 LYS A 91 6.616 -0.933 5.653 1.00 0.00 H new ATOM 0 HG3 LYS A 91 4.872 -1.018 5.809 1.00 0.00 H new ATOM 0 HD2 LYS A 91 4.947 -1.407 8.107 1.00 0.00 H new ATOM 0 HD3 LYS A 91 6.534 -2.149 8.043 1.00 0.00 H new ATOM 0 HE2 LYS A 91 7.598 0.024 7.669 1.00 0.00 H new ATOM 0 HE3 LYS A 91 6.037 0.810 7.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 6.994 1.135 9.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 5.569 0.219 9.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 7.081 -0.542 9.972 1.00 0.00 H new ATOM 1378 N GLU A 92 8.684 -3.024 4.945 1.00 0.00 N ATOM 1379 CA GLU A 92 10.055 -2.529 4.903 1.00 0.00 C ATOM 1380 C GLU A 92 10.469 -2.195 3.473 1.00 0.00 C ATOM 1381 O GLU A 92 11.101 -1.169 3.221 1.00 0.00 O ATOM 1382 CB GLU A 92 11.013 -3.566 5.494 1.00 0.00 C ATOM 1383 CG GLU A 92 10.767 -3.852 6.966 1.00 0.00 C ATOM 1384 CD GLU A 92 11.361 -2.791 7.873 1.00 0.00 C ATOM 1385 OE1 GLU A 92 12.604 -2.723 7.970 1.00 0.00 O ATOM 1386 OE2 GLU A 92 10.583 -2.031 8.486 1.00 0.00 O ATOM 0 H GLU A 92 8.522 -3.762 5.631 1.00 0.00 H new ATOM 0 HA GLU A 92 10.104 -1.618 5.499 1.00 0.00 H new ATOM 0 HB2 GLU A 92 10.921 -4.495 4.932 1.00 0.00 H new ATOM 0 HB3 GLU A 92 12.037 -3.216 5.367 1.00 0.00 H new ATOM 0 HG2 GLU A 92 9.694 -3.919 7.145 1.00 0.00 H new ATOM 0 HG3 GLU A 92 11.193 -4.822 7.220 1.00 0.00 H new ATOM 1393 N LYS A 93 10.109 -3.069 2.539 1.00 0.00 N ATOM 1394 CA LYS A 93 10.442 -2.868 1.134 1.00 0.00 C ATOM 1395 C LYS A 93 9.748 -1.627 0.582 1.00 0.00 C ATOM 1396 O LYS A 93 10.393 -0.743 0.016 1.00 0.00 O ATOM 1397 CB LYS A 93 10.041 -4.096 0.313 1.00 0.00 C ATOM 1398 CG LYS A 93 10.724 -5.377 0.762 1.00 0.00 C ATOM 1399 CD LYS A 93 12.217 -5.340 0.484 1.00 0.00 C ATOM 1400 CE LYS A 93 12.853 -6.708 0.676 1.00 0.00 C ATOM 1401 NZ LYS A 93 12.617 -7.600 -0.493 1.00 0.00 N ATOM 0 H LYS A 93 9.586 -3.924 2.730 1.00 0.00 H new ATOM 0 HA LYS A 93 11.520 -2.724 1.059 1.00 0.00 H new ATOM 0 HB2 LYS A 93 8.961 -4.228 0.377 1.00 0.00 H new ATOM 0 HB3 LYS A 93 10.279 -3.915 -0.735 1.00 0.00 H new ATOM 0 HG2 LYS A 93 10.555 -5.526 1.829 1.00 0.00 H new ATOM 0 HG3 LYS A 93 10.278 -6.228 0.247 1.00 0.00 H new ATOM 0 HD2 LYS A 93 12.390 -4.997 -0.536 1.00 0.00 H new ATOM 0 HD3 LYS A 93 12.694 -4.619 1.148 1.00 0.00 H new ATOM 0 HE2 LYS A 93 13.925 -6.591 0.832 1.00 0.00 H new ATOM 0 HE3 LYS A 93 12.449 -7.173 1.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 12.518 -8.582 -0.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 11.747 -7.309 -0.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 13.421 -7.533 -1.149 1.00 0.00 H new ATOM 1415 N LEU A 94 8.432 -1.566 0.752 1.00 0.00 N ATOM 1416 CA LEU A 94 7.651 -0.431 0.272 1.00 0.00 C ATOM 1417 C LEU A 94 8.329 0.887 0.630 1.00 0.00 C ATOM 1418 O LEU A 94 8.504 1.759 -0.223 1.00 0.00 O ATOM 1419 CB LEU A 94 6.241 -0.470 0.866 1.00 0.00 C ATOM 1420 CG LEU A 94 5.235 -1.371 0.149 1.00 0.00 C ATOM 1421 CD1 LEU A 94 4.973 -0.862 -1.260 1.00 0.00 C ATOM 1422 CD2 LEU A 94 5.735 -2.807 0.115 1.00 0.00 C ATOM 0 H LEU A 94 7.883 -2.289 1.218 1.00 0.00 H new ATOM 0 HA LEU A 94 7.584 -0.501 -0.814 1.00 0.00 H new ATOM 0 HB2 LEU A 94 6.315 -0.795 1.904 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.845 0.545 0.878 1.00 0.00 H new ATOM 0 HG LEU A 94 4.296 -1.348 0.702 1.00 0.00 H new ATOM 0 HD11 LEU A 94 4.255 -1.515 -1.755 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.570 0.150 -1.212 1.00 0.00 H new ATOM 0 HD13 LEU A 94 5.906 -0.855 -1.824 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.006 -3.434 -0.399 1.00 0.00 H new ATOM 0 HD22 LEU A 94 6.687 -2.848 -0.414 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.871 -3.169 1.134 1.00 0.00 H new ATOM 1434 N LEU A 95 8.713 1.026 1.894 1.00 0.00 N ATOM 1435 CA LEU A 95 9.375 2.237 2.364 1.00 0.00 C ATOM 1436 C LEU A 95 10.476 2.666 1.399 1.00 0.00 C ATOM 1437 O LEU A 95 10.557 3.831 1.014 1.00 0.00 O ATOM 1438 CB LEU A 95 9.963 2.012 3.759 1.00 0.00 C ATOM 1439 CG LEU A 95 9.024 2.285 4.935 1.00 0.00 C ATOM 1440 CD1 LEU A 95 8.725 3.772 5.044 1.00 0.00 C ATOM 1441 CD2 LEU A 95 7.736 1.489 4.784 1.00 0.00 C ATOM 0 H LEU A 95 8.577 0.314 2.612 1.00 0.00 H new ATOM 0 HA LEU A 95 8.631 3.032 2.414 1.00 0.00 H new ATOM 0 HB2 LEU A 95 10.305 0.979 3.825 1.00 0.00 H new ATOM 0 HB3 LEU A 95 10.843 2.646 3.867 1.00 0.00 H new ATOM 0 HG LEU A 95 9.518 1.967 5.853 1.00 0.00 H new ATOM 0 HD11 LEU A 95 8.056 3.948 5.886 1.00 0.00 H new ATOM 0 HD12 LEU A 95 9.655 4.320 5.199 1.00 0.00 H new ATOM 0 HD13 LEU A 95 8.250 4.116 4.125 1.00 0.00 H new ATOM 0 HD21 LEU A 95 7.080 1.695 5.629 1.00 0.00 H new ATOM 0 HD22 LEU A 95 7.237 1.776 3.859 1.00 0.00 H new ATOM 0 HD23 LEU A 95 7.968 0.424 4.756 1.00 0.00 H new ATOM 1453 N GLU A 96 11.320 1.714 1.012 1.00 0.00 N ATOM 1454 CA GLU A 96 12.415 1.994 0.090 1.00 0.00 C ATOM 1455 C GLU A 96 11.901 2.677 -1.174 1.00 0.00 C ATOM 1456 O GLU A 96 12.401 3.730 -1.569 1.00 0.00 O ATOM 1457 CB GLU A 96 13.145 0.700 -0.276 1.00 0.00 C ATOM 1458 CG GLU A 96 13.915 0.086 0.881 1.00 0.00 C ATOM 1459 CD GLU A 96 14.260 -1.371 0.644 1.00 0.00 C ATOM 1460 OE1 GLU A 96 13.575 -2.017 -0.177 1.00 0.00 O ATOM 1461 OE2 GLU A 96 15.214 -1.866 1.280 1.00 0.00 O ATOM 0 H GLU A 96 11.267 0.744 1.322 1.00 0.00 H new ATOM 0 HA GLU A 96 13.112 2.668 0.587 1.00 0.00 H new ATOM 0 HB2 GLU A 96 12.419 -0.025 -0.643 1.00 0.00 H new ATOM 0 HB3 GLU A 96 13.836 0.902 -1.095 1.00 0.00 H new ATOM 0 HG2 GLU A 96 14.833 0.651 1.042 1.00 0.00 H new ATOM 0 HG3 GLU A 96 13.323 0.172 1.792 1.00 0.00 H new ATOM 1468 N GLN A 97 10.900 2.069 -1.803 1.00 0.00 N ATOM 1469 CA GLN A 97 10.320 2.617 -3.023 1.00 0.00 C ATOM 1470 C GLN A 97 9.770 4.019 -2.781 1.00 0.00 C ATOM 1471 O GLN A 97 10.015 4.936 -3.565 1.00 0.00 O ATOM 1472 CB GLN A 97 9.208 1.702 -3.540 1.00 0.00 C ATOM 1473 CG GLN A 97 9.707 0.598 -4.458 1.00 0.00 C ATOM 1474 CD GLN A 97 9.813 1.043 -5.903 1.00 0.00 C ATOM 1475 OE1 GLN A 97 10.907 1.291 -6.410 1.00 0.00 O ATOM 1476 NE2 GLN A 97 8.672 1.148 -6.575 1.00 0.00 N ATOM 0 H GLN A 97 10.474 1.197 -1.488 1.00 0.00 H new ATOM 0 HA GLN A 97 11.107 2.680 -3.774 1.00 0.00 H new ATOM 0 HB2 GLN A 97 8.694 1.252 -2.690 1.00 0.00 H new ATOM 0 HB3 GLN A 97 8.473 2.304 -4.075 1.00 0.00 H new ATOM 0 HG2 GLN A 97 10.684 0.259 -4.114 1.00 0.00 H new ATOM 0 HG3 GLN A 97 9.032 -0.256 -4.393 1.00 0.00 H new ATOM 0 HE21 GLN A 97 7.788 0.932 -6.115 1.00 0.00 H new ATOM 0 HE22 GLN A 97 8.680 1.444 -7.551 1.00 0.00 H new ATOM 1485 N ALA A 98 9.025 4.178 -1.692 1.00 0.00 N ATOM 1486 CA ALA A 98 8.442 5.468 -1.347 1.00 0.00 C ATOM 1487 C ALA A 98 9.420 6.604 -1.624 1.00 0.00 C ATOM 1488 O ALA A 98 9.173 7.453 -2.479 1.00 0.00 O ATOM 1489 CB ALA A 98 8.015 5.480 0.113 1.00 0.00 C ATOM 0 H ALA A 98 8.811 3.429 -1.034 1.00 0.00 H new ATOM 0 HA ALA A 98 7.563 5.621 -1.973 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.581 6.450 0.357 1.00 0.00 H new ATOM 0 HB2 ALA A 98 7.274 4.698 0.282 1.00 0.00 H new ATOM 0 HB3 ALA A 98 8.883 5.301 0.747 1.00 0.00 H new ATOM 1495 N GLU A 99 10.531 6.614 -0.893 1.00 0.00 N ATOM 1496 CA GLU A 99 11.545 7.648 -1.060 1.00 0.00 C ATOM 1497 C GLU A 99 11.676 8.050 -2.527 1.00 0.00 C ATOM 1498 O GLU A 99 11.313 9.162 -2.911 1.00 0.00 O ATOM 1499 CB GLU A 99 12.895 7.160 -0.532 1.00 0.00 C ATOM 1500 CG GLU A 99 13.122 7.471 0.938 1.00 0.00 C ATOM 1501 CD GLU A 99 14.565 7.273 1.360 1.00 0.00 C ATOM 1502 OE1 GLU A 99 15.365 8.220 1.206 1.00 0.00 O ATOM 1503 OE2 GLU A 99 14.894 6.170 1.846 1.00 0.00 O ATOM 0 H GLU A 99 10.751 5.918 -0.180 1.00 0.00 H new ATOM 0 HA GLU A 99 11.233 8.522 -0.488 1.00 0.00 H new ATOM 0 HB2 GLU A 99 12.966 6.083 -0.682 1.00 0.00 H new ATOM 0 HB3 GLU A 99 13.692 7.617 -1.119 1.00 0.00 H new ATOM 0 HG2 GLU A 99 12.827 8.501 1.137 1.00 0.00 H new ATOM 0 HG3 GLU A 99 12.479 6.833 1.544 1.00 0.00 H new ATOM 1510 N SER A 100 12.198 7.138 -3.340 1.00 0.00 N ATOM 1511 CA SER A 100 12.382 7.398 -4.763 1.00 0.00 C ATOM 1512 C SER A 100 11.123 8.011 -5.370 1.00 0.00 C ATOM 1513 O SER A 100 11.195 8.792 -6.320 1.00 0.00 O ATOM 1514 CB SER A 100 12.737 6.104 -5.498 1.00 0.00 C ATOM 1515 OG SER A 100 13.229 6.375 -6.799 1.00 0.00 O ATOM 0 H SER A 100 12.501 6.212 -3.038 1.00 0.00 H new ATOM 0 HA SER A 100 13.202 8.108 -4.874 1.00 0.00 H new ATOM 0 HB2 SER A 100 13.487 5.553 -4.930 1.00 0.00 H new ATOM 0 HB3 SER A 100 11.855 5.466 -5.565 1.00 0.00 H new ATOM 0 HG SER A 100 13.450 5.532 -7.247 1.00 0.00 H new ATOM 1521 N LEU A 101 9.971 7.652 -4.815 1.00 0.00 N ATOM 1522 CA LEU A 101 8.695 8.166 -5.300 1.00 0.00 C ATOM 1523 C LEU A 101 8.249 9.374 -4.483 1.00 0.00 C ATOM 1524 O LEU A 101 7.056 9.572 -4.248 1.00 0.00 O ATOM 1525 CB LEU A 101 7.627 7.072 -5.240 1.00 0.00 C ATOM 1526 CG LEU A 101 7.646 6.052 -6.379 1.00 0.00 C ATOM 1527 CD1 LEU A 101 6.951 4.767 -5.956 1.00 0.00 C ATOM 1528 CD2 LEU A 101 6.989 6.630 -7.624 1.00 0.00 C ATOM 0 H LEU A 101 9.894 7.007 -4.029 1.00 0.00 H new ATOM 0 HA LEU A 101 8.827 8.480 -6.335 1.00 0.00 H new ATOM 0 HB2 LEU A 101 7.737 6.536 -4.297 1.00 0.00 H new ATOM 0 HB3 LEU A 101 6.647 7.549 -5.223 1.00 0.00 H new ATOM 0 HG LEU A 101 8.684 5.819 -6.615 1.00 0.00 H new ATOM 0 HD11 LEU A 101 6.974 4.053 -6.779 1.00 0.00 H new ATOM 0 HD12 LEU A 101 7.464 4.343 -5.093 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.916 4.983 -5.692 1.00 0.00 H new ATOM 0 HD21 LEU A 101 7.012 5.890 -8.424 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.955 6.892 -7.401 1.00 0.00 H new ATOM 0 HD23 LEU A 101 7.529 7.522 -7.940 1.00 0.00 H new ATOM 1540 N LEU A 102 9.213 10.181 -4.055 1.00 0.00 N ATOM 1541 CA LEU A 102 8.920 11.373 -3.266 1.00 0.00 C ATOM 1542 C LEU A 102 8.313 12.467 -4.138 1.00 0.00 C ATOM 1543 O LEU A 102 8.485 12.470 -5.357 1.00 0.00 O ATOM 1544 CB LEU A 102 10.193 11.888 -2.592 1.00 0.00 C ATOM 1545 CG LEU A 102 10.496 11.318 -1.206 1.00 0.00 C ATOM 1546 CD1 LEU A 102 11.996 11.298 -0.954 1.00 0.00 C ATOM 1547 CD2 LEU A 102 9.784 12.125 -0.131 1.00 0.00 C ATOM 0 H LEU A 102 10.205 10.032 -4.241 1.00 0.00 H new ATOM 0 HA LEU A 102 8.195 11.102 -2.499 1.00 0.00 H new ATOM 0 HB2 LEU A 102 11.039 11.672 -3.245 1.00 0.00 H new ATOM 0 HB3 LEU A 102 10.123 12.973 -2.510 1.00 0.00 H new ATOM 0 HG LEU A 102 10.128 10.293 -1.167 1.00 0.00 H new ATOM 0 HD11 LEU A 102 12.193 10.889 0.037 1.00 0.00 H new ATOM 0 HD12 LEU A 102 12.483 10.677 -1.706 1.00 0.00 H new ATOM 0 HD13 LEU A 102 12.388 12.313 -1.012 1.00 0.00 H new ATOM 0 HD21 LEU A 102 10.011 11.705 0.849 1.00 0.00 H new ATOM 0 HD22 LEU A 102 10.122 13.160 -0.169 1.00 0.00 H new ATOM 0 HD23 LEU A 102 8.708 12.088 -0.301 1.00 0.00 H new ATOM 1559 N SER A 103 7.605 13.397 -3.505 1.00 0.00 N ATOM 1560 CA SER A 103 6.972 14.497 -4.223 1.00 0.00 C ATOM 1561 C SER A 103 6.099 13.972 -5.360 1.00 0.00 C ATOM 1562 O SER A 103 6.157 14.473 -6.482 1.00 0.00 O ATOM 1563 CB SER A 103 8.033 15.450 -4.778 1.00 0.00 C ATOM 1564 OG SER A 103 8.571 16.266 -3.752 1.00 0.00 O ATOM 0 H SER A 103 7.455 13.411 -2.496 1.00 0.00 H new ATOM 0 HA SER A 103 6.338 15.039 -3.521 1.00 0.00 H new ATOM 0 HB2 SER A 103 8.832 14.876 -5.247 1.00 0.00 H new ATOM 0 HB3 SER A 103 7.593 16.077 -5.553 1.00 0.00 H new ATOM 0 HG SER A 103 9.248 16.865 -4.131 1.00 0.00 H new ATOM 1570 N GLU A 104 5.292 12.960 -5.059 1.00 0.00 N ATOM 1571 CA GLU A 104 4.408 12.367 -6.055 1.00 0.00 C ATOM 1572 C GLU A 104 3.480 11.337 -5.415 1.00 0.00 C ATOM 1573 O GLU A 104 3.781 10.757 -4.372 1.00 0.00 O ATOM 1574 CB GLU A 104 5.226 11.710 -7.169 1.00 0.00 C ATOM 1575 CG GLU A 104 6.352 10.827 -6.658 1.00 0.00 C ATOM 1576 CD GLU A 104 7.518 10.751 -7.624 1.00 0.00 C ATOM 1577 OE1 GLU A 104 7.273 10.687 -8.846 1.00 0.00 O ATOM 1578 OE2 GLU A 104 8.676 10.755 -7.156 1.00 0.00 O ATOM 0 H GLU A 104 5.232 12.534 -4.134 1.00 0.00 H new ATOM 0 HA GLU A 104 3.799 13.163 -6.483 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.561 11.112 -7.792 1.00 0.00 H new ATOM 0 HB3 GLU A 104 5.646 12.488 -7.807 1.00 0.00 H new ATOM 0 HG2 GLU A 104 6.703 11.210 -5.700 1.00 0.00 H new ATOM 0 HG3 GLU A 104 5.968 9.823 -6.478 1.00 0.00 H new ATOM 1585 N PRO A 105 2.324 11.105 -6.055 1.00 0.00 N ATOM 1586 CA PRO A 105 1.329 10.145 -5.567 1.00 0.00 C ATOM 1587 C PRO A 105 1.804 8.702 -5.696 1.00 0.00 C ATOM 1588 O PRO A 105 1.709 8.101 -6.765 1.00 0.00 O ATOM 1589 CB PRO A 105 0.122 10.394 -6.475 1.00 0.00 C ATOM 1590 CG PRO A 105 0.699 10.960 -7.726 1.00 0.00 C ATOM 1591 CD PRO A 105 1.900 11.760 -7.303 1.00 0.00 C ATOM 0 HA PRO A 105 1.117 10.280 -4.506 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -0.422 9.470 -6.673 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -0.583 11.087 -6.015 1.00 0.00 H new ATOM 0 HG2 PRO A 105 0.982 10.167 -8.419 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -0.027 11.589 -8.241 1.00 0.00 H new ATOM 0 HD2 PRO A 105 2.686 11.734 -8.058 1.00 0.00 H new ATOM 0 HD3 PRO A 105 1.648 12.808 -7.141 1.00 0.00 H new ATOM 1599 N MET A 106 2.314 8.152 -4.599 1.00 0.00 N ATOM 1600 CA MET A 106 2.802 6.777 -4.590 1.00 0.00 C ATOM 1601 C MET A 106 1.753 5.832 -4.012 1.00 0.00 C ATOM 1602 O MET A 106 1.625 4.689 -4.449 1.00 0.00 O ATOM 1603 CB MET A 106 4.096 6.678 -3.781 1.00 0.00 C ATOM 1604 CG MET A 106 4.011 7.340 -2.415 1.00 0.00 C ATOM 1605 SD MET A 106 5.535 7.172 -1.466 1.00 0.00 S ATOM 1606 CE MET A 106 6.092 8.874 -1.416 1.00 0.00 C ATOM 0 H MET A 106 2.400 8.636 -3.706 1.00 0.00 H new ATOM 0 HA MET A 106 3.003 6.482 -5.620 1.00 0.00 H new ATOM 0 HB2 MET A 106 4.354 5.627 -3.651 1.00 0.00 H new ATOM 0 HB3 MET A 106 4.906 7.137 -4.348 1.00 0.00 H new ATOM 0 HG2 MET A 106 3.781 8.398 -2.542 1.00 0.00 H new ATOM 0 HG3 MET A 106 3.187 6.900 -1.853 1.00 0.00 H new ATOM 0 HE1 MET A 106 7.169 8.910 -1.583 1.00 0.00 H new ATOM 0 HE2 MET A 106 5.585 9.446 -2.193 1.00 0.00 H new ATOM 0 HE3 MET A 106 5.862 9.304 -0.441 1.00 0.00 H new ATOM 1616 N VAL A 107 1.006 6.317 -3.025 1.00 0.00 N ATOM 1617 CA VAL A 107 -0.032 5.515 -2.388 1.00 0.00 C ATOM 1618 C VAL A 107 -0.708 4.591 -3.394 1.00 0.00 C ATOM 1619 O VAL A 107 -0.903 3.404 -3.130 1.00 0.00 O ATOM 1620 CB VAL A 107 -1.101 6.405 -1.725 1.00 0.00 C ATOM 1621 CG1 VAL A 107 -2.186 5.551 -1.087 1.00 0.00 C ATOM 1622 CG2 VAL A 107 -0.463 7.327 -0.697 1.00 0.00 C ATOM 0 H VAL A 107 1.100 7.261 -2.649 1.00 0.00 H new ATOM 0 HA VAL A 107 0.458 4.915 -1.621 1.00 0.00 H new ATOM 0 HB VAL A 107 -1.564 7.022 -2.495 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.932 6.197 -0.624 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.662 4.937 -1.851 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.743 4.907 -0.328 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -1.232 7.948 -0.239 1.00 0.00 H new ATOM 0 HG22 VAL A 107 0.028 6.730 0.072 1.00 0.00 H new ATOM 0 HG23 VAL A 107 0.274 7.964 -1.187 1.00 0.00 H new ATOM 1632 N HIS A 108 -1.065 5.143 -4.550 1.00 0.00 N ATOM 1633 CA HIS A 108 -1.719 4.368 -5.597 1.00 0.00 C ATOM 1634 C HIS A 108 -0.728 3.428 -6.277 1.00 0.00 C ATOM 1635 O HIS A 108 -0.854 2.207 -6.186 1.00 0.00 O ATOM 1636 CB HIS A 108 -2.349 5.299 -6.633 1.00 0.00 C ATOM 1637 CG HIS A 108 -2.846 4.589 -7.854 1.00 0.00 C ATOM 1638 ND1 HIS A 108 -2.406 4.882 -9.127 1.00 0.00 N ATOM 1639 CD2 HIS A 108 -3.751 3.592 -7.991 1.00 0.00 C ATOM 1640 CE1 HIS A 108 -3.019 4.097 -9.995 1.00 0.00 C ATOM 1641 NE2 HIS A 108 -3.841 3.304 -9.331 1.00 0.00 N ATOM 0 H HIS A 108 -0.912 6.124 -4.784 1.00 0.00 H new ATOM 0 HA HIS A 108 -2.503 3.769 -5.134 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -3.179 5.834 -6.171 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -1.614 6.047 -6.932 1.00 0.00 H new ATOM 0 HD1 HIS A 108 -1.715 5.594 -9.362 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -4.300 3.112 -7.195 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -2.873 4.103 -11.065 1.00 0.00 H new ATOM 1650 N GLU A 109 0.257 4.006 -6.959 1.00 0.00 N ATOM 1651 CA GLU A 109 1.268 3.219 -7.655 1.00 0.00 C ATOM 1652 C GLU A 109 1.670 1.999 -6.831 1.00 0.00 C ATOM 1653 O GLU A 109 1.563 0.862 -7.292 1.00 0.00 O ATOM 1654 CB GLU A 109 2.500 4.077 -7.950 1.00 0.00 C ATOM 1655 CG GLU A 109 2.353 4.946 -9.189 1.00 0.00 C ATOM 1656 CD GLU A 109 1.831 4.173 -10.385 1.00 0.00 C ATOM 1657 OE1 GLU A 109 2.357 3.074 -10.657 1.00 0.00 O ATOM 1658 OE2 GLU A 109 0.897 4.669 -11.048 1.00 0.00 O ATOM 0 H GLU A 109 0.376 5.016 -7.044 1.00 0.00 H new ATOM 0 HA GLU A 109 0.840 2.875 -8.596 1.00 0.00 H new ATOM 0 HB2 GLU A 109 2.702 4.716 -7.090 1.00 0.00 H new ATOM 0 HB3 GLU A 109 3.365 3.426 -8.074 1.00 0.00 H new ATOM 0 HG2 GLU A 109 1.676 5.772 -8.971 1.00 0.00 H new ATOM 0 HG3 GLU A 109 3.320 5.384 -9.438 1.00 0.00 H new ATOM 1665 N LEU A 110 2.133 2.244 -5.610 1.00 0.00 N ATOM 1666 CA LEU A 110 2.553 1.166 -4.721 1.00 0.00 C ATOM 1667 C LEU A 110 1.525 0.039 -4.708 1.00 0.00 C ATOM 1668 O LEU A 110 1.872 -1.134 -4.846 1.00 0.00 O ATOM 1669 CB LEU A 110 2.758 1.700 -3.302 1.00 0.00 C ATOM 1670 CG LEU A 110 3.699 2.897 -3.166 1.00 0.00 C ATOM 1671 CD1 LEU A 110 3.387 3.679 -1.899 1.00 0.00 C ATOM 1672 CD2 LEU A 110 5.150 2.438 -3.167 1.00 0.00 C ATOM 0 H LEU A 110 2.227 3.179 -5.213 1.00 0.00 H new ATOM 0 HA LEU A 110 3.497 0.768 -5.094 1.00 0.00 H new ATOM 0 HB2 LEU A 110 1.786 1.980 -2.896 1.00 0.00 H new ATOM 0 HB3 LEU A 110 3.141 0.890 -2.682 1.00 0.00 H new ATOM 0 HG LEU A 110 3.546 3.554 -4.022 1.00 0.00 H new ATOM 0 HD11 LEU A 110 4.067 4.527 -1.818 1.00 0.00 H new ATOM 0 HD12 LEU A 110 2.359 4.040 -1.938 1.00 0.00 H new ATOM 0 HD13 LEU A 110 3.511 3.031 -1.031 1.00 0.00 H new ATOM 0 HD21 LEU A 110 5.805 3.303 -3.069 1.00 0.00 H new ATOM 0 HD22 LEU A 110 5.318 1.760 -2.330 1.00 0.00 H new ATOM 0 HD23 LEU A 110 5.368 1.922 -4.102 1.00 0.00 H new ATOM 1684 N VAL A 111 0.257 0.403 -4.545 1.00 0.00 N ATOM 1685 CA VAL A 111 -0.823 -0.576 -4.518 1.00 0.00 C ATOM 1686 C VAL A 111 -0.757 -1.500 -5.729 1.00 0.00 C ATOM 1687 O VAL A 111 -1.067 -2.689 -5.634 1.00 0.00 O ATOM 1688 CB VAL A 111 -2.202 0.109 -4.483 1.00 0.00 C ATOM 1689 CG1 VAL A 111 -3.314 -0.926 -4.548 1.00 0.00 C ATOM 1690 CG2 VAL A 111 -2.337 0.971 -3.237 1.00 0.00 C ATOM 0 H VAL A 111 -0.048 1.370 -4.430 1.00 0.00 H new ATOM 0 HA VAL A 111 -0.695 -1.163 -3.609 1.00 0.00 H new ATOM 0 HB VAL A 111 -2.289 0.756 -5.356 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -4.281 -0.423 -4.522 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -3.226 -1.497 -5.473 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -3.233 -1.601 -3.696 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -3.317 1.447 -3.229 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -2.229 0.347 -2.350 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -1.561 1.737 -3.239 1.00 0.00 H new ATOM 1700 N LEU A 112 -0.351 -0.947 -6.866 1.00 0.00 N ATOM 1701 CA LEU A 112 -0.243 -1.722 -8.098 1.00 0.00 C ATOM 1702 C LEU A 112 1.081 -2.476 -8.152 1.00 0.00 C ATOM 1703 O LEU A 112 1.128 -3.640 -8.549 1.00 0.00 O ATOM 1704 CB LEU A 112 -0.370 -0.803 -9.314 1.00 0.00 C ATOM 1705 CG LEU A 112 -1.748 -0.179 -9.543 1.00 0.00 C ATOM 1706 CD1 LEU A 112 -1.642 1.023 -10.469 1.00 0.00 C ATOM 1707 CD2 LEU A 112 -2.712 -1.209 -10.111 1.00 0.00 C ATOM 0 H LEU A 112 -0.091 0.035 -6.961 1.00 0.00 H new ATOM 0 HA LEU A 112 -1.055 -2.449 -8.114 1.00 0.00 H new ATOM 0 HB2 LEU A 112 0.359 0.001 -9.214 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -0.098 -1.371 -10.204 1.00 0.00 H new ATOM 0 HG LEU A 112 -2.136 0.161 -8.583 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -2.632 1.454 -10.621 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -0.986 1.770 -10.022 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -1.233 0.708 -11.429 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -3.687 -0.747 -10.267 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -2.329 -1.580 -11.062 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -2.812 -2.039 -9.411 1.00 0.00 H new ATOM 1719 N TRP A 113 2.155 -1.806 -7.750 1.00 0.00 N ATOM 1720 CA TRP A 113 3.480 -2.414 -7.751 1.00 0.00 C ATOM 1721 C TRP A 113 3.506 -3.665 -6.881 1.00 0.00 C ATOM 1722 O TRP A 113 4.120 -4.670 -7.241 1.00 0.00 O ATOM 1723 CB TRP A 113 4.524 -1.412 -7.256 1.00 0.00 C ATOM 1724 CG TRP A 113 5.862 -2.032 -6.988 1.00 0.00 C ATOM 1725 CD1 TRP A 113 6.853 -2.268 -7.898 1.00 0.00 C ATOM 1726 CD2 TRP A 113 6.355 -2.495 -5.726 1.00 0.00 C ATOM 1727 NE1 TRP A 113 7.932 -2.851 -7.277 1.00 0.00 N ATOM 1728 CE2 TRP A 113 7.652 -3.000 -5.945 1.00 0.00 C ATOM 1729 CE3 TRP A 113 5.828 -2.531 -4.432 1.00 0.00 C ATOM 1730 CZ2 TRP A 113 8.425 -3.535 -4.918 1.00 0.00 C ATOM 1731 CZ3 TRP A 113 6.596 -3.062 -3.414 1.00 0.00 C ATOM 1732 CH2 TRP A 113 7.884 -3.557 -3.661 1.00 0.00 C ATOM 0 H TRP A 113 2.134 -0.841 -7.419 1.00 0.00 H new ATOM 0 HA TRP A 113 3.719 -2.701 -8.775 1.00 0.00 H new ATOM 0 HB2 TRP A 113 4.640 -0.622 -7.998 1.00 0.00 H new ATOM 0 HB3 TRP A 113 4.160 -0.941 -6.343 1.00 0.00 H new ATOM 0 HD1 TRP A 113 6.797 -2.031 -8.950 1.00 0.00 H new ATOM 0 HE1 TRP A 113 8.801 -3.128 -7.734 1.00 0.00 H new ATOM 0 HE3 TRP A 113 4.837 -2.150 -4.231 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 9.417 -3.919 -5.107 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 6.197 -3.096 -2.411 1.00 0.00 H new ATOM 0 HH2 TRP A 113 8.461 -3.964 -2.843 1.00 0.00 H new ATOM 1743 N ILE A 114 2.836 -3.598 -5.736 1.00 0.00 N ATOM 1744 CA ILE A 114 2.781 -4.727 -4.815 1.00 0.00 C ATOM 1745 C ILE A 114 1.864 -5.824 -5.345 1.00 0.00 C ATOM 1746 O ILE A 114 2.190 -7.009 -5.269 1.00 0.00 O ATOM 1747 CB ILE A 114 2.292 -4.294 -3.421 1.00 0.00 C ATOM 1748 CG1 ILE A 114 2.288 -5.488 -2.464 1.00 0.00 C ATOM 1749 CG2 ILE A 114 0.904 -3.678 -3.514 1.00 0.00 C ATOM 1750 CD1 ILE A 114 3.666 -6.050 -2.193 1.00 0.00 C ATOM 0 H ILE A 114 2.323 -2.774 -5.423 1.00 0.00 H new ATOM 0 HA ILE A 114 3.796 -5.114 -4.730 1.00 0.00 H new ATOM 0 HB ILE A 114 2.977 -3.541 -3.030 1.00 0.00 H new ATOM 0 HG12 ILE A 114 1.836 -5.185 -1.520 1.00 0.00 H new ATOM 0 HG13 ILE A 114 1.659 -6.275 -2.880 1.00 0.00 H new ATOM 0 HG21 ILE A 114 0.572 -3.377 -2.520 1.00 0.00 H new ATOM 0 HG22 ILE A 114 0.936 -2.805 -4.166 1.00 0.00 H new ATOM 0 HG23 ILE A 114 0.208 -4.410 -3.923 1.00 0.00 H new ATOM 0 HD11 ILE A 114 3.587 -6.893 -1.507 1.00 0.00 H new ATOM 0 HD12 ILE A 114 4.113 -6.385 -3.129 1.00 0.00 H new ATOM 0 HD13 ILE A 114 4.293 -5.278 -1.747 1.00 0.00 H new ATOM 1762 N GLN A 115 0.718 -5.421 -5.883 1.00 0.00 N ATOM 1763 CA GLN A 115 -0.246 -6.371 -6.427 1.00 0.00 C ATOM 1764 C GLN A 115 0.433 -7.353 -7.376 1.00 0.00 C ATOM 1765 O GLN A 115 0.001 -8.497 -7.512 1.00 0.00 O ATOM 1766 CB GLN A 115 -1.367 -5.630 -7.158 1.00 0.00 C ATOM 1767 CG GLN A 115 -2.524 -5.233 -6.256 1.00 0.00 C ATOM 1768 CD GLN A 115 -3.512 -4.313 -6.945 1.00 0.00 C ATOM 1769 OE1 GLN A 115 -3.156 -3.579 -7.867 1.00 0.00 O ATOM 1770 NE2 GLN A 115 -4.763 -4.348 -6.500 1.00 0.00 N ATOM 0 H GLN A 115 0.434 -4.444 -5.954 1.00 0.00 H new ATOM 0 HA GLN A 115 -0.673 -6.933 -5.596 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -0.956 -4.734 -7.623 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -1.744 -6.262 -7.962 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -3.043 -6.131 -5.920 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -2.133 -4.739 -5.366 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -5.014 -4.972 -5.733 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -5.472 -3.751 -6.925 1.00 0.00 H new ATOM 1779 N GLN A 116 1.498 -6.898 -8.029 1.00 0.00 N ATOM 1780 CA GLN A 116 2.236 -7.737 -8.965 1.00 0.00 C ATOM 1781 C GLN A 116 3.530 -8.244 -8.338 1.00 0.00 C ATOM 1782 O GLN A 116 3.869 -9.420 -8.457 1.00 0.00 O ATOM 1783 CB GLN A 116 2.545 -6.959 -10.245 1.00 0.00 C ATOM 1784 CG GLN A 116 1.304 -6.496 -10.991 1.00 0.00 C ATOM 1785 CD GLN A 116 1.560 -6.275 -12.469 1.00 0.00 C ATOM 1786 OE1 GLN A 116 2.058 -7.161 -13.164 1.00 0.00 O ATOM 1787 NE2 GLN A 116 1.219 -5.088 -12.958 1.00 0.00 N ATOM 0 H GLN A 116 1.869 -5.953 -7.927 1.00 0.00 H new ATOM 0 HA GLN A 116 1.613 -8.597 -9.213 1.00 0.00 H new ATOM 0 HB2 GLN A 116 3.153 -6.090 -9.994 1.00 0.00 H new ATOM 0 HB3 GLN A 116 3.143 -7.586 -10.906 1.00 0.00 H new ATOM 0 HG2 GLN A 116 0.514 -7.237 -10.870 1.00 0.00 H new ATOM 0 HG3 GLN A 116 0.942 -5.569 -10.546 1.00 0.00 H new ATOM 0 HE21 GLN A 116 0.809 -4.383 -12.346 1.00 0.00 H new ATOM 0 HE22 GLN A 116 1.367 -4.882 -13.946 1.00 0.00 H new ATOM 1796 N ASN A 117 4.250 -7.347 -7.671 1.00 0.00 N ATOM 1797 CA ASN A 117 5.508 -7.704 -7.027 1.00 0.00 C ATOM 1798 C ASN A 117 5.265 -8.250 -5.623 1.00 0.00 C ATOM 1799 O ASN A 117 6.045 -7.999 -4.703 1.00 0.00 O ATOM 1800 CB ASN A 117 6.433 -6.487 -6.959 1.00 0.00 C ATOM 1801 CG ASN A 117 6.858 -6.006 -8.333 1.00 0.00 C ATOM 1802 OD1 ASN A 117 8.017 -6.147 -8.722 1.00 0.00 O ATOM 1803 ND2 ASN A 117 5.917 -5.434 -9.076 1.00 0.00 N ATOM 0 H ASN A 117 3.983 -6.368 -7.563 1.00 0.00 H new ATOM 0 HA ASN A 117 5.984 -8.482 -7.623 1.00 0.00 H new ATOM 0 HB2 ASN A 117 5.926 -5.677 -6.435 1.00 0.00 H new ATOM 0 HB3 ASN A 117 7.318 -6.739 -6.375 1.00 0.00 H new ATOM 0 HD21 ASN A 117 6.143 -5.091 -10.010 1.00 0.00 H new ATOM 0 HD22 ASN A 117 4.969 -5.338 -8.713 1.00 0.00 H new ATOM 1810 N LEU A 118 4.178 -8.998 -5.466 1.00 0.00 N ATOM 1811 CA LEU A 118 3.831 -9.582 -4.174 1.00 0.00 C ATOM 1812 C LEU A 118 4.660 -10.833 -3.902 1.00 0.00 C ATOM 1813 O LEU A 118 5.373 -10.912 -2.902 1.00 0.00 O ATOM 1814 CB LEU A 118 2.341 -9.923 -4.131 1.00 0.00 C ATOM 1815 CG LEU A 118 1.740 -10.130 -2.740 1.00 0.00 C ATOM 1816 CD1 LEU A 118 2.528 -11.177 -1.969 1.00 0.00 C ATOM 1817 CD2 LEU A 118 1.704 -8.816 -1.974 1.00 0.00 C ATOM 0 H LEU A 118 3.522 -9.214 -6.216 1.00 0.00 H new ATOM 0 HA LEU A 118 4.052 -8.848 -3.399 1.00 0.00 H new ATOM 0 HB2 LEU A 118 1.791 -9.123 -4.627 1.00 0.00 H new ATOM 0 HB3 LEU A 118 2.179 -10.830 -4.713 1.00 0.00 H new ATOM 0 HG LEU A 118 0.717 -10.488 -2.856 1.00 0.00 H new ATOM 0 HD11 LEU A 118 2.086 -11.311 -0.982 1.00 0.00 H new ATOM 0 HD12 LEU A 118 2.502 -12.123 -2.510 1.00 0.00 H new ATOM 0 HD13 LEU A 118 3.562 -10.849 -1.862 1.00 0.00 H new ATOM 0 HD21 LEU A 118 1.273 -8.982 -0.987 1.00 0.00 H new ATOM 0 HD22 LEU A 118 2.717 -8.429 -1.867 1.00 0.00 H new ATOM 0 HD23 LEU A 118 1.095 -8.094 -2.518 1.00 0.00 H new ATOM 1829 N ARG A 119 4.562 -11.808 -4.799 1.00 0.00 N ATOM 1830 CA ARG A 119 5.303 -13.056 -4.656 1.00 0.00 C ATOM 1831 C ARG A 119 6.805 -12.812 -4.770 1.00 0.00 C ATOM 1832 O ARG A 119 7.601 -13.444 -4.076 1.00 0.00 O ATOM 1833 CB ARG A 119 4.857 -14.063 -5.717 1.00 0.00 C ATOM 1834 CG ARG A 119 5.862 -15.176 -5.961 1.00 0.00 C ATOM 1835 CD ARG A 119 5.183 -16.441 -6.463 1.00 0.00 C ATOM 1836 NE ARG A 119 6.125 -17.548 -6.608 1.00 0.00 N ATOM 1837 CZ ARG A 119 6.899 -17.719 -7.674 1.00 0.00 C ATOM 1838 NH1 ARG A 119 6.844 -16.860 -8.682 1.00 0.00 N ATOM 1839 NH2 ARG A 119 7.731 -18.751 -7.732 1.00 0.00 N ATOM 0 H ARG A 119 3.977 -11.758 -5.633 1.00 0.00 H new ATOM 0 HA ARG A 119 5.092 -13.464 -3.667 1.00 0.00 H new ATOM 0 HB2 ARG A 119 3.908 -14.503 -5.412 1.00 0.00 H new ATOM 0 HB3 ARG A 119 4.677 -13.535 -6.654 1.00 0.00 H new ATOM 0 HG2 ARG A 119 6.602 -14.846 -6.690 1.00 0.00 H new ATOM 0 HG3 ARG A 119 6.398 -15.392 -5.037 1.00 0.00 H new ATOM 0 HD2 ARG A 119 4.392 -16.727 -5.770 1.00 0.00 H new ATOM 0 HD3 ARG A 119 4.708 -16.241 -7.424 1.00 0.00 H new ATOM 0 HE ARG A 119 6.192 -18.227 -5.849 1.00 0.00 H new ATOM 0 HH11 ARG A 119 6.206 -16.065 -8.640 1.00 0.00 H new ATOM 0 HH12 ARG A 119 7.440 -16.994 -9.499 1.00 0.00 H new ATOM 0 HH21 ARG A 119 7.776 -19.414 -6.958 1.00 0.00 H new ATOM 0 HH22 ARG A 119 8.325 -18.882 -8.551 1.00 0.00 H new ATOM 1853 N HIS A 120 7.184 -11.892 -5.651 1.00 0.00 N ATOM 1854 CA HIS A 120 8.591 -11.564 -5.856 1.00 0.00 C ATOM 1855 C HIS A 120 9.260 -11.190 -4.537 1.00 0.00 C ATOM 1856 O HIS A 120 10.377 -11.623 -4.252 1.00 0.00 O ATOM 1857 CB HIS A 120 8.728 -10.415 -6.855 1.00 0.00 C ATOM 1858 CG HIS A 120 10.146 -10.114 -7.232 1.00 0.00 C ATOM 1859 ND1 HIS A 120 10.759 -10.649 -8.345 1.00 0.00 N ATOM 1860 CD2 HIS A 120 11.073 -9.328 -6.635 1.00 0.00 C ATOM 1861 CE1 HIS A 120 12.001 -10.206 -8.417 1.00 0.00 C ATOM 1862 NE2 HIS A 120 12.217 -9.402 -7.391 1.00 0.00 N ATOM 0 H HIS A 120 6.538 -11.361 -6.234 1.00 0.00 H new ATOM 0 HA HIS A 120 9.089 -12.446 -6.258 1.00 0.00 H new ATOM 0 HB2 HIS A 120 8.165 -10.659 -7.756 1.00 0.00 H new ATOM 0 HB3 HIS A 120 8.276 -9.519 -6.430 1.00 0.00 H new ATOM 0 HD2 HIS A 120 10.938 -8.750 -5.732 1.00 0.00 H new ATOM 0 HE1 HIS A 120 12.718 -10.458 -9.184 1.00 0.00 H new ATOM 0 HE2 HIS A 120 13.091 -8.915 -7.193 1.00 0.00 H new ATOM 1871 N ILE A 121 8.570 -10.383 -3.738 1.00 0.00 N ATOM 1872 CA ILE A 121 9.097 -9.952 -2.449 1.00 0.00 C ATOM 1873 C ILE A 121 9.133 -11.108 -1.455 1.00 0.00 C ATOM 1874 O ILE A 121 10.124 -11.304 -0.750 1.00 0.00 O ATOM 1875 CB ILE A 121 8.261 -8.804 -1.854 1.00 0.00 C ATOM 1876 CG1 ILE A 121 8.314 -7.578 -2.769 1.00 0.00 C ATOM 1877 CG2 ILE A 121 8.758 -8.453 -0.460 1.00 0.00 C ATOM 1878 CD1 ILE A 121 7.275 -6.530 -2.435 1.00 0.00 C ATOM 0 H ILE A 121 7.645 -10.015 -3.960 1.00 0.00 H new ATOM 0 HA ILE A 121 10.112 -9.597 -2.626 1.00 0.00 H new ATOM 0 HB ILE A 121 7.224 -9.132 -1.776 1.00 0.00 H new ATOM 0 HG12 ILE A 121 9.305 -7.129 -2.705 1.00 0.00 H new ATOM 0 HG13 ILE A 121 8.176 -7.899 -3.802 1.00 0.00 H new ATOM 0 HG21 ILE A 121 8.157 -7.640 -0.053 1.00 0.00 H new ATOM 0 HG22 ILE A 121 8.673 -9.326 0.187 1.00 0.00 H new ATOM 0 HG23 ILE A 121 9.801 -8.141 -0.513 1.00 0.00 H new ATOM 0 HD11 ILE A 121 7.371 -5.690 -3.123 1.00 0.00 H new ATOM 0 HD12 ILE A 121 6.279 -6.963 -2.527 1.00 0.00 H new ATOM 0 HD13 ILE A 121 7.426 -6.181 -1.413 1.00 0.00 H new ATOM 1890 N LEU A 122 8.048 -11.871 -1.405 1.00 0.00 N ATOM 1891 CA LEU A 122 7.955 -13.011 -0.498 1.00 0.00 C ATOM 1892 C LEU A 122 8.640 -14.237 -1.092 1.00 0.00 C ATOM 1893 O LEU A 122 8.147 -15.357 -0.968 1.00 0.00 O ATOM 1894 CB LEU A 122 6.490 -13.328 -0.194 1.00 0.00 C ATOM 1895 CG LEU A 122 5.868 -12.571 0.980 1.00 0.00 C ATOM 1896 CD1 LEU A 122 4.353 -12.704 0.959 1.00 0.00 C ATOM 1897 CD2 LEU A 122 6.432 -13.079 2.299 1.00 0.00 C ATOM 0 H LEU A 122 7.220 -11.722 -1.981 1.00 0.00 H new ATOM 0 HA LEU A 122 8.463 -12.748 0.430 1.00 0.00 H new ATOM 0 HB2 LEU A 122 5.901 -13.120 -1.087 1.00 0.00 H new ATOM 0 HB3 LEU A 122 6.404 -14.397 0.002 1.00 0.00 H new ATOM 0 HG LEU A 122 6.120 -11.515 0.882 1.00 0.00 H new ATOM 0 HD11 LEU A 122 3.928 -12.159 1.802 1.00 0.00 H new ATOM 0 HD12 LEU A 122 3.964 -12.292 0.028 1.00 0.00 H new ATOM 0 HD13 LEU A 122 4.079 -13.756 1.033 1.00 0.00 H new ATOM 0 HD21 LEU A 122 5.979 -12.530 3.124 1.00 0.00 H new ATOM 0 HD22 LEU A 122 6.210 -14.141 2.405 1.00 0.00 H new ATOM 0 HD23 LEU A 122 7.512 -12.931 2.314 1.00 0.00 H new ATOM 1909 N SER A 123 9.782 -14.016 -1.736 1.00 0.00 N ATOM 1910 CA SER A 123 10.535 -15.103 -2.351 1.00 0.00 C ATOM 1911 C SER A 123 11.343 -15.864 -1.305 1.00 0.00 C ATOM 1912 O SER A 123 11.468 -17.087 -1.371 1.00 0.00 O ATOM 1913 CB SER A 123 11.467 -14.557 -3.435 1.00 0.00 C ATOM 1914 OG SER A 123 12.420 -13.664 -2.885 1.00 0.00 O ATOM 0 H SER A 123 10.206 -13.095 -1.845 1.00 0.00 H new ATOM 0 HA SER A 123 9.824 -15.792 -2.807 1.00 0.00 H new ATOM 0 HB2 SER A 123 11.980 -15.383 -3.928 1.00 0.00 H new ATOM 0 HB3 SER A 123 10.881 -14.044 -4.198 1.00 0.00 H new ATOM 0 HG SER A 123 13.005 -13.330 -3.597 1.00 0.00 H new ATOM 1920 N GLN A 124 11.890 -15.131 -0.341 1.00 0.00 N ATOM 1921 CA GLN A 124 12.687 -15.736 0.720 1.00 0.00 C ATOM 1922 C GLN A 124 12.128 -15.378 2.093 1.00 0.00 C ATOM 1923 O GLN A 124 12.598 -14.457 2.761 1.00 0.00 O ATOM 1924 CB GLN A 124 14.143 -15.281 0.615 1.00 0.00 C ATOM 1925 CG GLN A 124 14.779 -15.582 -0.733 1.00 0.00 C ATOM 1926 CD GLN A 124 16.240 -15.181 -0.791 1.00 0.00 C ATOM 1927 OE1 GLN A 124 16.574 -13.998 -0.724 1.00 0.00 O ATOM 1928 NE2 GLN A 124 17.120 -16.167 -0.918 1.00 0.00 N ATOM 0 H GLN A 124 11.796 -14.118 -0.273 1.00 0.00 H new ATOM 0 HA GLN A 124 12.642 -16.819 0.601 1.00 0.00 H new ATOM 0 HB2 GLN A 124 14.194 -14.208 0.800 1.00 0.00 H new ATOM 0 HB3 GLN A 124 14.724 -15.767 1.398 1.00 0.00 H new ATOM 0 HG2 GLN A 124 14.690 -16.648 -0.943 1.00 0.00 H new ATOM 0 HG3 GLN A 124 14.231 -15.057 -1.515 1.00 0.00 H new ATOM 0 HE21 GLN A 124 16.799 -17.134 -0.970 1.00 0.00 H new ATOM 0 HE22 GLN A 124 18.117 -15.958 -0.964 1.00 0.00 H new ATOM 1937 N PRO A 125 11.100 -16.123 2.526 1.00 0.00 N ATOM 1938 CA PRO A 125 10.454 -15.903 3.824 1.00 0.00 C ATOM 1939 C PRO A 125 11.354 -16.290 4.992 1.00 0.00 C ATOM 1940 O PRO A 125 10.946 -16.223 6.150 1.00 0.00 O ATOM 1941 CB PRO A 125 9.227 -16.816 3.768 1.00 0.00 C ATOM 1942 CG PRO A 125 9.595 -17.888 2.802 1.00 0.00 C ATOM 1943 CD PRO A 125 10.488 -17.237 1.782 1.00 0.00 C ATOM 0 HA PRO A 125 10.213 -14.853 3.987 1.00 0.00 H new ATOM 0 HB2 PRO A 125 8.997 -17.230 4.750 1.00 0.00 H new ATOM 0 HB3 PRO A 125 8.343 -16.271 3.437 1.00 0.00 H new ATOM 0 HG2 PRO A 125 10.109 -18.707 3.305 1.00 0.00 H new ATOM 0 HG3 PRO A 125 8.707 -18.310 2.331 1.00 0.00 H new ATOM 0 HD2 PRO A 125 11.240 -17.930 1.406 1.00 0.00 H new ATOM 0 HD3 PRO A 125 9.922 -16.882 0.921 1.00 0.00 H new ATOM 1951 N GLU A 126 12.581 -16.696 4.679 1.00 0.00 N ATOM 1952 CA GLU A 126 13.538 -17.095 5.704 1.00 0.00 C ATOM 1953 C GLU A 126 14.912 -16.491 5.430 1.00 0.00 C ATOM 1954 O GLU A 126 15.223 -16.111 4.300 1.00 0.00 O ATOM 1955 CB GLU A 126 13.643 -18.620 5.770 1.00 0.00 C ATOM 1956 CG GLU A 126 14.297 -19.238 4.547 1.00 0.00 C ATOM 1957 CD GLU A 126 13.306 -19.517 3.433 1.00 0.00 C ATOM 1958 OE1 GLU A 126 12.454 -20.414 3.609 1.00 0.00 O ATOM 1959 OE2 GLU A 126 13.383 -18.841 2.387 1.00 0.00 O ATOM 0 H GLU A 126 12.935 -16.757 3.724 1.00 0.00 H new ATOM 0 HA GLU A 126 13.181 -16.721 6.663 1.00 0.00 H new ATOM 0 HB2 GLU A 126 14.213 -18.899 6.656 1.00 0.00 H new ATOM 0 HB3 GLU A 126 12.644 -19.040 5.889 1.00 0.00 H new ATOM 0 HG2 GLU A 126 15.074 -18.568 4.178 1.00 0.00 H new ATOM 0 HG3 GLU A 126 14.788 -20.168 4.833 1.00 0.00 H new ATOM 1966 N THR A 127 15.733 -16.404 6.472 1.00 0.00 N ATOM 1967 CA THR A 127 17.073 -15.845 6.346 1.00 0.00 C ATOM 1968 C THR A 127 17.027 -14.427 5.790 1.00 0.00 C ATOM 1969 O THR A 127 17.848 -14.049 4.955 1.00 0.00 O ATOM 1970 CB THR A 127 17.960 -16.713 5.433 1.00 0.00 C ATOM 1971 OG1 THR A 127 17.862 -18.089 5.819 1.00 0.00 O ATOM 1972 CG2 THR A 127 19.411 -16.264 5.502 1.00 0.00 C ATOM 0 H THR A 127 15.493 -16.714 7.414 1.00 0.00 H new ATOM 0 HA THR A 127 17.503 -15.826 7.347 1.00 0.00 H new ATOM 0 HB THR A 127 17.609 -16.598 4.407 1.00 0.00 H new ATOM 0 HG1 THR A 127 18.427 -18.634 5.233 1.00 0.00 H new ATOM 0 HG21 THR A 127 20.018 -16.892 4.849 1.00 0.00 H new ATOM 0 HG22 THR A 127 19.486 -15.226 5.179 1.00 0.00 H new ATOM 0 HG23 THR A 127 19.771 -16.352 6.527 1.00 0.00 H new ATOM 1980 N GLY A 128 16.060 -13.643 6.259 1.00 0.00 N ATOM 1981 CA GLY A 128 15.926 -12.274 5.798 1.00 0.00 C ATOM 1982 C GLY A 128 14.491 -11.910 5.471 1.00 0.00 C ATOM 1983 O GLY A 128 14.024 -12.140 4.356 1.00 0.00 O ATOM 0 H GLY A 128 15.368 -13.932 6.950 1.00 0.00 H new ATOM 0 HA2 GLY A 128 16.304 -11.597 6.564 1.00 0.00 H new ATOM 0 HA3 GLY A 128 16.545 -12.130 4.912 1.00 0.00 H new TER 1987 GLY A 128