USER MOD reduce.3.24.130724 H: found=0, std=0, add=936, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 934 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 51 MET CE :methyl 152:sc= -0.71 (180deg=-2.38!) USER MOD Set 1.2: A 91 LYS NZ :NH3+ -117:sc= -0.0988 (180deg=-0.0517) USER MOD Set 2.1: A 54 GLN : amide:sc= -0.697 K(o=-1.6,f=-2.6) USER MOD Set 2.2: A 88 TYR OH : rot 94:sc= -0.934 USER MOD Set 3.1: A 30 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 31 THR OG1 : rot -32:sc= 0.376 USER MOD Single : A 1 GLY N :NH3+ -111:sc= 0.0378 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 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 9 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 11 GLN : amide:sc= -0.0721 K(o=-0.072,f=-0.65) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 HIS : no HE2:sc= -2.94! K(o=-2.9!,f=-1.4) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.0527 USER MOD Single : A 33 GLN : amide:sc=-0.00492 K(o=-0.0049,f=-1.1) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0.00186 K(o=0.0019,f=-0.99) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 GLN : amide:sc= -0.497 K(o=-0.5,f=-1.6) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 130:sc= -0.269 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.0732 K(o=-0.073,f=-1.4!) USER MOD Single : A 61 THR OG1 : rot -52:sc= 1.14 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 35:sc= 0.907 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 ASN : amide:sc= -0.0566 X(o=-0.057,f=0.38) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc=-0.000512 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -7.93! C(o=-7.9!,f=-6.1!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ -118:sc= -0.0066 (180deg=-0.0415) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.0246 K(o=-0.025,f=-1.3) USER MOD Single : A 100 GLN : amide:sc= -0.23 X(o=-0.23,f=-0.52) USER MOD Single : A 102 MET CE :methyl -162:sc= -0.0357 (180deg=-0.413) USER MOD Single : A 104 SER OG : rot -79:sc= -0.0738 USER MOD Single : A 106 SER OG : rot 18:sc= 0.707 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.0186 USER MOD Single : A 111 THR OG1 : rot 175:sc= 0.356 USER MOD Single : A 112 THR OG1 : rot -126:sc= -0.0881 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.096 26.915 4.245 1.00 0.00 N ATOM 2 CA GLY A 1 -20.323 27.076 5.463 1.00 0.00 C ATOM 3 C GLY A 1 -20.085 25.760 6.177 1.00 0.00 C ATOM 4 O GLY A 1 -20.853 24.811 6.016 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.490 27.105 3.421 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.460 25.942 4.191 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.893 27.583 4.249 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.364 27.534 5.223 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.844 27.760 6.133 1.00 0.00 H new ATOM 8 N SER A 2 -19.018 25.702 6.967 1.00 0.00 N ATOM 9 CA SER A 2 -18.678 24.491 7.704 1.00 0.00 C ATOM 10 C SER A 2 -18.528 24.785 9.194 1.00 0.00 C ATOM 11 O SER A 2 -17.459 25.189 9.653 1.00 0.00 O ATOM 12 CB SER A 2 -17.383 23.883 7.160 1.00 0.00 C ATOM 13 OG SER A 2 -17.648 22.995 6.088 1.00 0.00 O ATOM 0 H SER A 2 -18.374 26.479 7.113 1.00 0.00 H new ATOM 0 HA SER A 2 -19.490 23.776 7.572 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.718 24.678 6.822 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.864 23.351 7.957 1.00 0.00 H new ATOM 0 HG SER A 2 -16.805 22.621 5.757 1.00 0.00 H new ATOM 19 N SER A 3 -19.607 24.580 9.942 1.00 0.00 N ATOM 20 CA SER A 3 -19.598 24.827 11.379 1.00 0.00 C ATOM 21 C SER A 3 -18.259 24.426 11.991 1.00 0.00 C ATOM 22 O SER A 3 -17.590 25.234 12.633 1.00 0.00 O ATOM 23 CB SER A 3 -20.733 24.058 12.058 1.00 0.00 C ATOM 24 OG SER A 3 -21.938 24.803 12.037 1.00 0.00 O ATOM 0 H SER A 3 -20.498 24.244 9.577 1.00 0.00 H new ATOM 0 HA SER A 3 -19.746 25.895 11.540 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.883 23.104 11.553 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.459 23.833 13.089 1.00 0.00 H new ATOM 0 HG SER A 3 -22.648 24.289 12.475 1.00 0.00 H new ATOM 30 N GLY A 4 -17.875 23.169 11.787 1.00 0.00 N ATOM 31 CA GLY A 4 -16.619 22.681 12.325 1.00 0.00 C ATOM 32 C GLY A 4 -16.493 21.173 12.226 1.00 0.00 C ATOM 33 O GLY A 4 -16.186 20.637 11.162 1.00 0.00 O ATOM 0 H GLY A 4 -18.411 22.481 11.259 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.792 23.148 11.790 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.533 22.982 13.369 1.00 0.00 H new ATOM 37 N SER A 5 -16.730 20.487 13.340 1.00 0.00 N ATOM 38 CA SER A 5 -16.636 19.032 13.376 1.00 0.00 C ATOM 39 C SER A 5 -18.019 18.402 13.505 1.00 0.00 C ATOM 40 O SER A 5 -18.699 18.573 14.517 1.00 0.00 O ATOM 41 CB SER A 5 -15.749 18.586 14.540 1.00 0.00 C ATOM 42 OG SER A 5 -15.263 17.271 14.335 1.00 0.00 O ATOM 0 H SER A 5 -16.988 20.915 14.229 1.00 0.00 H new ATOM 0 HA SER A 5 -16.189 18.698 12.440 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.911 19.274 14.647 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.316 18.627 15.470 1.00 0.00 H new ATOM 0 HG SER A 5 -14.697 17.010 15.091 1.00 0.00 H new ATOM 48 N SER A 6 -18.429 17.672 12.473 1.00 0.00 N ATOM 49 CA SER A 6 -19.732 17.018 12.468 1.00 0.00 C ATOM 50 C SER A 6 -19.681 15.710 11.684 1.00 0.00 C ATOM 51 O SER A 6 -18.674 15.390 11.054 1.00 0.00 O ATOM 52 CB SER A 6 -20.789 17.946 11.865 1.00 0.00 C ATOM 53 OG SER A 6 -20.705 17.964 10.451 1.00 0.00 O ATOM 0 H SER A 6 -17.877 17.519 11.629 1.00 0.00 H new ATOM 0 HA SER A 6 -20.002 16.792 13.500 1.00 0.00 H new ATOM 0 HB2 SER A 6 -21.783 17.617 12.169 1.00 0.00 H new ATOM 0 HB3 SER A 6 -20.655 18.956 12.253 1.00 0.00 H new ATOM 0 HG SER A 6 -21.392 18.563 10.090 1.00 0.00 H new ATOM 59 N GLY A 7 -20.777 14.958 11.729 1.00 0.00 N ATOM 60 CA GLY A 7 -20.837 13.693 11.019 1.00 0.00 C ATOM 61 C GLY A 7 -21.954 13.655 9.995 1.00 0.00 C ATOM 62 O GLY A 7 -22.573 12.613 9.780 1.00 0.00 O ATOM 0 H GLY A 7 -21.623 15.202 12.244 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -19.885 13.515 10.520 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -20.978 12.884 11.736 1.00 0.00 H new ATOM 66 N ARG A 8 -22.214 14.795 9.363 1.00 0.00 N ATOM 67 CA ARG A 8 -23.266 14.888 8.359 1.00 0.00 C ATOM 68 C ARG A 8 -22.714 14.606 6.965 1.00 0.00 C ATOM 69 O ARG A 8 -23.296 13.838 6.200 1.00 0.00 O ATOM 70 CB ARG A 8 -23.911 16.275 8.392 1.00 0.00 C ATOM 71 CG ARG A 8 -24.692 16.553 9.666 1.00 0.00 C ATOM 72 CD ARG A 8 -25.303 17.946 9.652 1.00 0.00 C ATOM 73 NE ARG A 8 -26.537 17.994 8.872 1.00 0.00 N ATOM 74 CZ ARG A 8 -27.695 17.499 9.297 1.00 0.00 C ATOM 75 NH1 ARG A 8 -27.776 16.922 10.488 1.00 0.00 N ATOM 76 NH2 ARG A 8 -28.774 17.582 8.530 1.00 0.00 N ATOM 0 H ARG A 8 -21.711 15.666 9.529 1.00 0.00 H new ATOM 0 HA ARG A 8 -24.022 14.137 8.591 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -23.134 17.031 8.280 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -24.579 16.376 7.537 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -25.481 15.810 9.780 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -24.032 16.452 10.528 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -25.508 18.262 10.675 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -24.584 18.653 9.238 1.00 0.00 H new ATOM 0 HE ARG A 8 -26.509 18.431 7.951 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -26.948 16.857 11.081 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -28.666 16.543 10.812 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -28.715 18.026 7.614 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -29.662 17.202 8.857 1.00 0.00 H new ATOM 90 N GLN A 9 -21.587 15.234 6.642 1.00 0.00 N ATOM 91 CA GLN A 9 -20.958 15.050 5.340 1.00 0.00 C ATOM 92 C GLN A 9 -20.223 13.715 5.273 1.00 0.00 C ATOM 93 O GLN A 9 -19.508 13.436 4.311 1.00 0.00 O ATOM 94 CB GLN A 9 -19.985 16.196 5.055 1.00 0.00 C ATOM 95 CG GLN A 9 -19.326 16.108 3.687 1.00 0.00 C ATOM 96 CD GLN A 9 -18.655 17.405 3.279 1.00 0.00 C ATOM 97 OE1 GLN A 9 -18.406 18.278 4.111 1.00 0.00 O ATOM 98 NE2 GLN A 9 -18.358 17.538 1.991 1.00 0.00 N ATOM 0 H GLN A 9 -21.092 15.874 7.264 1.00 0.00 H new ATOM 0 HA GLN A 9 -21.742 15.050 4.583 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -20.519 17.143 5.132 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -19.211 16.204 5.822 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -18.586 15.307 3.695 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -20.076 15.842 2.943 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -18.582 16.789 1.336 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -17.906 18.389 1.657 1.00 0.00 H new ATOM 107 N VAL A 10 -20.405 12.893 6.302 1.00 0.00 N ATOM 108 CA VAL A 10 -19.761 11.587 6.360 1.00 0.00 C ATOM 109 C VAL A 10 -20.316 10.652 5.291 1.00 0.00 C ATOM 110 O VAL A 10 -19.561 9.983 4.587 1.00 0.00 O ATOM 111 CB VAL A 10 -19.942 10.933 7.742 1.00 0.00 C ATOM 112 CG1 VAL A 10 -21.387 10.504 7.945 1.00 0.00 C ATOM 113 CG2 VAL A 10 -19.000 9.749 7.899 1.00 0.00 C ATOM 0 H VAL A 10 -20.993 13.109 7.107 1.00 0.00 H new ATOM 0 HA VAL A 10 -18.698 11.750 6.180 1.00 0.00 H new ATOM 0 HB VAL A 10 -19.695 11.669 8.507 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -21.495 10.044 8.927 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -22.038 11.376 7.879 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -21.665 9.784 7.175 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -19.142 9.299 8.882 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -19.213 9.010 7.127 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -17.969 10.089 7.801 1.00 0.00 H new ATOM 123 N GLN A 11 -21.639 10.614 5.176 1.00 0.00 N ATOM 124 CA GLN A 11 -22.295 9.761 4.192 1.00 0.00 C ATOM 125 C GLN A 11 -22.344 10.441 2.828 1.00 0.00 C ATOM 126 O GLN A 11 -23.009 9.964 1.908 1.00 0.00 O ATOM 127 CB GLN A 11 -23.711 9.411 4.652 1.00 0.00 C ATOM 128 CG GLN A 11 -23.761 8.275 5.661 1.00 0.00 C ATOM 129 CD GLN A 11 -25.096 7.559 5.668 1.00 0.00 C ATOM 130 OE1 GLN A 11 -25.679 7.296 4.616 1.00 0.00 O ATOM 131 NE2 GLN A 11 -25.590 7.238 6.859 1.00 0.00 N ATOM 0 H GLN A 11 -22.278 11.163 5.751 1.00 0.00 H new ATOM 0 HA GLN A 11 -21.714 8.844 4.099 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -24.170 10.296 5.092 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -24.310 9.140 3.782 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -22.970 7.559 5.436 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -23.560 8.670 6.657 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -25.074 7.475 7.706 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -26.486 6.755 6.926 1.00 0.00 H new ATOM 140 N LYS A 12 -21.636 11.559 2.704 1.00 0.00 N ATOM 141 CA LYS A 12 -21.598 12.306 1.452 1.00 0.00 C ATOM 142 C LYS A 12 -20.193 12.301 0.859 1.00 0.00 C ATOM 143 O LYS A 12 -20.003 11.951 -0.305 1.00 0.00 O ATOM 144 CB LYS A 12 -22.062 13.746 1.679 1.00 0.00 C ATOM 145 CG LYS A 12 -22.668 14.392 0.446 1.00 0.00 C ATOM 146 CD LYS A 12 -21.597 14.962 -0.469 1.00 0.00 C ATOM 147 CE LYS A 12 -22.192 15.478 -1.770 1.00 0.00 C ATOM 148 NZ LYS A 12 -21.341 16.531 -2.390 1.00 0.00 N ATOM 0 H LYS A 12 -21.081 11.968 3.456 1.00 0.00 H new ATOM 0 HA LYS A 12 -22.273 11.820 0.747 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -22.797 13.759 2.484 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -21.214 14.344 2.012 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -23.259 13.655 -0.099 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -23.350 15.187 0.749 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -21.075 15.772 0.040 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -20.856 14.193 -0.686 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -22.311 14.650 -2.468 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -23.187 15.880 -1.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -21.781 16.857 -3.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -21.248 17.333 -1.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -20.399 16.140 -2.595 1.00 0.00 H new ATOM 162 N GLU A 13 -19.212 12.689 1.668 1.00 0.00 N ATOM 163 CA GLU A 13 -17.824 12.729 1.222 1.00 0.00 C ATOM 164 C GLU A 13 -17.227 11.325 1.179 1.00 0.00 C ATOM 165 O GLU A 13 -16.535 10.962 0.227 1.00 0.00 O ATOM 166 CB GLU A 13 -16.993 13.621 2.146 1.00 0.00 C ATOM 167 CG GLU A 13 -15.498 13.362 2.058 1.00 0.00 C ATOM 168 CD GLU A 13 -14.685 14.371 2.846 1.00 0.00 C ATOM 169 OE1 GLU A 13 -14.913 14.492 4.068 1.00 0.00 O ATOM 170 OE2 GLU A 13 -13.820 15.039 2.241 1.00 0.00 O ATOM 0 H GLU A 13 -19.353 12.980 2.635 1.00 0.00 H new ATOM 0 HA GLU A 13 -17.804 13.145 0.215 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -17.188 14.665 1.901 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -17.320 13.469 3.175 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.284 12.359 2.428 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -15.189 13.388 1.013 1.00 0.00 H new ATOM 177 N LEU A 14 -17.499 10.541 2.216 1.00 0.00 N ATOM 178 CA LEU A 14 -16.988 9.177 2.298 1.00 0.00 C ATOM 179 C LEU A 14 -16.957 8.523 0.920 1.00 0.00 C ATOM 180 O LEU A 14 -15.889 8.296 0.354 1.00 0.00 O ATOM 181 CB LEU A 14 -17.850 8.345 3.250 1.00 0.00 C ATOM 182 CG LEU A 14 -17.543 6.848 3.300 1.00 0.00 C ATOM 183 CD1 LEU A 14 -16.476 6.557 4.343 1.00 0.00 C ATOM 184 CD2 LEU A 14 -18.807 6.054 3.590 1.00 0.00 C ATOM 0 H LEU A 14 -18.070 10.826 3.012 1.00 0.00 H new ATOM 0 HA LEU A 14 -15.969 9.220 2.683 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -17.741 8.751 4.255 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -18.895 8.472 2.966 1.00 0.00 H new ATOM 0 HG LEU A 14 -17.162 6.542 2.326 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -16.270 5.487 4.364 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -15.563 7.097 4.090 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -16.828 6.879 5.323 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -18.569 4.991 3.622 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -19.218 6.363 4.551 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -19.541 6.238 2.805 1.00 0.00 H new ATOM 196 N GLY A 15 -18.137 8.224 0.385 1.00 0.00 N ATOM 197 CA GLY A 15 -18.223 7.601 -0.923 1.00 0.00 C ATOM 198 C GLY A 15 -17.706 8.501 -2.028 1.00 0.00 C ATOM 199 O GLY A 15 -16.772 8.142 -2.745 1.00 0.00 O ATOM 0 H GLY A 15 -19.035 8.402 0.834 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -17.652 6.672 -0.918 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -19.260 7.337 -1.129 1.00 0.00 H new ATOM 203 N ASP A 16 -18.316 9.673 -2.167 1.00 0.00 N ATOM 204 CA ASP A 16 -17.913 10.627 -3.194 1.00 0.00 C ATOM 205 C ASP A 16 -16.408 10.566 -3.432 1.00 0.00 C ATOM 206 O ASP A 16 -15.949 10.549 -4.575 1.00 0.00 O ATOM 207 CB ASP A 16 -18.321 12.045 -2.791 1.00 0.00 C ATOM 208 CG ASP A 16 -17.478 13.106 -3.471 1.00 0.00 C ATOM 209 OD1 ASP A 16 -17.402 13.095 -4.718 1.00 0.00 O ATOM 210 OD2 ASP A 16 -16.894 13.946 -2.756 1.00 0.00 O ATOM 0 H ASP A 16 -19.091 9.985 -1.582 1.00 0.00 H new ATOM 0 HA ASP A 16 -18.420 10.361 -4.121 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -19.370 12.203 -3.042 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -18.232 12.152 -1.710 1.00 0.00 H new ATOM 215 N VAL A 17 -15.643 10.534 -2.345 1.00 0.00 N ATOM 216 CA VAL A 17 -14.189 10.475 -2.435 1.00 0.00 C ATOM 217 C VAL A 17 -13.734 9.217 -3.166 1.00 0.00 C ATOM 218 O VAL A 17 -14.246 8.124 -2.921 1.00 0.00 O ATOM 219 CB VAL A 17 -13.538 10.508 -1.040 1.00 0.00 C ATOM 220 CG1 VAL A 17 -12.023 10.434 -1.155 1.00 0.00 C ATOM 221 CG2 VAL A 17 -13.964 11.758 -0.284 1.00 0.00 C ATOM 0 H VAL A 17 -16.006 10.548 -1.392 1.00 0.00 H new ATOM 0 HA VAL A 17 -13.871 11.353 -2.997 1.00 0.00 H new ATOM 0 HB VAL A 17 -13.878 9.638 -0.479 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -11.581 10.459 -0.159 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -11.741 9.507 -1.654 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -11.660 11.283 -1.734 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -13.495 11.766 0.700 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -13.655 12.643 -0.840 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -15.048 11.762 -0.169 1.00 0.00 H new ATOM 231 N LEU A 18 -12.770 9.377 -4.065 1.00 0.00 N ATOM 232 CA LEU A 18 -12.244 8.254 -4.833 1.00 0.00 C ATOM 233 C LEU A 18 -10.837 7.889 -4.371 1.00 0.00 C ATOM 234 O LEU A 18 -9.962 8.750 -4.271 1.00 0.00 O ATOM 235 CB LEU A 18 -12.232 8.591 -6.325 1.00 0.00 C ATOM 236 CG LEU A 18 -11.907 7.435 -7.272 1.00 0.00 C ATOM 237 CD1 LEU A 18 -12.582 7.643 -8.619 1.00 0.00 C ATOM 238 CD2 LEU A 18 -10.402 7.293 -7.443 1.00 0.00 C ATOM 0 H LEU A 18 -12.336 10.275 -4.280 1.00 0.00 H new ATOM 0 HA LEU A 18 -12.895 7.396 -4.666 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -13.209 8.991 -6.594 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.505 9.386 -6.492 1.00 0.00 H new ATOM 0 HG LEU A 18 -12.291 6.513 -6.835 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -12.340 6.811 -9.280 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -13.662 7.694 -8.481 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -12.229 8.574 -9.063 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.189 6.466 -8.120 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.994 8.215 -7.857 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -9.943 7.096 -6.474 1.00 0.00 H new ATOM 250 N VAL A 19 -10.625 6.607 -4.092 1.00 0.00 N ATOM 251 CA VAL A 19 -9.323 6.127 -3.644 1.00 0.00 C ATOM 252 C VAL A 19 -8.617 5.343 -4.745 1.00 0.00 C ATOM 253 O VAL A 19 -9.029 4.236 -5.094 1.00 0.00 O ATOM 254 CB VAL A 19 -9.453 5.234 -2.396 1.00 0.00 C ATOM 255 CG1 VAL A 19 -8.088 4.722 -1.961 1.00 0.00 C ATOM 256 CG2 VAL A 19 -10.130 5.995 -1.266 1.00 0.00 C ATOM 0 H VAL A 19 -11.338 5.882 -4.168 1.00 0.00 H new ATOM 0 HA VAL A 19 -8.731 7.007 -3.392 1.00 0.00 H new ATOM 0 HB VAL A 19 -10.074 4.374 -2.649 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -8.200 4.093 -1.078 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.644 4.139 -2.768 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -7.441 5.567 -1.725 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -10.214 5.349 -0.392 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -9.537 6.874 -1.013 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -11.125 6.308 -1.583 1.00 0.00 H new ATOM 266 N ARG A 20 -7.552 5.923 -5.288 1.00 0.00 N ATOM 267 CA ARG A 20 -6.789 5.279 -6.350 1.00 0.00 C ATOM 268 C ARG A 20 -5.576 4.549 -5.782 1.00 0.00 C ATOM 269 O ARG A 20 -4.520 5.148 -5.572 1.00 0.00 O ATOM 270 CB ARG A 20 -6.338 6.314 -7.383 1.00 0.00 C ATOM 271 CG ARG A 20 -6.220 5.757 -8.792 1.00 0.00 C ATOM 272 CD ARG A 20 -5.031 4.818 -8.922 1.00 0.00 C ATOM 273 NE ARG A 20 -3.780 5.544 -9.127 1.00 0.00 N ATOM 274 CZ ARG A 20 -3.407 6.049 -10.297 1.00 0.00 C ATOM 275 NH1 ARG A 20 -4.185 5.909 -11.362 1.00 0.00 N ATOM 276 NH2 ARG A 20 -2.254 6.698 -10.404 1.00 0.00 N ATOM 0 H ARG A 20 -7.198 6.838 -5.010 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.436 4.549 -6.836 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.046 7.143 -7.387 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.373 6.720 -7.080 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.135 5.225 -9.052 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.116 6.578 -9.501 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.952 4.206 -8.023 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.196 4.137 -9.757 1.00 0.00 H new ATOM 0 HE ARG A 20 -3.159 5.670 -8.328 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.072 5.412 -11.284 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -3.896 6.298 -12.259 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -1.654 6.809 -9.587 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -1.968 7.086 -11.303 1.00 0.00 H new ATOM 290 N LEU A 21 -5.733 3.254 -5.535 1.00 0.00 N ATOM 291 CA LEU A 21 -4.651 2.441 -4.991 1.00 0.00 C ATOM 292 C LEU A 21 -3.581 2.181 -6.047 1.00 0.00 C ATOM 293 O LEU A 21 -3.888 1.788 -7.173 1.00 0.00 O ATOM 294 CB LEU A 21 -5.198 1.113 -4.465 1.00 0.00 C ATOM 295 CG LEU A 21 -4.497 0.538 -3.234 1.00 0.00 C ATOM 296 CD1 LEU A 21 -5.438 -0.374 -2.462 1.00 0.00 C ATOM 297 CD2 LEU A 21 -3.237 -0.212 -3.640 1.00 0.00 C ATOM 0 H LEU A 21 -6.600 2.743 -5.703 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.196 2.991 -4.167 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.254 1.246 -4.228 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.142 0.377 -5.267 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.210 1.364 -2.583 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.922 -0.774 -1.589 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.311 0.193 -2.139 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.756 -1.196 -3.104 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.751 -0.615 -2.751 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.500 -1.029 -4.311 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.556 0.470 -4.149 1.00 0.00 H new ATOM 309 N HIS A 22 -2.324 2.401 -5.675 1.00 0.00 N ATOM 310 CA HIS A 22 -1.208 2.188 -6.589 1.00 0.00 C ATOM 311 C HIS A 22 -0.576 0.817 -6.365 1.00 0.00 C ATOM 312 O HIS A 22 -0.452 0.359 -5.230 1.00 0.00 O ATOM 313 CB HIS A 22 -0.156 3.283 -6.408 1.00 0.00 C ATOM 314 CG HIS A 22 -0.693 4.667 -6.605 1.00 0.00 C ATOM 315 ND1 HIS A 22 -0.183 5.546 -7.538 1.00 0.00 N ATOM 316 CD2 HIS A 22 -1.702 5.322 -5.985 1.00 0.00 C ATOM 317 CE1 HIS A 22 -0.854 6.682 -7.481 1.00 0.00 C ATOM 318 NE2 HIS A 22 -1.781 6.573 -6.547 1.00 0.00 N ATOM 0 H HIS A 22 -2.053 2.727 -4.747 1.00 0.00 H new ATOM 0 HA HIS A 22 -1.593 2.229 -7.608 1.00 0.00 H new ATOM 0 HB2 HIS A 22 0.269 3.206 -5.407 1.00 0.00 H new ATOM 0 HB3 HIS A 22 0.658 3.114 -7.113 1.00 0.00 H new ATOM 0 HD1 HIS A 22 0.591 5.349 -8.172 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -2.328 4.934 -5.196 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -0.675 7.553 -8.094 1.00 0.00 H new ATOM 327 N ASN A 23 -0.180 0.168 -7.455 1.00 0.00 N ATOM 328 CA ASN A 23 0.437 -1.151 -7.377 1.00 0.00 C ATOM 329 C ASN A 23 1.300 -1.275 -6.125 1.00 0.00 C ATOM 330 O ASN A 23 2.221 -0.491 -5.896 1.00 0.00 O ATOM 331 CB ASN A 23 1.286 -1.414 -8.623 1.00 0.00 C ATOM 332 CG ASN A 23 1.760 -2.852 -8.706 1.00 0.00 C ATOM 333 OD1 ASN A 23 1.045 -3.726 -9.196 1.00 0.00 O ATOM 334 ND2 ASN A 23 2.973 -3.104 -8.225 1.00 0.00 N ATOM 0 H ASN A 23 -0.275 0.534 -8.402 1.00 0.00 H new ATOM 0 HA ASN A 23 -0.359 -1.894 -7.323 1.00 0.00 H new ATOM 0 HB2 ASN A 23 0.704 -1.174 -9.513 1.00 0.00 H new ATOM 0 HB3 ASN A 23 2.150 -0.749 -8.618 1.00 0.00 H new ATOM 0 HD21 ASN A 23 3.346 -4.053 -8.253 1.00 0.00 H new ATOM 0 HD22 ASN A 23 3.531 -2.348 -7.828 1.00 0.00 H new ATOM 341 N PRO A 24 0.996 -2.283 -5.294 1.00 0.00 N ATOM 342 CA PRO A 24 1.733 -2.534 -4.052 1.00 0.00 C ATOM 343 C PRO A 24 3.147 -3.042 -4.309 1.00 0.00 C ATOM 344 O PRO A 24 3.365 -4.241 -4.485 1.00 0.00 O ATOM 345 CB PRO A 24 0.896 -3.610 -3.355 1.00 0.00 C ATOM 346 CG PRO A 24 0.176 -4.304 -4.459 1.00 0.00 C ATOM 347 CD PRO A 24 -0.089 -3.256 -5.504 1.00 0.00 C ATOM 0 HA PRO A 24 1.861 -1.626 -3.463 1.00 0.00 H new ATOM 0 HB2 PRO A 24 1.526 -4.302 -2.797 1.00 0.00 H new ATOM 0 HB3 PRO A 24 0.198 -3.169 -2.643 1.00 0.00 H new ATOM 0 HG2 PRO A 24 0.777 -5.118 -4.866 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -0.755 -4.743 -4.102 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -0.063 -3.676 -6.510 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -1.070 -2.798 -5.375 1.00 0.00 H new ATOM 355 N VAL A 25 4.107 -2.123 -4.329 1.00 0.00 N ATOM 356 CA VAL A 25 5.502 -2.478 -4.563 1.00 0.00 C ATOM 357 C VAL A 25 5.989 -3.495 -3.537 1.00 0.00 C ATOM 358 O VAL A 25 5.837 -3.298 -2.331 1.00 0.00 O ATOM 359 CB VAL A 25 6.413 -1.238 -4.513 1.00 0.00 C ATOM 360 CG1 VAL A 25 7.875 -1.644 -4.622 1.00 0.00 C ATOM 361 CG2 VAL A 25 6.040 -0.258 -5.616 1.00 0.00 C ATOM 0 H VAL A 25 3.944 -1.126 -4.186 1.00 0.00 H new ATOM 0 HA VAL A 25 5.554 -2.917 -5.559 1.00 0.00 H new ATOM 0 HB VAL A 25 6.269 -0.742 -3.553 1.00 0.00 H new ATOM 0 HG11 VAL A 25 8.503 -0.754 -4.585 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.132 -2.305 -3.794 1.00 0.00 H new ATOM 0 HG13 VAL A 25 8.039 -2.165 -5.566 1.00 0.00 H new ATOM 0 HG21 VAL A 25 6.694 0.613 -5.566 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.154 -0.742 -6.586 1.00 0.00 H new ATOM 0 HG23 VAL A 25 5.005 0.058 -5.487 1.00 0.00 H new ATOM 371 N VAL A 26 6.577 -4.583 -4.024 1.00 0.00 N ATOM 372 CA VAL A 26 7.089 -5.632 -3.150 1.00 0.00 C ATOM 373 C VAL A 26 8.551 -5.386 -2.794 1.00 0.00 C ATOM 374 O VAL A 26 9.431 -5.458 -3.653 1.00 0.00 O ATOM 375 CB VAL A 26 6.957 -7.021 -3.802 1.00 0.00 C ATOM 376 CG1 VAL A 26 7.416 -6.976 -5.252 1.00 0.00 C ATOM 377 CG2 VAL A 26 7.749 -8.055 -3.016 1.00 0.00 C ATOM 0 H VAL A 26 6.711 -4.761 -5.019 1.00 0.00 H new ATOM 0 HA VAL A 26 6.488 -5.608 -2.241 1.00 0.00 H new ATOM 0 HB VAL A 26 5.907 -7.312 -3.787 1.00 0.00 H new ATOM 0 HG11 VAL A 26 7.316 -7.966 -5.696 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.802 -6.266 -5.806 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.459 -6.664 -5.294 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.645 -9.031 -3.490 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.801 -7.771 -2.998 1.00 0.00 H new ATOM 0 HG23 VAL A 26 7.369 -8.105 -1.995 1.00 0.00 H new ATOM 387 N LEU A 27 8.804 -5.095 -1.523 1.00 0.00 N ATOM 388 CA LEU A 27 10.161 -4.839 -1.052 1.00 0.00 C ATOM 389 C LEU A 27 10.862 -6.140 -0.676 1.00 0.00 C ATOM 390 O LEU A 27 11.969 -6.418 -1.137 1.00 0.00 O ATOM 391 CB LEU A 27 10.134 -3.894 0.150 1.00 0.00 C ATOM 392 CG LEU A 27 9.393 -2.572 -0.051 1.00 0.00 C ATOM 393 CD1 LEU A 27 10.039 -1.762 -1.164 1.00 0.00 C ATOM 394 CD2 LEU A 27 7.924 -2.825 -0.357 1.00 0.00 C ATOM 0 H LEU A 27 8.088 -5.030 -0.800 1.00 0.00 H new ATOM 0 HA LEU A 27 10.718 -4.370 -1.863 1.00 0.00 H new ATOM 0 HB2 LEU A 27 9.678 -4.419 0.989 1.00 0.00 H new ATOM 0 HB3 LEU A 27 11.162 -3.671 0.435 1.00 0.00 H new ATOM 0 HG LEU A 27 9.457 -1.998 0.873 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.498 -0.824 -1.293 1.00 0.00 H new ATOM 0 HD12 LEU A 27 11.076 -1.550 -0.905 1.00 0.00 H new ATOM 0 HD13 LEU A 27 10.006 -2.330 -2.094 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.412 -1.873 -0.497 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.839 -3.420 -1.266 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.467 -3.364 0.473 1.00 0.00 H new ATOM 406 N THR A 28 10.208 -6.937 0.164 1.00 0.00 N ATOM 407 CA THR A 28 10.768 -8.209 0.602 1.00 0.00 C ATOM 408 C THR A 28 9.710 -9.307 0.595 1.00 0.00 C ATOM 409 O THR A 28 8.507 -9.043 0.586 1.00 0.00 O ATOM 410 CB THR A 28 11.370 -8.102 2.016 1.00 0.00 C ATOM 411 OG1 THR A 28 10.686 -7.090 2.764 1.00 0.00 O ATOM 412 CG2 THR A 28 12.854 -7.773 1.948 1.00 0.00 C ATOM 0 H THR A 28 9.290 -6.723 0.554 1.00 0.00 H new ATOM 0 HA THR A 28 11.559 -8.465 -0.103 1.00 0.00 H new ATOM 0 HB THR A 28 11.249 -9.065 2.513 1.00 0.00 H new ATOM 0 HG1 THR A 28 11.073 -7.029 3.662 1.00 0.00 H new ATOM 0 HG21 THR A 28 13.258 -7.702 2.958 1.00 0.00 H new ATOM 0 HG22 THR A 28 13.376 -8.559 1.403 1.00 0.00 H new ATOM 0 HG23 THR A 28 12.993 -6.822 1.435 1.00 0.00 H new ATOM 420 N PRO A 29 10.165 -10.568 0.600 1.00 0.00 N ATOM 421 CA PRO A 29 9.273 -11.731 0.595 1.00 0.00 C ATOM 422 C PRO A 29 8.524 -11.893 1.913 1.00 0.00 C ATOM 423 O PRO A 29 7.792 -12.864 2.110 1.00 0.00 O ATOM 424 CB PRO A 29 10.226 -12.909 0.374 1.00 0.00 C ATOM 425 CG PRO A 29 11.540 -12.434 0.889 1.00 0.00 C ATOM 426 CD PRO A 29 11.585 -10.957 0.611 1.00 0.00 C ATOM 0 HA PRO A 29 8.496 -11.645 -0.165 1.00 0.00 H new ATOM 0 HB2 PRO A 29 9.889 -13.797 0.909 1.00 0.00 H new ATOM 0 HB3 PRO A 29 10.287 -13.176 -0.681 1.00 0.00 H new ATOM 0 HG2 PRO A 29 11.636 -12.633 1.956 1.00 0.00 H new ATOM 0 HG3 PRO A 29 12.363 -12.950 0.393 1.00 0.00 H new ATOM 0 HD2 PRO A 29 12.143 -10.421 1.379 1.00 0.00 H new ATOM 0 HD3 PRO A 29 12.068 -10.742 -0.342 1.00 0.00 H new ATOM 434 N THR A 30 8.710 -10.935 2.816 1.00 0.00 N ATOM 435 CA THR A 30 8.053 -10.971 4.116 1.00 0.00 C ATOM 436 C THR A 30 7.421 -9.624 4.450 1.00 0.00 C ATOM 437 O THR A 30 6.958 -9.404 5.570 1.00 0.00 O ATOM 438 CB THR A 30 9.041 -11.353 5.235 1.00 0.00 C ATOM 439 OG1 THR A 30 10.173 -10.476 5.209 1.00 0.00 O ATOM 440 CG2 THR A 30 9.504 -12.793 5.078 1.00 0.00 C ATOM 0 H THR A 30 9.311 -10.124 2.670 1.00 0.00 H new ATOM 0 HA THR A 30 7.273 -11.730 4.055 1.00 0.00 H new ATOM 0 HB THR A 30 8.529 -11.255 6.192 1.00 0.00 H new ATOM 0 HG1 THR A 30 10.795 -10.724 5.924 1.00 0.00 H new ATOM 0 HG21 THR A 30 10.201 -13.041 5.879 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.643 -13.459 5.127 1.00 0.00 H new ATOM 0 HG23 THR A 30 10.001 -12.913 4.115 1.00 0.00 H new ATOM 448 N THR A 31 7.403 -8.725 3.471 1.00 0.00 N ATOM 449 CA THR A 31 6.828 -7.399 3.662 1.00 0.00 C ATOM 450 C THR A 31 6.475 -6.756 2.326 1.00 0.00 C ATOM 451 O THR A 31 7.034 -7.110 1.288 1.00 0.00 O ATOM 452 CB THR A 31 7.792 -6.473 4.426 1.00 0.00 C ATOM 453 OG1 THR A 31 8.369 -7.173 5.534 1.00 0.00 O ATOM 454 CG2 THR A 31 7.068 -5.232 4.926 1.00 0.00 C ATOM 0 H THR A 31 7.780 -8.891 2.538 1.00 0.00 H new ATOM 0 HA THR A 31 5.920 -7.530 4.251 1.00 0.00 H new ATOM 0 HB THR A 31 8.582 -6.163 3.741 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.724 -7.824 5.882 1.00 0.00 H new ATOM 0 HG21 THR A 31 7.769 -4.593 5.463 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.655 -4.686 4.078 1.00 0.00 H new ATOM 0 HG23 THR A 31 6.260 -5.527 5.596 1.00 0.00 H new ATOM 462 N VAL A 32 5.544 -5.808 2.358 1.00 0.00 N ATOM 463 CA VAL A 32 5.118 -5.113 1.149 1.00 0.00 C ATOM 464 C VAL A 32 4.575 -3.726 1.475 1.00 0.00 C ATOM 465 O VAL A 32 3.770 -3.564 2.391 1.00 0.00 O ATOM 466 CB VAL A 32 4.039 -5.911 0.394 1.00 0.00 C ATOM 467 CG1 VAL A 32 3.516 -5.113 -0.791 1.00 0.00 C ATOM 468 CG2 VAL A 32 4.589 -7.255 -0.058 1.00 0.00 C ATOM 0 H VAL A 32 5.070 -5.504 3.208 1.00 0.00 H new ATOM 0 HA VAL A 32 5.998 -5.015 0.513 1.00 0.00 H new ATOM 0 HB VAL A 32 3.206 -6.095 1.073 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.754 -5.693 -1.312 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.081 -4.178 -0.437 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.337 -4.895 -1.474 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.813 -7.805 -0.590 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.440 -7.096 -0.721 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.909 -7.828 0.812 1.00 0.00 H new ATOM 478 N GLN A 33 5.020 -2.729 0.717 1.00 0.00 N ATOM 479 CA GLN A 33 4.578 -1.355 0.926 1.00 0.00 C ATOM 480 C GLN A 33 3.302 -1.069 0.142 1.00 0.00 C ATOM 481 O GLN A 33 3.234 -1.311 -1.063 1.00 0.00 O ATOM 482 CB GLN A 33 5.677 -0.375 0.510 1.00 0.00 C ATOM 483 CG GLN A 33 5.300 1.083 0.715 1.00 0.00 C ATOM 484 CD GLN A 33 6.158 2.028 -0.103 1.00 0.00 C ATOM 485 OE1 GLN A 33 7.153 1.619 -0.704 1.00 0.00 O ATOM 486 NE2 GLN A 33 5.778 3.300 -0.132 1.00 0.00 N ATOM 0 H GLN A 33 5.686 -2.847 -0.047 1.00 0.00 H new ATOM 0 HA GLN A 33 4.367 -1.225 1.987 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.581 -0.592 1.080 1.00 0.00 H new ATOM 0 HB3 GLN A 33 5.917 -0.536 -0.541 1.00 0.00 H new ATOM 0 HG2 GLN A 33 4.253 1.225 0.447 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.395 1.334 1.771 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.947 3.596 0.380 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.317 3.981 -0.667 1.00 0.00 H new ATOM 495 N VAL A 34 2.292 -0.552 0.834 1.00 0.00 N ATOM 496 CA VAL A 34 1.017 -0.232 0.202 1.00 0.00 C ATOM 497 C VAL A 34 0.801 1.276 0.133 1.00 0.00 C ATOM 498 O VAL A 34 1.035 1.993 1.106 1.00 0.00 O ATOM 499 CB VAL A 34 -0.161 -0.874 0.958 1.00 0.00 C ATOM 500 CG1 VAL A 34 -1.478 -0.555 0.266 1.00 0.00 C ATOM 501 CG2 VAL A 34 0.038 -2.377 1.076 1.00 0.00 C ATOM 0 H VAL A 34 2.332 -0.346 1.832 1.00 0.00 H new ATOM 0 HA VAL A 34 1.054 -0.638 -0.809 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.196 -0.455 1.964 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.299 -1.017 0.815 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.622 0.525 0.239 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.458 -0.944 -0.752 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.804 -2.814 1.613 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.100 -2.815 0.080 1.00 0.00 H new ATOM 0 HG23 VAL A 34 0.960 -2.580 1.620 1.00 0.00 H new ATOM 511 N THR A 35 0.353 1.752 -1.025 1.00 0.00 N ATOM 512 CA THR A 35 0.106 3.174 -1.222 1.00 0.00 C ATOM 513 C THR A 35 -1.250 3.411 -1.877 1.00 0.00 C ATOM 514 O THR A 35 -1.785 2.533 -2.554 1.00 0.00 O ATOM 515 CB THR A 35 1.202 3.820 -2.091 1.00 0.00 C ATOM 516 OG1 THR A 35 2.495 3.407 -1.635 1.00 0.00 O ATOM 517 CG2 THR A 35 1.103 5.337 -2.048 1.00 0.00 C ATOM 0 H THR A 35 0.154 1.173 -1.840 1.00 0.00 H new ATOM 0 HA THR A 35 0.116 3.636 -0.235 1.00 0.00 H new ATOM 0 HB THR A 35 1.059 3.492 -3.121 1.00 0.00 H new ATOM 0 HG1 THR A 35 3.186 3.820 -2.193 1.00 0.00 H new ATOM 0 HG21 THR A 35 1.887 5.771 -2.669 1.00 0.00 H new ATOM 0 HG22 THR A 35 0.128 5.649 -2.424 1.00 0.00 H new ATOM 0 HG23 THR A 35 1.223 5.680 -1.020 1.00 0.00 H new ATOM 525 N TRP A 36 -1.801 4.602 -1.670 1.00 0.00 N ATOM 526 CA TRP A 36 -3.096 4.954 -2.242 1.00 0.00 C ATOM 527 C TRP A 36 -3.317 6.462 -2.202 1.00 0.00 C ATOM 528 O TRP A 36 -2.959 7.127 -1.229 1.00 0.00 O ATOM 529 CB TRP A 36 -4.220 4.241 -1.487 1.00 0.00 C ATOM 530 CG TRP A 36 -4.378 4.712 -0.073 1.00 0.00 C ATOM 531 CD1 TRP A 36 -5.141 5.757 0.363 1.00 0.00 C ATOM 532 CD2 TRP A 36 -3.755 4.155 1.090 1.00 0.00 C ATOM 533 NE1 TRP A 36 -5.030 5.884 1.726 1.00 0.00 N ATOM 534 CE2 TRP A 36 -4.187 4.912 2.196 1.00 0.00 C ATOM 535 CE3 TRP A 36 -2.877 3.089 1.304 1.00 0.00 C ATOM 536 CZ2 TRP A 36 -3.768 4.636 3.495 1.00 0.00 C ATOM 537 CZ3 TRP A 36 -2.462 2.817 2.594 1.00 0.00 C ATOM 538 CH2 TRP A 36 -2.908 3.587 3.676 1.00 0.00 C ATOM 0 H TRP A 36 -1.372 5.339 -1.111 1.00 0.00 H new ATOM 0 HA TRP A 36 -3.105 4.632 -3.283 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -5.159 4.392 -2.020 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -4.024 3.169 -1.485 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -5.743 6.391 -0.271 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -5.499 6.588 2.296 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -2.529 2.489 0.476 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -4.110 5.229 4.330 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -1.782 1.997 2.771 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -2.566 3.348 4.672 1.00 0.00 H new ATOM 549 N THR A 37 -3.908 6.997 -3.266 1.00 0.00 N ATOM 550 CA THR A 37 -4.176 8.427 -3.352 1.00 0.00 C ATOM 551 C THR A 37 -5.666 8.717 -3.219 1.00 0.00 C ATOM 552 O THR A 37 -6.502 7.842 -3.444 1.00 0.00 O ATOM 553 CB THR A 37 -3.667 9.014 -4.683 1.00 0.00 C ATOM 554 OG1 THR A 37 -3.554 10.438 -4.579 1.00 0.00 O ATOM 555 CG2 THR A 37 -4.606 8.657 -5.825 1.00 0.00 C ATOM 0 H THR A 37 -4.210 6.461 -4.080 1.00 0.00 H new ATOM 0 HA THR A 37 -3.643 8.899 -2.527 1.00 0.00 H new ATOM 0 HB THR A 37 -2.686 8.587 -4.892 1.00 0.00 H new ATOM 0 HG1 THR A 37 -3.228 10.803 -5.428 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.227 9.082 -6.754 1.00 0.00 H new ATOM 0 HG22 THR A 37 -4.667 7.573 -5.920 1.00 0.00 H new ATOM 0 HG23 THR A 37 -5.598 9.060 -5.620 1.00 0.00 H new ATOM 563 N VAL A 38 -5.994 9.952 -2.851 1.00 0.00 N ATOM 564 CA VAL A 38 -7.385 10.358 -2.689 1.00 0.00 C ATOM 565 C VAL A 38 -7.617 11.757 -3.248 1.00 0.00 C ATOM 566 O VAL A 38 -6.943 12.711 -2.861 1.00 0.00 O ATOM 567 CB VAL A 38 -7.808 10.331 -1.208 1.00 0.00 C ATOM 568 CG1 VAL A 38 -7.527 8.968 -0.597 1.00 0.00 C ATOM 569 CG2 VAL A 38 -7.098 11.430 -0.432 1.00 0.00 C ATOM 0 H VAL A 38 -5.315 10.689 -2.659 1.00 0.00 H new ATOM 0 HA VAL A 38 -7.991 9.643 -3.245 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.881 10.513 -1.151 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.832 8.968 0.449 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.086 8.205 -1.138 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.461 8.752 -0.664 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.408 11.397 0.612 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.020 11.282 -0.495 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.356 12.400 -0.856 1.00 0.00 H new ATOM 579 N ASP A 39 -8.577 11.872 -4.160 1.00 0.00 N ATOM 580 CA ASP A 39 -8.900 13.155 -4.772 1.00 0.00 C ATOM 581 C ASP A 39 -9.236 14.195 -3.707 1.00 0.00 C ATOM 582 O ASP A 39 -8.670 15.288 -3.693 1.00 0.00 O ATOM 583 CB ASP A 39 -10.074 13.001 -5.740 1.00 0.00 C ATOM 584 CG ASP A 39 -9.703 12.211 -6.979 1.00 0.00 C ATOM 585 OD1 ASP A 39 -8.633 12.488 -7.561 1.00 0.00 O ATOM 586 OD2 ASP A 39 -10.481 11.315 -7.367 1.00 0.00 O ATOM 0 H ASP A 39 -9.145 11.092 -4.491 1.00 0.00 H new ATOM 0 HA ASP A 39 -8.025 13.497 -5.325 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -10.899 12.504 -5.230 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -10.430 13.988 -6.035 1.00 0.00 H new ATOM 591 N ARG A 40 -10.161 13.848 -2.819 1.00 0.00 N ATOM 592 CA ARG A 40 -10.574 14.752 -1.752 1.00 0.00 C ATOM 593 C ARG A 40 -10.377 14.106 -0.384 1.00 0.00 C ATOM 594 O ARG A 40 -11.246 13.381 0.101 1.00 0.00 O ATOM 595 CB ARG A 40 -12.039 15.153 -1.933 1.00 0.00 C ATOM 596 CG ARG A 40 -12.310 15.906 -3.225 1.00 0.00 C ATOM 597 CD ARG A 40 -13.719 15.647 -3.736 1.00 0.00 C ATOM 598 NE ARG A 40 -13.954 16.272 -5.035 1.00 0.00 N ATOM 599 CZ ARG A 40 -14.124 17.578 -5.202 1.00 0.00 C ATOM 600 NH1 ARG A 40 -14.086 18.394 -4.158 1.00 0.00 N ATOM 601 NH2 ARG A 40 -14.333 18.071 -6.416 1.00 0.00 N ATOM 0 H ARG A 40 -10.639 12.947 -2.817 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.951 15.645 -1.805 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -12.658 14.256 -1.909 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -12.344 15.773 -1.090 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -12.172 16.975 -3.060 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -11.586 15.604 -3.982 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -13.884 14.572 -3.816 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -14.442 16.028 -3.015 1.00 0.00 H new ATOM 0 HE ARG A 40 -13.989 15.672 -5.859 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -13.926 18.019 -3.223 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -14.217 19.397 -4.290 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -14.363 17.446 -7.222 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -14.464 19.075 -6.543 1.00 0.00 H new ATOM 615 N GLN A 41 -9.230 14.373 0.231 1.00 0.00 N ATOM 616 CA GLN A 41 -8.919 13.816 1.542 1.00 0.00 C ATOM 617 C GLN A 41 -9.990 14.190 2.561 1.00 0.00 C ATOM 618 O GLN A 41 -10.183 15.360 2.893 1.00 0.00 O ATOM 619 CB GLN A 41 -7.551 14.308 2.018 1.00 0.00 C ATOM 620 CG GLN A 41 -7.059 13.615 3.278 1.00 0.00 C ATOM 621 CD GLN A 41 -5.716 14.140 3.746 1.00 0.00 C ATOM 622 OE1 GLN A 41 -5.268 15.203 3.317 1.00 0.00 O ATOM 623 NE2 GLN A 41 -5.066 13.395 4.633 1.00 0.00 N ATOM 0 H GLN A 41 -8.501 14.971 -0.157 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.895 12.730 1.450 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.822 14.156 1.222 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.604 15.381 2.201 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.794 13.748 4.072 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -6.981 12.544 3.092 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.475 12.520 4.962 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.158 13.698 4.986 1.00 0.00 H new ATOM 632 N PRO A 42 -10.705 13.176 3.069 1.00 0.00 N ATOM 633 CA PRO A 42 -11.769 13.374 4.057 1.00 0.00 C ATOM 634 C PRO A 42 -11.226 13.801 5.416 1.00 0.00 C ATOM 635 O PRO A 42 -10.245 13.240 5.906 1.00 0.00 O ATOM 636 CB PRO A 42 -12.426 11.995 4.153 1.00 0.00 C ATOM 637 CG PRO A 42 -11.359 11.038 3.745 1.00 0.00 C ATOM 638 CD PRO A 42 -10.529 11.756 2.718 1.00 0.00 C ATOM 0 HA PRO A 42 -12.455 14.168 3.763 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -12.774 11.792 5.166 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -13.294 11.923 3.497 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -10.752 10.743 4.601 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -11.790 10.127 3.331 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -9.482 11.457 2.767 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -10.873 11.547 1.705 1.00 0.00 H new ATOM 646 N GLN A 43 -11.869 14.794 6.020 1.00 0.00 N ATOM 647 CA GLN A 43 -11.449 15.295 7.324 1.00 0.00 C ATOM 648 C GLN A 43 -12.075 14.478 8.449 1.00 0.00 C ATOM 649 O GLN A 43 -11.405 14.123 9.419 1.00 0.00 O ATOM 650 CB GLN A 43 -11.830 16.769 7.474 1.00 0.00 C ATOM 651 CG GLN A 43 -13.321 17.029 7.331 1.00 0.00 C ATOM 652 CD GLN A 43 -13.666 18.504 7.406 1.00 0.00 C ATOM 653 OE1 GLN A 43 -13.293 19.285 6.530 1.00 0.00 O ATOM 654 NE2 GLN A 43 -14.382 18.892 8.454 1.00 0.00 N ATOM 0 H GLN A 43 -12.683 15.268 5.628 1.00 0.00 H new ATOM 0 HA GLN A 43 -10.365 15.199 7.390 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -11.500 17.124 8.450 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -11.294 17.352 6.725 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -13.666 16.627 6.379 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -13.856 16.494 8.116 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -14.669 18.210 9.156 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -14.645 19.872 8.557 1.00 0.00 H new ATOM 663 N PHE A 44 -13.363 14.183 8.313 1.00 0.00 N ATOM 664 CA PHE A 44 -14.081 13.408 9.319 1.00 0.00 C ATOM 665 C PHE A 44 -13.453 12.028 9.492 1.00 0.00 C ATOM 666 O PHE A 44 -13.335 11.524 10.609 1.00 0.00 O ATOM 667 CB PHE A 44 -15.553 13.266 8.929 1.00 0.00 C ATOM 668 CG PHE A 44 -15.774 12.386 7.732 1.00 0.00 C ATOM 669 CD1 PHE A 44 -15.687 12.903 6.450 1.00 0.00 C ATOM 670 CD2 PHE A 44 -16.069 11.041 7.890 1.00 0.00 C ATOM 671 CE1 PHE A 44 -15.890 12.095 5.347 1.00 0.00 C ATOM 672 CE2 PHE A 44 -16.273 10.228 6.790 1.00 0.00 C ATOM 673 CZ PHE A 44 -16.183 10.756 5.517 1.00 0.00 C ATOM 0 H PHE A 44 -13.932 14.469 7.516 1.00 0.00 H new ATOM 0 HA PHE A 44 -14.014 13.940 10.268 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -16.107 12.860 9.775 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -15.963 14.255 8.724 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -15.458 13.949 6.311 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -16.140 10.623 8.883 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -15.820 12.511 4.353 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -16.502 9.181 6.926 1.00 0.00 H new ATOM 0 HZ PHE A 44 -16.341 10.123 4.656 1.00 0.00 H new ATOM 683 N ILE A 45 -13.053 11.423 8.379 1.00 0.00 N ATOM 684 CA ILE A 45 -12.437 10.102 8.408 1.00 0.00 C ATOM 685 C ILE A 45 -11.546 9.937 9.634 1.00 0.00 C ATOM 686 O ILE A 45 -10.808 10.849 10.004 1.00 0.00 O ATOM 687 CB ILE A 45 -11.599 9.844 7.141 1.00 0.00 C ATOM 688 CG1 ILE A 45 -11.488 8.342 6.875 1.00 0.00 C ATOM 689 CG2 ILE A 45 -10.219 10.467 7.283 1.00 0.00 C ATOM 690 CD1 ILE A 45 -11.073 8.008 5.458 1.00 0.00 C ATOM 0 H ILE A 45 -13.144 11.826 7.446 1.00 0.00 H new ATOM 0 HA ILE A 45 -13.249 9.376 8.452 1.00 0.00 H new ATOM 0 HB ILE A 45 -12.099 10.308 6.291 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -10.765 7.911 7.568 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -12.449 7.872 7.084 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -9.639 10.276 6.380 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -10.319 11.542 7.430 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -9.709 10.029 8.141 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -11.015 6.926 5.341 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -11.808 8.409 4.760 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -10.098 8.448 5.251 1.00 0.00 H new ATOM 702 N GLN A 46 -11.622 8.767 10.260 1.00 0.00 N ATOM 703 CA GLN A 46 -10.821 8.482 11.445 1.00 0.00 C ATOM 704 C GLN A 46 -9.471 7.886 11.060 1.00 0.00 C ATOM 705 O GLN A 46 -8.480 8.060 11.768 1.00 0.00 O ATOM 706 CB GLN A 46 -11.569 7.523 12.373 1.00 0.00 C ATOM 707 CG GLN A 46 -12.573 8.215 13.282 1.00 0.00 C ATOM 708 CD GLN A 46 -11.911 9.130 14.293 1.00 0.00 C ATOM 709 OE1 GLN A 46 -11.527 10.255 13.971 1.00 0.00 O ATOM 710 NE2 GLN A 46 -11.774 8.652 15.524 1.00 0.00 N ATOM 0 H GLN A 46 -12.229 8.002 9.967 1.00 0.00 H new ATOM 0 HA GLN A 46 -10.646 9.422 11.969 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -12.090 6.779 11.770 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -10.846 6.986 12.987 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -13.269 8.794 12.674 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -13.160 7.462 13.808 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -12.107 7.714 15.747 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -11.336 9.223 16.247 1.00 0.00 H new ATOM 719 N GLY A 47 -9.441 7.182 9.932 1.00 0.00 N ATOM 720 CA GLY A 47 -8.207 6.571 9.473 1.00 0.00 C ATOM 721 C GLY A 47 -8.384 5.817 8.170 1.00 0.00 C ATOM 722 O GLY A 47 -9.077 6.283 7.264 1.00 0.00 O ATOM 0 H GLY A 47 -10.248 7.024 9.329 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.449 7.344 9.342 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.837 5.888 10.237 1.00 0.00 H new ATOM 726 N TYR A 48 -7.756 4.651 8.072 1.00 0.00 N ATOM 727 CA TYR A 48 -7.843 3.833 6.868 1.00 0.00 C ATOM 728 C TYR A 48 -7.648 2.356 7.197 1.00 0.00 C ATOM 729 O TYR A 48 -6.638 1.968 7.785 1.00 0.00 O ATOM 730 CB TYR A 48 -6.799 4.281 5.845 1.00 0.00 C ATOM 731 CG TYR A 48 -7.093 5.631 5.231 1.00 0.00 C ATOM 732 CD1 TYR A 48 -7.985 5.755 4.173 1.00 0.00 C ATOM 733 CD2 TYR A 48 -6.479 6.783 5.708 1.00 0.00 C ATOM 734 CE1 TYR A 48 -8.257 6.987 3.608 1.00 0.00 C ATOM 735 CE2 TYR A 48 -6.746 8.018 5.150 1.00 0.00 C ATOM 736 CZ TYR A 48 -7.635 8.115 4.101 1.00 0.00 C ATOM 737 OH TYR A 48 -7.903 9.344 3.541 1.00 0.00 O ATOM 0 H TYR A 48 -7.180 4.250 8.813 1.00 0.00 H new ATOM 0 HA TYR A 48 -8.838 3.963 6.443 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -5.822 4.315 6.327 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.737 3.536 5.052 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -8.474 4.874 3.785 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -5.781 6.711 6.529 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -8.952 7.066 2.785 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -6.261 8.903 5.534 1.00 0.00 H new ATOM 0 HH TYR A 48 -7.385 10.035 4.004 1.00 0.00 H new ATOM 747 N ARG A 49 -8.622 1.538 6.814 1.00 0.00 N ATOM 748 CA ARG A 49 -8.559 0.103 7.068 1.00 0.00 C ATOM 749 C ARG A 49 -7.906 -0.628 5.898 1.00 0.00 C ATOM 750 O ARG A 49 -8.452 -0.668 4.795 1.00 0.00 O ATOM 751 CB ARG A 49 -9.962 -0.455 7.313 1.00 0.00 C ATOM 752 CG ARG A 49 -9.968 -1.893 7.805 1.00 0.00 C ATOM 753 CD ARG A 49 -11.256 -2.224 8.542 1.00 0.00 C ATOM 754 NE ARG A 49 -11.616 -3.634 8.409 1.00 0.00 N ATOM 755 CZ ARG A 49 -12.607 -4.206 9.083 1.00 0.00 C ATOM 756 NH1 ARG A 49 -13.334 -3.493 9.932 1.00 0.00 N ATOM 757 NH2 ARG A 49 -12.874 -5.494 8.907 1.00 0.00 N ATOM 0 H ARG A 49 -9.464 1.844 6.327 1.00 0.00 H new ATOM 0 HA ARG A 49 -7.951 -0.057 7.959 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -10.471 0.173 8.045 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -10.535 -0.394 6.388 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -9.848 -2.569 6.958 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -9.117 -2.056 8.466 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -11.144 -1.977 9.598 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -12.065 -1.605 8.154 1.00 0.00 H new ATOM 0 HE ARG A 49 -11.077 -4.210 7.763 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -13.133 -2.502 10.069 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -14.095 -3.935 10.448 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -12.318 -6.045 8.254 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -13.635 -5.932 9.425 1.00 0.00 H new ATOM 771 N VAL A 50 -6.735 -1.204 6.147 1.00 0.00 N ATOM 772 CA VAL A 50 -6.008 -1.934 5.115 1.00 0.00 C ATOM 773 C VAL A 50 -6.173 -3.440 5.287 1.00 0.00 C ATOM 774 O VAL A 50 -5.392 -4.084 5.988 1.00 0.00 O ATOM 775 CB VAL A 50 -4.507 -1.588 5.134 1.00 0.00 C ATOM 776 CG1 VAL A 50 -3.751 -2.431 4.119 1.00 0.00 C ATOM 777 CG2 VAL A 50 -4.300 -0.105 4.868 1.00 0.00 C ATOM 0 H VAL A 50 -6.269 -1.180 7.054 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.431 -1.632 4.157 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.112 -1.815 6.124 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.693 -2.172 4.147 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.873 -3.487 4.360 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.145 -2.239 3.121 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.234 0.122 4.885 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.710 0.150 3.891 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.807 0.477 5.637 1.00 0.00 H new ATOM 787 N MET A 51 -7.194 -3.995 4.643 1.00 0.00 N ATOM 788 CA MET A 51 -7.460 -5.427 4.724 1.00 0.00 C ATOM 789 C MET A 51 -6.597 -6.198 3.730 1.00 0.00 C ATOM 790 O MET A 51 -6.502 -5.829 2.559 1.00 0.00 O ATOM 791 CB MET A 51 -8.940 -5.708 4.457 1.00 0.00 C ATOM 792 CG MET A 51 -9.805 -5.650 5.706 1.00 0.00 C ATOM 793 SD MET A 51 -11.530 -6.055 5.375 1.00 0.00 S ATOM 794 CE MET A 51 -11.348 -7.560 4.421 1.00 0.00 C ATOM 0 H MET A 51 -7.850 -3.476 4.060 1.00 0.00 H new ATOM 0 HA MET A 51 -7.210 -5.761 5.731 1.00 0.00 H new ATOM 0 HB2 MET A 51 -9.314 -4.985 3.732 1.00 0.00 H new ATOM 0 HB3 MET A 51 -9.038 -6.694 4.003 1.00 0.00 H new ATOM 0 HG2 MET A 51 -9.410 -6.342 6.450 1.00 0.00 H new ATOM 0 HG3 MET A 51 -9.747 -4.651 6.138 1.00 0.00 H new ATOM 0 HE1 MET A 51 -12.230 -8.186 4.557 1.00 0.00 H new ATOM 0 HE2 MET A 51 -11.239 -7.311 3.365 1.00 0.00 H new ATOM 0 HE3 MET A 51 -10.464 -8.101 4.759 1.00 0.00 H new ATOM 804 N TYR A 52 -5.970 -7.268 4.204 1.00 0.00 N ATOM 805 CA TYR A 52 -5.112 -8.089 3.358 1.00 0.00 C ATOM 806 C TYR A 52 -5.204 -9.560 3.752 1.00 0.00 C ATOM 807 O TYR A 52 -5.641 -9.893 4.855 1.00 0.00 O ATOM 808 CB TYR A 52 -3.661 -7.614 3.453 1.00 0.00 C ATOM 809 CG TYR A 52 -3.045 -7.819 4.818 1.00 0.00 C ATOM 810 CD1 TYR A 52 -3.453 -7.058 5.907 1.00 0.00 C ATOM 811 CD2 TYR A 52 -2.056 -8.774 5.020 1.00 0.00 C ATOM 812 CE1 TYR A 52 -2.892 -7.241 7.156 1.00 0.00 C ATOM 813 CE2 TYR A 52 -1.491 -8.965 6.266 1.00 0.00 C ATOM 814 CZ TYR A 52 -1.912 -8.196 7.331 1.00 0.00 C ATOM 815 OH TYR A 52 -1.352 -8.382 8.574 1.00 0.00 O ATOM 0 H TYR A 52 -6.040 -7.588 5.170 1.00 0.00 H new ATOM 0 HA TYR A 52 -5.455 -7.985 2.328 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -3.064 -8.145 2.711 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -3.617 -6.555 3.199 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.222 -6.311 5.775 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.723 -9.377 4.188 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -3.219 -6.639 7.991 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -0.724 -9.712 6.406 1.00 0.00 H new ATOM 0 HH TYR A 52 -0.679 -9.093 8.526 1.00 0.00 H new ATOM 825 N ARG A 53 -4.790 -10.437 2.843 1.00 0.00 N ATOM 826 CA ARG A 53 -4.826 -11.872 3.095 1.00 0.00 C ATOM 827 C ARG A 53 -4.171 -12.641 1.950 1.00 0.00 C ATOM 828 O ARG A 53 -3.793 -12.057 0.935 1.00 0.00 O ATOM 829 CB ARG A 53 -6.269 -12.343 3.280 1.00 0.00 C ATOM 830 CG ARG A 53 -7.057 -12.417 1.982 1.00 0.00 C ATOM 831 CD ARG A 53 -8.171 -13.449 2.064 1.00 0.00 C ATOM 832 NE ARG A 53 -8.756 -13.728 0.756 1.00 0.00 N ATOM 833 CZ ARG A 53 -9.918 -14.349 0.588 1.00 0.00 C ATOM 834 NH1 ARG A 53 -10.616 -14.753 1.640 1.00 0.00 N ATOM 835 NH2 ARG A 53 -10.385 -14.566 -0.635 1.00 0.00 N ATOM 0 H ARG A 53 -4.426 -10.179 1.926 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.267 -12.069 4.010 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.264 -13.327 3.749 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.778 -11.666 3.966 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -7.482 -11.439 1.757 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -6.385 -12.669 1.161 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.779 -14.372 2.490 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -8.948 -13.091 2.740 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.244 -13.430 -0.074 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -10.261 -14.587 2.582 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -11.508 -15.230 1.508 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -9.851 -14.256 -1.447 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -11.277 -15.043 -0.763 1.00 0.00 H new ATOM 849 N GLN A 54 -4.042 -13.952 2.123 1.00 0.00 N ATOM 850 CA GLN A 54 -3.432 -14.800 1.105 1.00 0.00 C ATOM 851 C GLN A 54 -4.484 -15.331 0.138 1.00 0.00 C ATOM 852 O GLN A 54 -5.615 -15.621 0.530 1.00 0.00 O ATOM 853 CB GLN A 54 -2.690 -15.966 1.760 1.00 0.00 C ATOM 854 CG GLN A 54 -1.583 -16.546 0.894 1.00 0.00 C ATOM 855 CD GLN A 54 -0.642 -17.444 1.673 1.00 0.00 C ATOM 856 OE1 GLN A 54 0.208 -16.967 2.426 1.00 0.00 O ATOM 857 NE2 GLN A 54 -0.789 -18.751 1.496 1.00 0.00 N ATOM 0 H GLN A 54 -4.351 -14.450 2.958 1.00 0.00 H new ATOM 0 HA GLN A 54 -2.720 -14.195 0.543 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.262 -15.629 2.704 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -3.405 -16.754 1.997 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -2.027 -17.114 0.076 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -1.014 -15.732 0.445 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -1.507 -19.102 0.862 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -0.184 -19.404 1.994 1.00 0.00 H new ATOM 866 N THR A 55 -4.105 -15.457 -1.131 1.00 0.00 N ATOM 867 CA THR A 55 -5.016 -15.951 -2.155 1.00 0.00 C ATOM 868 C THR A 55 -4.763 -17.425 -2.450 1.00 0.00 C ATOM 869 O THR A 55 -5.700 -18.219 -2.546 1.00 0.00 O ATOM 870 CB THR A 55 -4.882 -15.147 -3.462 1.00 0.00 C ATOM 871 OG1 THR A 55 -3.510 -15.104 -3.872 1.00 0.00 O ATOM 872 CG2 THR A 55 -5.408 -13.731 -3.283 1.00 0.00 C ATOM 0 H THR A 55 -3.173 -15.223 -1.473 1.00 0.00 H new ATOM 0 HA THR A 55 -6.026 -15.829 -1.765 1.00 0.00 H new ATOM 0 HB THR A 55 -5.475 -15.643 -4.230 1.00 0.00 H new ATOM 0 HG1 THR A 55 -3.442 -15.366 -4.814 1.00 0.00 H new ATOM 0 HG21 THR A 55 -5.303 -13.183 -4.219 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.460 -13.767 -3.000 1.00 0.00 H new ATOM 0 HG23 THR A 55 -4.839 -13.227 -2.502 1.00 0.00 H new ATOM 880 N SER A 56 -3.492 -17.786 -2.594 1.00 0.00 N ATOM 881 CA SER A 56 -3.116 -19.165 -2.881 1.00 0.00 C ATOM 882 C SER A 56 -2.323 -19.765 -1.724 1.00 0.00 C ATOM 883 O SER A 56 -1.435 -19.122 -1.166 1.00 0.00 O ATOM 884 CB SER A 56 -2.293 -19.234 -4.168 1.00 0.00 C ATOM 885 OG SER A 56 -3.092 -18.942 -5.302 1.00 0.00 O ATOM 0 H SER A 56 -2.705 -17.142 -2.517 1.00 0.00 H new ATOM 0 HA SER A 56 -4.030 -19.745 -3.011 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.465 -18.528 -4.112 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.858 -20.228 -4.272 1.00 0.00 H new ATOM 0 HG SER A 56 -2.542 -18.991 -6.111 1.00 0.00 H new ATOM 891 N GLY A 57 -2.652 -21.003 -1.368 1.00 0.00 N ATOM 892 CA GLY A 57 -1.962 -21.670 -0.279 1.00 0.00 C ATOM 893 C GLY A 57 -2.910 -22.141 0.806 1.00 0.00 C ATOM 894 O GLY A 57 -4.119 -22.232 0.588 1.00 0.00 O ATOM 0 H GLY A 57 -3.384 -21.556 -1.814 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.411 -22.524 -0.672 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.229 -20.989 0.154 1.00 0.00 H new ATOM 898 N LEU A 58 -2.362 -22.443 1.978 1.00 0.00 N ATOM 899 CA LEU A 58 -3.167 -22.909 3.101 1.00 0.00 C ATOM 900 C LEU A 58 -3.852 -21.741 3.803 1.00 0.00 C ATOM 901 O LEU A 58 -5.064 -21.757 4.016 1.00 0.00 O ATOM 902 CB LEU A 58 -2.294 -23.676 4.096 1.00 0.00 C ATOM 903 CG LEU A 58 -3.000 -24.759 4.913 1.00 0.00 C ATOM 904 CD1 LEU A 58 -3.914 -24.133 5.955 1.00 0.00 C ATOM 905 CD2 LEU A 58 -3.787 -25.688 3.999 1.00 0.00 C ATOM 0 H LEU A 58 -1.364 -22.373 2.175 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.936 -23.576 2.712 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.474 -24.140 3.547 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.850 -22.959 4.787 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.243 -25.347 5.432 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.407 -24.920 6.526 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.325 -23.510 6.629 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.666 -23.520 5.458 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.283 -26.453 4.597 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.535 -25.113 3.452 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.108 -26.164 3.292 1.00 0.00 H new ATOM 917 N GLN A 59 -3.067 -20.728 4.157 1.00 0.00 N ATOM 918 CA GLN A 59 -3.598 -19.551 4.833 1.00 0.00 C ATOM 919 C GLN A 59 -4.547 -18.781 3.920 1.00 0.00 C ATOM 920 O GLN A 59 -5.208 -17.837 4.351 1.00 0.00 O ATOM 921 CB GLN A 59 -2.457 -18.639 5.288 1.00 0.00 C ATOM 922 CG GLN A 59 -1.522 -19.291 6.294 1.00 0.00 C ATOM 923 CD GLN A 59 -2.064 -19.247 7.709 1.00 0.00 C ATOM 924 OE1 GLN A 59 -2.770 -18.312 8.086 1.00 0.00 O ATOM 925 NE2 GLN A 59 -1.735 -20.261 8.501 1.00 0.00 N ATOM 0 H GLN A 59 -2.062 -20.699 3.987 1.00 0.00 H new ATOM 0 HA GLN A 59 -4.156 -19.886 5.707 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -1.881 -18.329 4.416 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -2.879 -17.736 5.729 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -1.352 -20.329 6.006 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -0.555 -18.789 6.264 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -1.147 -21.015 8.146 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -2.070 -20.286 9.464 1.00 0.00 H new ATOM 934 N ALA A 60 -4.608 -19.190 2.658 1.00 0.00 N ATOM 935 CA ALA A 60 -5.477 -18.540 1.685 1.00 0.00 C ATOM 936 C ALA A 60 -6.946 -18.748 2.035 1.00 0.00 C ATOM 937 O ALA A 60 -7.308 -19.730 2.684 1.00 0.00 O ATOM 938 CB ALA A 60 -5.186 -19.063 0.285 1.00 0.00 C ATOM 0 H ALA A 60 -4.066 -19.969 2.285 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.273 -17.470 1.711 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.842 -18.569 -0.432 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.147 -18.856 0.028 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.360 -20.139 0.255 1.00 0.00 H new ATOM 944 N THR A 61 -7.791 -17.818 1.602 1.00 0.00 N ATOM 945 CA THR A 61 -9.221 -17.898 1.871 1.00 0.00 C ATOM 946 C THR A 61 -9.488 -18.502 3.245 1.00 0.00 C ATOM 947 O THR A 61 -10.489 -19.189 3.448 1.00 0.00 O ATOM 948 CB THR A 61 -9.947 -18.739 0.804 1.00 0.00 C ATOM 949 OG1 THR A 61 -11.355 -18.752 1.065 1.00 0.00 O ATOM 950 CG2 THR A 61 -9.416 -20.164 0.784 1.00 0.00 C ATOM 0 H THR A 61 -7.509 -16.999 1.063 1.00 0.00 H new ATOM 0 HA THR A 61 -9.606 -16.879 1.843 1.00 0.00 H new ATOM 0 HB THR A 61 -9.763 -18.287 -0.170 1.00 0.00 H new ATOM 0 HG1 THR A 61 -11.513 -19.026 1.992 1.00 0.00 H new ATOM 0 HG21 THR A 61 -9.944 -20.738 0.023 1.00 0.00 H new ATOM 0 HG22 THR A 61 -8.350 -20.152 0.555 1.00 0.00 H new ATOM 0 HG23 THR A 61 -9.573 -20.624 1.759 1.00 0.00 H new ATOM 958 N SER A 62 -8.587 -18.240 4.187 1.00 0.00 N ATOM 959 CA SER A 62 -8.725 -18.760 5.542 1.00 0.00 C ATOM 960 C SER A 62 -9.399 -17.736 6.451 1.00 0.00 C ATOM 961 O SER A 62 -10.439 -18.011 7.049 1.00 0.00 O ATOM 962 CB SER A 62 -7.354 -19.137 6.108 1.00 0.00 C ATOM 963 OG SER A 62 -7.485 -19.904 7.292 1.00 0.00 O ATOM 0 H SER A 62 -7.754 -17.671 4.036 1.00 0.00 H new ATOM 0 HA SER A 62 -9.351 -19.651 5.501 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.793 -19.703 5.364 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.783 -18.233 6.318 1.00 0.00 H new ATOM 0 HG SER A 62 -6.595 -20.134 7.633 1.00 0.00 H new ATOM 969 N SER A 63 -8.798 -16.555 6.549 1.00 0.00 N ATOM 970 CA SER A 63 -9.338 -15.490 7.387 1.00 0.00 C ATOM 971 C SER A 63 -8.745 -14.140 6.999 1.00 0.00 C ATOM 972 O SER A 63 -7.539 -13.921 7.118 1.00 0.00 O ATOM 973 CB SER A 63 -9.052 -15.780 8.862 1.00 0.00 C ATOM 974 OG SER A 63 -10.062 -16.599 9.426 1.00 0.00 O ATOM 0 H SER A 63 -7.937 -16.311 6.059 1.00 0.00 H new ATOM 0 HA SER A 63 -10.416 -15.451 7.233 1.00 0.00 H new ATOM 0 HB2 SER A 63 -8.084 -16.272 8.958 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.989 -14.843 9.415 1.00 0.00 H new ATOM 0 HG SER A 63 -10.377 -17.239 8.754 1.00 0.00 H new ATOM 980 N TRP A 64 -9.601 -13.237 6.534 1.00 0.00 N ATOM 981 CA TRP A 64 -9.162 -11.907 6.127 1.00 0.00 C ATOM 982 C TRP A 64 -8.640 -11.117 7.322 1.00 0.00 C ATOM 983 O TRP A 64 -9.174 -11.220 8.425 1.00 0.00 O ATOM 984 CB TRP A 64 -10.313 -11.149 5.462 1.00 0.00 C ATOM 985 CG TRP A 64 -10.379 -11.352 3.979 1.00 0.00 C ATOM 986 CD1 TRP A 64 -11.157 -12.253 3.309 1.00 0.00 C ATOM 987 CD2 TRP A 64 -9.638 -10.640 2.982 1.00 0.00 C ATOM 988 NE1 TRP A 64 -10.943 -12.144 1.956 1.00 0.00 N ATOM 989 CE2 TRP A 64 -10.017 -11.161 1.730 1.00 0.00 C ATOM 990 CE3 TRP A 64 -8.693 -9.612 3.026 1.00 0.00 C ATOM 991 CZ2 TRP A 64 -9.481 -10.688 0.534 1.00 0.00 C ATOM 992 CZ3 TRP A 64 -8.162 -9.144 1.839 1.00 0.00 C ATOM 993 CH2 TRP A 64 -8.557 -9.681 0.607 1.00 0.00 C ATOM 0 H TRP A 64 -10.602 -13.401 6.429 1.00 0.00 H new ATOM 0 HA TRP A 64 -8.350 -12.023 5.409 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -11.255 -11.469 5.908 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -10.207 -10.085 5.671 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -11.840 -12.949 3.774 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -11.400 -12.705 1.237 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -8.383 -9.191 3.971 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -9.784 -11.101 -0.417 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -7.430 -8.350 1.862 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -8.124 -9.293 -0.303 1.00 0.00 H new ATOM 1004 N GLN A 65 -7.594 -10.329 7.093 1.00 0.00 N ATOM 1005 CA GLN A 65 -7.001 -9.522 8.153 1.00 0.00 C ATOM 1006 C GLN A 65 -7.203 -8.034 7.882 1.00 0.00 C ATOM 1007 O GLN A 65 -7.665 -7.646 6.810 1.00 0.00 O ATOM 1008 CB GLN A 65 -5.508 -9.830 8.282 1.00 0.00 C ATOM 1009 CG GLN A 65 -5.217 -11.128 9.018 1.00 0.00 C ATOM 1010 CD GLN A 65 -3.876 -11.109 9.726 1.00 0.00 C ATOM 1011 OE1 GLN A 65 -2.875 -11.595 9.198 1.00 0.00 O ATOM 1012 NE2 GLN A 65 -3.849 -10.548 10.929 1.00 0.00 N ATOM 0 H GLN A 65 -7.140 -10.232 6.184 1.00 0.00 H new ATOM 0 HA GLN A 65 -7.500 -9.774 9.089 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.068 -9.880 7.286 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.020 -9.008 8.805 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -6.006 -11.313 9.747 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.238 -11.956 8.309 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -4.702 -10.157 11.329 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.975 -10.508 11.453 1.00 0.00 H new ATOM 1021 N ASN A 66 -6.854 -7.207 8.862 1.00 0.00 N ATOM 1022 CA ASN A 66 -6.998 -5.762 8.730 1.00 0.00 C ATOM 1023 C ASN A 66 -5.934 -5.032 9.545 1.00 0.00 C ATOM 1024 O ASN A 66 -5.735 -5.321 10.726 1.00 0.00 O ATOM 1025 CB ASN A 66 -8.393 -5.324 9.183 1.00 0.00 C ATOM 1026 CG ASN A 66 -8.850 -6.052 10.432 1.00 0.00 C ATOM 1027 OD1 ASN A 66 -8.286 -5.870 11.511 1.00 0.00 O ATOM 1028 ND2 ASN A 66 -9.877 -6.881 10.291 1.00 0.00 N ATOM 0 H ASN A 66 -6.470 -7.513 9.756 1.00 0.00 H new ATOM 0 HA ASN A 66 -6.866 -5.503 7.679 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -8.390 -4.250 9.372 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -9.106 -5.504 8.379 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -10.229 -7.398 11.096 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -10.314 -7.001 9.377 1.00 0.00 H new ATOM 1035 N LEU A 67 -5.255 -4.086 8.907 1.00 0.00 N ATOM 1036 CA LEU A 67 -4.211 -3.313 9.572 1.00 0.00 C ATOM 1037 C LEU A 67 -4.652 -1.868 9.780 1.00 0.00 C ATOM 1038 O LEU A 67 -4.505 -1.029 8.891 1.00 0.00 O ATOM 1039 CB LEU A 67 -2.920 -3.351 8.752 1.00 0.00 C ATOM 1040 CG LEU A 67 -1.741 -2.560 9.319 1.00 0.00 C ATOM 1041 CD1 LEU A 67 -0.978 -3.393 10.337 1.00 0.00 C ATOM 1042 CD2 LEU A 67 -0.817 -2.104 8.200 1.00 0.00 C ATOM 0 H LEU A 67 -5.408 -3.835 7.930 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.028 -3.762 10.548 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.614 -4.391 8.641 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.137 -2.975 7.752 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.131 -1.676 9.824 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.143 -2.813 10.729 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.644 -3.668 11.155 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.599 -4.296 9.858 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.016 -1.543 8.622 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.435 -2.974 7.666 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.369 -1.468 7.508 1.00 0.00 H new ATOM 1054 N ASP A 68 -5.192 -1.584 10.960 1.00 0.00 N ATOM 1055 CA ASP A 68 -5.651 -0.239 11.287 1.00 0.00 C ATOM 1056 C ASP A 68 -4.475 0.726 11.395 1.00 0.00 C ATOM 1057 O ASP A 68 -3.643 0.608 12.294 1.00 0.00 O ATOM 1058 CB ASP A 68 -6.440 -0.251 12.597 1.00 0.00 C ATOM 1059 CG ASP A 68 -5.899 -1.262 13.589 1.00 0.00 C ATOM 1060 OD1 ASP A 68 -4.662 -1.344 13.738 1.00 0.00 O ATOM 1061 OD2 ASP A 68 -6.714 -1.970 14.217 1.00 0.00 O ATOM 0 H ASP A 68 -5.323 -2.267 11.706 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.303 0.101 10.483 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -6.412 0.743 13.044 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -7.485 -0.477 12.386 1.00 0.00 H new ATOM 1066 N ALA A 69 -4.412 1.680 10.472 1.00 0.00 N ATOM 1067 CA ALA A 69 -3.338 2.666 10.464 1.00 0.00 C ATOM 1068 C ALA A 69 -3.454 3.613 11.654 1.00 0.00 C ATOM 1069 O ALA A 69 -2.448 4.052 12.212 1.00 0.00 O ATOM 1070 CB ALA A 69 -3.351 3.450 9.160 1.00 0.00 C ATOM 0 H ALA A 69 -5.092 1.791 9.720 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.390 2.135 10.546 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.544 4.183 9.168 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.212 2.766 8.323 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.306 3.964 9.054 1.00 0.00 H new ATOM 1076 N LYS A 70 -4.687 3.925 12.037 1.00 0.00 N ATOM 1077 CA LYS A 70 -4.935 4.820 13.161 1.00 0.00 C ATOM 1078 C LYS A 70 -4.320 6.193 12.910 1.00 0.00 C ATOM 1079 O LYS A 70 -3.735 6.796 13.810 1.00 0.00 O ATOM 1080 CB LYS A 70 -4.367 4.223 14.451 1.00 0.00 C ATOM 1081 CG LYS A 70 -5.192 3.073 15.003 1.00 0.00 C ATOM 1082 CD LYS A 70 -5.029 2.943 16.509 1.00 0.00 C ATOM 1083 CE LYS A 70 -5.230 1.508 16.969 1.00 0.00 C ATOM 1084 NZ LYS A 70 -4.012 0.680 16.753 1.00 0.00 N ATOM 0 H LYS A 70 -5.530 3.571 11.586 1.00 0.00 H new ATOM 0 HA LYS A 70 -6.013 4.938 13.267 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.352 3.874 14.264 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.300 5.007 15.206 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -6.243 3.230 14.762 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.890 2.143 14.522 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.035 3.283 16.799 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.747 3.591 17.011 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.492 1.499 18.027 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.069 1.068 16.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -4.190 -0.291 17.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -3.776 0.667 15.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -3.218 1.085 17.288 1.00 0.00 H new ATOM 1098 N VAL A 71 -4.457 6.683 11.682 1.00 0.00 N ATOM 1099 CA VAL A 71 -3.916 7.986 11.313 1.00 0.00 C ATOM 1100 C VAL A 71 -4.428 8.426 9.947 1.00 0.00 C ATOM 1101 O VAL A 71 -4.022 7.906 8.907 1.00 0.00 O ATOM 1102 CB VAL A 71 -2.376 7.969 11.292 1.00 0.00 C ATOM 1103 CG1 VAL A 71 -1.866 6.766 10.512 1.00 0.00 C ATOM 1104 CG2 VAL A 71 -1.838 9.264 10.703 1.00 0.00 C ATOM 0 H VAL A 71 -4.938 6.197 10.925 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.253 8.695 12.069 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.016 7.886 12.318 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.776 6.771 10.508 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -2.223 5.850 10.982 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -2.233 6.815 9.487 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.748 9.235 10.696 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -2.205 9.380 9.683 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.175 10.106 11.308 1.00 0.00 H new ATOM 1114 N PRO A 72 -5.341 9.409 9.946 1.00 0.00 N ATOM 1115 CA PRO A 72 -5.928 9.943 8.713 1.00 0.00 C ATOM 1116 C PRO A 72 -4.923 10.743 7.891 1.00 0.00 C ATOM 1117 O PRO A 72 -5.100 10.934 6.688 1.00 0.00 O ATOM 1118 CB PRO A 72 -7.049 10.853 9.219 1.00 0.00 C ATOM 1119 CG PRO A 72 -6.625 11.250 10.591 1.00 0.00 C ATOM 1120 CD PRO A 72 -5.870 10.075 11.148 1.00 0.00 C ATOM 0 HA PRO A 72 -6.271 9.150 8.049 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.173 11.724 8.575 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -8.006 10.331 9.236 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.996 12.140 10.563 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -7.488 11.489 11.212 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -5.070 10.392 11.817 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -6.521 9.414 11.720 1.00 0.00 H new ATOM 1128 N THR A 73 -3.865 11.209 8.549 1.00 0.00 N ATOM 1129 CA THR A 73 -2.832 11.988 7.879 1.00 0.00 C ATOM 1130 C THR A 73 -1.799 11.081 7.220 1.00 0.00 C ATOM 1131 O THR A 73 -0.691 11.514 6.905 1.00 0.00 O ATOM 1132 CB THR A 73 -2.115 12.933 8.863 1.00 0.00 C ATOM 1133 OG1 THR A 73 -1.330 12.173 9.788 1.00 0.00 O ATOM 1134 CG2 THR A 73 -3.120 13.786 9.623 1.00 0.00 C ATOM 0 H THR A 73 -3.702 11.060 9.545 1.00 0.00 H new ATOM 0 HA THR A 73 -3.331 12.582 7.113 1.00 0.00 H new ATOM 0 HB THR A 73 -1.463 13.592 8.290 1.00 0.00 H new ATOM 0 HG1 THR A 73 -0.876 12.781 10.409 1.00 0.00 H new ATOM 0 HG21 THR A 73 -2.591 14.445 10.311 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.696 14.385 8.918 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.794 13.140 10.185 1.00 0.00 H new ATOM 1142 N GLU A 74 -2.171 9.822 7.013 1.00 0.00 N ATOM 1143 CA GLU A 74 -1.275 8.854 6.391 1.00 0.00 C ATOM 1144 C GLU A 74 -1.989 8.085 5.283 1.00 0.00 C ATOM 1145 O GLU A 74 -3.083 7.556 5.486 1.00 0.00 O ATOM 1146 CB GLU A 74 -0.734 7.879 7.438 1.00 0.00 C ATOM 1147 CG GLU A 74 0.565 8.334 8.081 1.00 0.00 C ATOM 1148 CD GLU A 74 1.785 7.950 7.266 1.00 0.00 C ATOM 1149 OE1 GLU A 74 1.789 8.215 6.045 1.00 0.00 O ATOM 1150 OE2 GLU A 74 2.735 7.386 7.848 1.00 0.00 O ATOM 0 H GLU A 74 -3.086 9.449 7.267 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.441 9.401 5.950 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.485 7.741 8.216 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.577 6.907 6.970 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.544 9.416 8.208 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.646 7.898 9.077 1.00 0.00 H new ATOM 1157 N ARG A 75 -1.364 8.027 4.112 1.00 0.00 N ATOM 1158 CA ARG A 75 -1.940 7.324 2.972 1.00 0.00 C ATOM 1159 C ARG A 75 -1.017 6.205 2.501 1.00 0.00 C ATOM 1160 O ARG A 75 -1.004 5.853 1.321 1.00 0.00 O ATOM 1161 CB ARG A 75 -2.203 8.301 1.824 1.00 0.00 C ATOM 1162 CG ARG A 75 -3.602 8.895 1.839 1.00 0.00 C ATOM 1163 CD ARG A 75 -3.661 10.158 2.685 1.00 0.00 C ATOM 1164 NE ARG A 75 -2.791 11.208 2.163 1.00 0.00 N ATOM 1165 CZ ARG A 75 -1.545 11.404 2.579 1.00 0.00 C ATOM 1166 NH1 ARG A 75 -1.026 10.625 3.518 1.00 0.00 N ATOM 1167 NH2 ARG A 75 -0.815 12.381 2.056 1.00 0.00 N ATOM 0 H ARG A 75 -0.458 8.458 3.928 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.885 6.883 3.288 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.474 9.109 1.872 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.046 7.786 0.876 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.913 9.124 0.819 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.306 8.161 2.230 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -4.688 10.523 2.721 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.370 9.922 3.709 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.160 11.825 1.439 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.584 9.873 3.923 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.069 10.778 3.836 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.211 12.983 1.334 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.142 12.530 2.376 1.00 0.00 H new ATOM 1181 N SER A 76 -0.245 5.650 3.430 1.00 0.00 N ATOM 1182 CA SER A 76 0.684 4.573 3.109 1.00 0.00 C ATOM 1183 C SER A 76 0.965 3.713 4.337 1.00 0.00 C ATOM 1184 O SER A 76 1.070 4.221 5.453 1.00 0.00 O ATOM 1185 CB SER A 76 1.994 5.147 2.564 1.00 0.00 C ATOM 1186 OG SER A 76 2.620 5.986 3.519 1.00 0.00 O ATOM 0 H SER A 76 -0.245 5.929 4.411 1.00 0.00 H new ATOM 0 HA SER A 76 0.224 3.946 2.345 1.00 0.00 H new ATOM 0 HB2 SER A 76 2.667 4.333 2.294 1.00 0.00 H new ATOM 0 HB3 SER A 76 1.796 5.712 1.653 1.00 0.00 H new ATOM 0 HG SER A 76 3.455 6.338 3.147 1.00 0.00 H new ATOM 1192 N ALA A 77 1.086 2.407 4.122 1.00 0.00 N ATOM 1193 CA ALA A 77 1.357 1.476 5.211 1.00 0.00 C ATOM 1194 C ALA A 77 2.306 0.369 4.763 1.00 0.00 C ATOM 1195 O ALA A 77 2.732 0.333 3.609 1.00 0.00 O ATOM 1196 CB ALA A 77 0.057 0.881 5.732 1.00 0.00 C ATOM 0 H ALA A 77 1.001 1.970 3.204 1.00 0.00 H new ATOM 0 HA ALA A 77 1.840 2.028 6.017 1.00 0.00 H new ATOM 0 HB1 ALA A 77 0.274 0.188 6.545 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.587 1.680 6.099 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.448 0.349 4.926 1.00 0.00 H new ATOM 1202 N VAL A 78 2.633 -0.532 5.684 1.00 0.00 N ATOM 1203 CA VAL A 78 3.531 -1.640 5.383 1.00 0.00 C ATOM 1204 C VAL A 78 3.084 -2.916 6.088 1.00 0.00 C ATOM 1205 O VAL A 78 3.043 -2.977 7.317 1.00 0.00 O ATOM 1206 CB VAL A 78 4.979 -1.318 5.799 1.00 0.00 C ATOM 1207 CG1 VAL A 78 5.896 -2.493 5.496 1.00 0.00 C ATOM 1208 CG2 VAL A 78 5.465 -0.057 5.099 1.00 0.00 C ATOM 0 H VAL A 78 2.289 -0.516 6.644 1.00 0.00 H new ATOM 0 HA VAL A 78 3.496 -1.792 4.304 1.00 0.00 H new ATOM 0 HB VAL A 78 4.999 -1.141 6.874 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.914 -2.247 5.797 1.00 0.00 H new ATOM 0 HG12 VAL A 78 5.557 -3.370 6.047 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.875 -2.705 4.427 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.490 0.156 5.404 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.431 -0.204 4.019 1.00 0.00 H new ATOM 0 HG23 VAL A 78 4.823 0.781 5.372 1.00 0.00 H new ATOM 1218 N LEU A 79 2.751 -3.934 5.302 1.00 0.00 N ATOM 1219 CA LEU A 79 2.308 -5.211 5.850 1.00 0.00 C ATOM 1220 C LEU A 79 3.492 -6.142 6.087 1.00 0.00 C ATOM 1221 O LEU A 79 4.140 -6.592 5.142 1.00 0.00 O ATOM 1222 CB LEU A 79 1.304 -5.873 4.904 1.00 0.00 C ATOM 1223 CG LEU A 79 0.139 -4.998 4.442 1.00 0.00 C ATOM 1224 CD1 LEU A 79 -0.498 -5.576 3.188 1.00 0.00 C ATOM 1225 CD2 LEU A 79 -0.894 -4.856 5.550 1.00 0.00 C ATOM 0 H LEU A 79 2.779 -3.900 4.283 1.00 0.00 H new ATOM 0 HA LEU A 79 1.824 -5.019 6.808 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.842 -6.222 4.022 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.896 -6.755 5.399 1.00 0.00 H new ATOM 0 HG LEU A 79 0.526 -4.007 4.205 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.325 -4.940 2.874 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.245 -5.625 2.392 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.871 -6.579 3.398 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.716 -4.230 5.203 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.276 -5.841 5.819 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.431 -4.396 6.423 1.00 0.00 H new ATOM 1237 N VAL A 80 3.767 -6.430 7.355 1.00 0.00 N ATOM 1238 CA VAL A 80 4.871 -7.311 7.717 1.00 0.00 C ATOM 1239 C VAL A 80 4.368 -8.708 8.063 1.00 0.00 C ATOM 1240 O VAL A 80 3.182 -9.005 7.922 1.00 0.00 O ATOM 1241 CB VAL A 80 5.666 -6.753 8.912 1.00 0.00 C ATOM 1242 CG1 VAL A 80 6.212 -5.370 8.591 1.00 0.00 C ATOM 1243 CG2 VAL A 80 4.797 -6.716 10.159 1.00 0.00 C ATOM 0 H VAL A 80 3.240 -6.066 8.149 1.00 0.00 H new ATOM 0 HA VAL A 80 5.528 -7.369 6.849 1.00 0.00 H new ATOM 0 HB VAL A 80 6.510 -7.415 9.105 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.771 -4.992 9.447 1.00 0.00 H new ATOM 0 HG12 VAL A 80 6.872 -5.431 7.725 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.385 -4.695 8.370 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.375 -6.319 10.994 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.932 -6.078 9.981 1.00 0.00 H new ATOM 0 HG23 VAL A 80 4.460 -7.725 10.398 1.00 0.00 H new ATOM 1253 N ASN A 81 5.278 -9.563 8.518 1.00 0.00 N ATOM 1254 CA ASN A 81 4.927 -10.930 8.885 1.00 0.00 C ATOM 1255 C ASN A 81 4.073 -11.582 7.803 1.00 0.00 C ATOM 1256 O ASN A 81 3.054 -12.210 8.094 1.00 0.00 O ATOM 1257 CB ASN A 81 4.179 -10.946 10.220 1.00 0.00 C ATOM 1258 CG ASN A 81 2.875 -10.174 10.160 1.00 0.00 C ATOM 1259 OD1 ASN A 81 1.961 -10.533 9.416 1.00 0.00 O ATOM 1260 ND2 ASN A 81 2.782 -9.107 10.945 1.00 0.00 N ATOM 0 H ASN A 81 6.264 -9.333 8.641 1.00 0.00 H new ATOM 0 HA ASN A 81 5.850 -11.500 8.987 1.00 0.00 H new ATOM 0 HB2 ASN A 81 3.975 -11.978 10.507 1.00 0.00 H new ATOM 0 HB3 ASN A 81 4.815 -10.520 10.995 1.00 0.00 H new ATOM 0 HD21 ASN A 81 1.929 -8.548 10.947 1.00 0.00 H new ATOM 0 HD22 ASN A 81 3.564 -8.846 11.546 1.00 0.00 H new ATOM 1267 N LEU A 82 4.495 -11.429 6.552 1.00 0.00 N ATOM 1268 CA LEU A 82 3.769 -12.003 5.424 1.00 0.00 C ATOM 1269 C LEU A 82 4.413 -13.309 4.970 1.00 0.00 C ATOM 1270 O LEU A 82 5.534 -13.631 5.365 1.00 0.00 O ATOM 1271 CB LEU A 82 3.726 -11.010 4.261 1.00 0.00 C ATOM 1272 CG LEU A 82 2.882 -9.754 4.481 1.00 0.00 C ATOM 1273 CD1 LEU A 82 2.911 -8.869 3.245 1.00 0.00 C ATOM 1274 CD2 LEU A 82 1.451 -10.129 4.838 1.00 0.00 C ATOM 0 H LEU A 82 5.336 -10.913 6.293 1.00 0.00 H new ATOM 0 HA LEU A 82 2.751 -12.216 5.749 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.747 -10.702 4.034 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.347 -11.529 3.381 1.00 0.00 H new ATOM 0 HG LEU A 82 3.308 -9.194 5.314 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.305 -7.980 3.420 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.938 -8.572 3.034 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.510 -9.420 2.394 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.865 -9.223 4.991 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.014 -10.711 4.027 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.448 -10.722 5.753 1.00 0.00 H new ATOM 1286 N LYS A 83 3.699 -14.056 4.136 1.00 0.00 N ATOM 1287 CA LYS A 83 4.201 -15.325 3.623 1.00 0.00 C ATOM 1288 C LYS A 83 5.141 -15.102 2.444 1.00 0.00 C ATOM 1289 O LYS A 83 4.978 -14.153 1.676 1.00 0.00 O ATOM 1290 CB LYS A 83 3.037 -16.224 3.199 1.00 0.00 C ATOM 1291 CG LYS A 83 3.446 -17.661 2.927 1.00 0.00 C ATOM 1292 CD LYS A 83 3.588 -18.454 4.216 1.00 0.00 C ATOM 1293 CE LYS A 83 4.061 -19.874 3.947 1.00 0.00 C ATOM 1294 NZ LYS A 83 4.681 -20.489 5.153 1.00 0.00 N ATOM 0 H LYS A 83 2.769 -13.804 3.800 1.00 0.00 H new ATOM 0 HA LYS A 83 4.759 -15.815 4.421 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.277 -16.213 3.980 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.577 -15.810 2.302 1.00 0.00 H new ATOM 0 HG2 LYS A 83 2.703 -18.136 2.286 1.00 0.00 H new ATOM 0 HG3 LYS A 83 4.391 -17.675 2.384 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.295 -17.953 4.877 1.00 0.00 H new ATOM 0 HD3 LYS A 83 2.630 -18.481 4.736 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.217 -20.483 3.622 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.783 -19.868 3.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 4.990 -21.456 4.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 5.502 -19.923 5.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 3.984 -20.518 5.925 1.00 0.00 H new ATOM 1308 N LYS A 84 6.126 -15.983 2.303 1.00 0.00 N ATOM 1309 CA LYS A 84 7.092 -15.885 1.215 1.00 0.00 C ATOM 1310 C LYS A 84 6.738 -16.846 0.084 1.00 0.00 C ATOM 1311 O LYS A 84 6.383 -17.999 0.325 1.00 0.00 O ATOM 1312 CB LYS A 84 8.502 -16.183 1.729 1.00 0.00 C ATOM 1313 CG LYS A 84 8.865 -15.417 2.989 1.00 0.00 C ATOM 1314 CD LYS A 84 9.832 -16.201 3.859 1.00 0.00 C ATOM 1315 CE LYS A 84 11.232 -16.215 3.264 1.00 0.00 C ATOM 1316 NZ LYS A 84 12.035 -15.041 3.707 1.00 0.00 N ATOM 0 H LYS A 84 6.276 -16.774 2.929 1.00 0.00 H new ATOM 0 HA LYS A 84 7.061 -14.867 0.826 1.00 0.00 H new ATOM 0 HB2 LYS A 84 8.590 -17.252 1.926 1.00 0.00 H new ATOM 0 HB3 LYS A 84 9.223 -15.943 0.947 1.00 0.00 H new ATOM 0 HG2 LYS A 84 9.312 -14.460 2.718 1.00 0.00 H new ATOM 0 HG3 LYS A 84 7.960 -15.197 3.556 1.00 0.00 H new ATOM 0 HD2 LYS A 84 9.864 -15.762 4.856 1.00 0.00 H new ATOM 0 HD3 LYS A 84 9.474 -17.224 3.972 1.00 0.00 H new ATOM 0 HE2 LYS A 84 11.741 -17.134 3.555 1.00 0.00 H new ATOM 0 HE3 LYS A 84 11.164 -16.219 2.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 12.294 -14.466 2.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 11.474 -14.466 4.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 12.899 -15.371 4.183 1.00 0.00 H new ATOM 1330 N GLY A 85 6.838 -16.363 -1.150 1.00 0.00 N ATOM 1331 CA GLY A 85 6.526 -17.193 -2.299 1.00 0.00 C ATOM 1332 C GLY A 85 5.041 -17.464 -2.432 1.00 0.00 C ATOM 1333 O GLY A 85 4.614 -18.618 -2.470 1.00 0.00 O ATOM 0 H GLY A 85 7.129 -15.412 -1.375 1.00 0.00 H new ATOM 0 HA2 GLY A 85 6.886 -16.704 -3.205 1.00 0.00 H new ATOM 0 HA3 GLY A 85 7.059 -18.140 -2.215 1.00 0.00 H new ATOM 1337 N VAL A 86 4.250 -16.398 -2.502 1.00 0.00 N ATOM 1338 CA VAL A 86 2.803 -16.526 -2.631 1.00 0.00 C ATOM 1339 C VAL A 86 2.153 -15.172 -2.891 1.00 0.00 C ATOM 1340 O VAL A 86 2.570 -14.153 -2.339 1.00 0.00 O ATOM 1341 CB VAL A 86 2.180 -17.149 -1.368 1.00 0.00 C ATOM 1342 CG1 VAL A 86 2.541 -16.332 -0.136 1.00 0.00 C ATOM 1343 CG2 VAL A 86 0.671 -17.262 -1.519 1.00 0.00 C ATOM 0 H VAL A 86 4.587 -15.436 -2.472 1.00 0.00 H new ATOM 0 HA VAL A 86 2.617 -17.184 -3.480 1.00 0.00 H new ATOM 0 HB VAL A 86 2.586 -18.153 -1.241 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.092 -16.787 0.747 1.00 0.00 H new ATOM 0 HG12 VAL A 86 3.625 -16.307 -0.020 1.00 0.00 H new ATOM 0 HG13 VAL A 86 2.165 -15.315 -0.251 1.00 0.00 H new ATOM 0 HG21 VAL A 86 0.247 -17.704 -0.617 1.00 0.00 H new ATOM 0 HG22 VAL A 86 0.245 -16.270 -1.671 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.437 -17.893 -2.377 1.00 0.00 H new ATOM 1353 N THR A 87 1.126 -15.167 -3.735 1.00 0.00 N ATOM 1354 CA THR A 87 0.417 -13.938 -4.069 1.00 0.00 C ATOM 1355 C THR A 87 -0.393 -13.430 -2.882 1.00 0.00 C ATOM 1356 O THR A 87 -0.827 -14.211 -2.035 1.00 0.00 O ATOM 1357 CB THR A 87 -0.527 -14.143 -5.269 1.00 0.00 C ATOM 1358 OG1 THR A 87 0.145 -14.871 -6.303 1.00 0.00 O ATOM 1359 CG2 THR A 87 -1.007 -12.806 -5.814 1.00 0.00 C ATOM 0 H THR A 87 0.767 -16.001 -4.200 1.00 0.00 H new ATOM 0 HA THR A 87 1.173 -13.199 -4.332 1.00 0.00 H new ATOM 0 HB THR A 87 -1.393 -14.711 -4.929 1.00 0.00 H new ATOM 0 HG1 THR A 87 -0.463 -14.998 -7.061 1.00 0.00 H new ATOM 0 HG21 THR A 87 -1.672 -12.976 -6.661 1.00 0.00 H new ATOM 0 HG22 THR A 87 -1.544 -12.266 -5.034 1.00 0.00 H new ATOM 0 HG23 THR A 87 -0.150 -12.217 -6.139 1.00 0.00 H new ATOM 1367 N TYR A 88 -0.592 -12.118 -2.826 1.00 0.00 N ATOM 1368 CA TYR A 88 -1.348 -11.506 -1.740 1.00 0.00 C ATOM 1369 C TYR A 88 -2.297 -10.436 -2.273 1.00 0.00 C ATOM 1370 O TYR A 88 -1.879 -9.511 -2.968 1.00 0.00 O ATOM 1371 CB TYR A 88 -0.398 -10.893 -0.711 1.00 0.00 C ATOM 1372 CG TYR A 88 -0.021 -11.841 0.405 1.00 0.00 C ATOM 1373 CD1 TYR A 88 -0.844 -12.003 1.513 1.00 0.00 C ATOM 1374 CD2 TYR A 88 1.159 -12.573 0.353 1.00 0.00 C ATOM 1375 CE1 TYR A 88 -0.503 -12.867 2.536 1.00 0.00 C ATOM 1376 CE2 TYR A 88 1.506 -13.441 1.370 1.00 0.00 C ATOM 1377 CZ TYR A 88 0.672 -13.584 2.459 1.00 0.00 C ATOM 1378 OH TYR A 88 1.016 -14.447 3.475 1.00 0.00 O ATOM 0 H TYR A 88 -0.240 -11.458 -3.520 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.940 -12.285 -1.259 1.00 0.00 H new ATOM 0 HB2 TYR A 88 0.509 -10.563 -1.218 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -0.864 -10.006 -0.281 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -1.766 -11.444 1.576 1.00 0.00 H new ATOM 0 HD2 TYR A 88 1.816 -12.461 -0.497 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -1.153 -12.980 3.391 1.00 0.00 H new ATOM 0 HE2 TYR A 88 2.425 -14.005 1.313 1.00 0.00 H new ATOM 0 HH TYR A 88 0.707 -15.351 3.255 1.00 0.00 H new ATOM 1388 N GLU A 89 -3.577 -10.571 -1.940 1.00 0.00 N ATOM 1389 CA GLU A 89 -4.586 -9.617 -2.385 1.00 0.00 C ATOM 1390 C GLU A 89 -4.902 -8.607 -1.285 1.00 0.00 C ATOM 1391 O GLU A 89 -5.468 -8.958 -0.249 1.00 0.00 O ATOM 1392 CB GLU A 89 -5.864 -10.349 -2.802 1.00 0.00 C ATOM 1393 CG GLU A 89 -6.901 -9.444 -3.445 1.00 0.00 C ATOM 1394 CD GLU A 89 -6.640 -9.213 -4.920 1.00 0.00 C ATOM 1395 OE1 GLU A 89 -7.046 -10.069 -5.735 1.00 0.00 O ATOM 1396 OE2 GLU A 89 -6.031 -8.178 -5.261 1.00 0.00 O ATOM 0 H GLU A 89 -3.939 -11.331 -1.364 1.00 0.00 H new ATOM 0 HA GLU A 89 -4.186 -9.080 -3.245 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -5.605 -11.145 -3.500 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.303 -10.825 -1.925 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.890 -9.885 -3.320 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.912 -8.485 -2.927 1.00 0.00 H new ATOM 1403 N ILE A 90 -4.532 -7.352 -1.518 1.00 0.00 N ATOM 1404 CA ILE A 90 -4.775 -6.292 -0.549 1.00 0.00 C ATOM 1405 C ILE A 90 -5.588 -5.159 -1.166 1.00 0.00 C ATOM 1406 O ILE A 90 -5.442 -4.847 -2.348 1.00 0.00 O ATOM 1407 CB ILE A 90 -3.456 -5.720 0.004 1.00 0.00 C ATOM 1408 CG1 ILE A 90 -2.506 -6.855 0.391 1.00 0.00 C ATOM 1409 CG2 ILE A 90 -3.729 -4.820 1.200 1.00 0.00 C ATOM 1410 CD1 ILE A 90 -1.626 -7.321 -0.749 1.00 0.00 C ATOM 0 H ILE A 90 -4.063 -7.045 -2.370 1.00 0.00 H new ATOM 0 HA ILE A 90 -5.340 -6.737 0.270 1.00 0.00 H new ATOM 0 HB ILE A 90 -2.981 -5.123 -0.774 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -1.874 -6.524 1.215 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -3.091 -7.699 0.756 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -2.787 -4.424 1.579 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -4.373 -3.995 0.895 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -4.222 -5.395 1.983 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -0.979 -8.127 -0.403 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -2.250 -7.683 -1.566 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -1.015 -6.490 -1.100 1.00 0.00 H new ATOM 1422 N LYS A 91 -6.445 -4.544 -0.358 1.00 0.00 N ATOM 1423 CA LYS A 91 -7.280 -3.442 -0.822 1.00 0.00 C ATOM 1424 C LYS A 91 -7.417 -2.372 0.256 1.00 0.00 C ATOM 1425 O LYS A 91 -7.487 -2.680 1.446 1.00 0.00 O ATOM 1426 CB LYS A 91 -8.663 -3.958 -1.223 1.00 0.00 C ATOM 1427 CG LYS A 91 -9.673 -3.937 -0.089 1.00 0.00 C ATOM 1428 CD LYS A 91 -9.349 -4.982 0.965 1.00 0.00 C ATOM 1429 CE LYS A 91 -9.686 -6.384 0.481 1.00 0.00 C ATOM 1430 NZ LYS A 91 -11.154 -6.635 0.488 1.00 0.00 N ATOM 0 H LYS A 91 -6.580 -4.790 0.623 1.00 0.00 H new ATOM 0 HA LYS A 91 -6.799 -2.996 -1.692 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.042 -3.354 -2.047 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.567 -4.978 -1.594 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -9.686 -2.948 0.370 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -10.672 -4.117 -0.487 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -8.290 -4.928 1.219 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -9.907 -4.766 1.876 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.299 -6.523 -0.528 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -9.189 -7.117 1.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -11.372 -7.402 1.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -11.653 -5.770 0.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.464 -6.909 -0.466 1.00 0.00 H new ATOM 1444 N VAL A 92 -7.458 -1.113 -0.168 1.00 0.00 N ATOM 1445 CA VAL A 92 -7.590 0.003 0.761 1.00 0.00 C ATOM 1446 C VAL A 92 -8.999 0.584 0.724 1.00 0.00 C ATOM 1447 O VAL A 92 -9.565 0.800 -0.347 1.00 0.00 O ATOM 1448 CB VAL A 92 -6.577 1.120 0.444 1.00 0.00 C ATOM 1449 CG1 VAL A 92 -6.671 2.234 1.476 1.00 0.00 C ATOM 1450 CG2 VAL A 92 -5.166 0.557 0.383 1.00 0.00 C ATOM 0 H VAL A 92 -7.402 -0.840 -1.149 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.387 -0.389 1.758 1.00 0.00 H new ATOM 0 HB VAL A 92 -6.819 1.540 -0.532 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.948 3.014 1.236 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -7.676 2.655 1.466 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.456 1.832 2.466 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.463 1.359 0.158 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.911 0.110 1.344 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.111 -0.203 -0.397 1.00 0.00 H new ATOM 1460 N ARG A 93 -9.560 0.836 1.903 1.00 0.00 N ATOM 1461 CA ARG A 93 -10.903 1.392 2.006 1.00 0.00 C ATOM 1462 C ARG A 93 -11.027 2.290 3.233 1.00 0.00 C ATOM 1463 O ARG A 93 -10.696 1.902 4.354 1.00 0.00 O ATOM 1464 CB ARG A 93 -11.939 0.269 2.077 1.00 0.00 C ATOM 1465 CG ARG A 93 -11.643 -0.767 3.150 1.00 0.00 C ATOM 1466 CD ARG A 93 -12.912 -1.456 3.625 1.00 0.00 C ATOM 1467 NE ARG A 93 -13.527 -2.258 2.571 1.00 0.00 N ATOM 1468 CZ ARG A 93 -13.105 -3.472 2.231 1.00 0.00 C ATOM 1469 NH1 ARG A 93 -12.074 -4.019 2.859 1.00 0.00 N ATOM 1470 NH2 ARG A 93 -13.716 -4.140 1.261 1.00 0.00 N ATOM 0 H ARG A 93 -9.105 0.664 2.799 1.00 0.00 H new ATOM 0 HA ARG A 93 -11.089 1.993 1.116 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -12.921 0.704 2.265 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -11.990 -0.228 1.108 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -10.949 -1.511 2.758 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -11.151 -0.286 3.995 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -12.680 -2.094 4.478 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -13.623 -0.706 3.972 1.00 0.00 H new ATOM 0 HE ARG A 93 -14.323 -1.866 2.069 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -11.602 -3.508 3.605 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -11.752 -4.951 2.596 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -14.510 -3.722 0.776 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -13.392 -5.071 1.001 1.00 0.00 H new ATOM 1484 N PRO A 94 -11.515 3.521 3.019 1.00 0.00 N ATOM 1485 CA PRO A 94 -11.693 4.501 4.095 1.00 0.00 C ATOM 1486 C PRO A 94 -12.819 4.115 5.049 1.00 0.00 C ATOM 1487 O PRO A 94 -13.702 3.332 4.698 1.00 0.00 O ATOM 1488 CB PRO A 94 -12.044 5.789 3.348 1.00 0.00 C ATOM 1489 CG PRO A 94 -12.639 5.331 2.061 1.00 0.00 C ATOM 1490 CD PRO A 94 -11.930 4.052 1.709 1.00 0.00 C ATOM 0 HA PRO A 94 -10.805 4.584 4.721 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -12.749 6.396 3.916 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -11.159 6.402 3.179 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -13.712 5.167 2.163 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -12.504 6.080 1.280 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -12.588 3.359 1.184 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -11.074 4.233 1.059 1.00 0.00 H new ATOM 1498 N TYR A 95 -12.781 4.669 6.256 1.00 0.00 N ATOM 1499 CA TYR A 95 -13.797 4.381 7.261 1.00 0.00 C ATOM 1500 C TYR A 95 -13.755 5.408 8.388 1.00 0.00 C ATOM 1501 O TYR A 95 -12.689 5.910 8.746 1.00 0.00 O ATOM 1502 CB TYR A 95 -13.598 2.975 7.830 1.00 0.00 C ATOM 1503 CG TYR A 95 -12.576 2.911 8.942 1.00 0.00 C ATOM 1504 CD1 TYR A 95 -12.916 3.255 10.245 1.00 0.00 C ATOM 1505 CD2 TYR A 95 -11.271 2.507 8.692 1.00 0.00 C ATOM 1506 CE1 TYR A 95 -11.986 3.199 11.265 1.00 0.00 C ATOM 1507 CE2 TYR A 95 -10.334 2.446 9.705 1.00 0.00 C ATOM 1508 CZ TYR A 95 -10.697 2.793 10.990 1.00 0.00 C ATOM 1509 OH TYR A 95 -9.767 2.736 12.003 1.00 0.00 O ATOM 0 H TYR A 95 -12.058 5.320 6.562 1.00 0.00 H new ATOM 0 HA TYR A 95 -14.773 4.436 6.780 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -14.553 2.605 8.204 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -13.290 2.307 7.026 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -13.925 3.572 10.464 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -10.983 2.236 7.687 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -12.267 3.472 12.272 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -9.324 2.129 9.493 1.00 0.00 H new ATOM 0 HH TYR A 95 -8.909 2.430 11.642 1.00 0.00 H new ATOM 1519 N PHE A 96 -14.922 5.714 8.944 1.00 0.00 N ATOM 1520 CA PHE A 96 -15.021 6.682 10.031 1.00 0.00 C ATOM 1521 C PHE A 96 -15.077 5.977 11.383 1.00 0.00 C ATOM 1522 O PHE A 96 -14.108 5.985 12.140 1.00 0.00 O ATOM 1523 CB PHE A 96 -16.259 7.561 9.849 1.00 0.00 C ATOM 1524 CG PHE A 96 -16.415 8.607 10.916 1.00 0.00 C ATOM 1525 CD1 PHE A 96 -15.444 9.578 11.099 1.00 0.00 C ATOM 1526 CD2 PHE A 96 -17.531 8.618 11.736 1.00 0.00 C ATOM 1527 CE1 PHE A 96 -15.584 10.542 12.080 1.00 0.00 C ATOM 1528 CE2 PHE A 96 -17.677 9.579 12.718 1.00 0.00 C ATOM 1529 CZ PHE A 96 -16.701 10.542 12.891 1.00 0.00 C ATOM 0 H PHE A 96 -15.813 5.306 8.660 1.00 0.00 H new ATOM 0 HA PHE A 96 -14.131 7.311 10.006 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -16.207 8.051 8.877 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -17.146 6.928 9.840 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -14.568 9.582 10.468 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -18.296 7.867 11.606 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -14.820 11.294 12.212 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -18.553 9.578 13.350 1.00 0.00 H new ATOM 0 HZ PHE A 96 -16.812 11.293 13.659 1.00 0.00 H new ATOM 1539 N ASN A 97 -16.222 5.369 11.679 1.00 0.00 N ATOM 1540 CA ASN A 97 -16.407 4.660 12.940 1.00 0.00 C ATOM 1541 C ASN A 97 -16.575 3.162 12.702 1.00 0.00 C ATOM 1542 O ASN A 97 -15.835 2.349 13.256 1.00 0.00 O ATOM 1543 CB ASN A 97 -17.625 5.210 13.684 1.00 0.00 C ATOM 1544 CG ASN A 97 -17.281 6.403 14.555 1.00 0.00 C ATOM 1545 OD1 ASN A 97 -16.229 7.021 14.392 1.00 0.00 O ATOM 1546 ND2 ASN A 97 -18.169 6.731 15.486 1.00 0.00 N ATOM 0 H ASN A 97 -17.035 5.353 11.063 1.00 0.00 H new ATOM 0 HA ASN A 97 -15.517 4.815 13.550 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -18.388 5.499 12.962 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -18.055 4.423 14.304 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -17.992 7.524 16.102 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -19.028 6.190 15.585 1.00 0.00 H new ATOM 1553 N GLU A 98 -17.553 2.806 11.875 1.00 0.00 N ATOM 1554 CA GLU A 98 -17.818 1.406 11.565 1.00 0.00 C ATOM 1555 C GLU A 98 -17.979 1.203 10.061 1.00 0.00 C ATOM 1556 O GLU A 98 -17.428 0.263 9.487 1.00 0.00 O ATOM 1557 CB GLU A 98 -19.076 0.929 12.292 1.00 0.00 C ATOM 1558 CG GLU A 98 -20.282 1.828 12.078 1.00 0.00 C ATOM 1559 CD GLU A 98 -21.488 1.390 12.886 1.00 0.00 C ATOM 1560 OE1 GLU A 98 -22.073 0.338 12.553 1.00 0.00 O ATOM 1561 OE2 GLU A 98 -21.847 2.099 13.849 1.00 0.00 O ATOM 0 H GLU A 98 -18.174 3.467 11.408 1.00 0.00 H new ATOM 0 HA GLU A 98 -16.966 0.818 11.905 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -19.320 -0.078 11.955 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -18.866 0.865 13.360 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -20.020 2.851 12.349 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -20.542 1.835 11.019 1.00 0.00 H new ATOM 1568 N PHE A 99 -18.738 2.091 9.428 1.00 0.00 N ATOM 1569 CA PHE A 99 -18.974 2.010 7.991 1.00 0.00 C ATOM 1570 C PHE A 99 -17.676 2.209 7.215 1.00 0.00 C ATOM 1571 O PHE A 99 -16.687 2.702 7.757 1.00 0.00 O ATOM 1572 CB PHE A 99 -20.004 3.056 7.562 1.00 0.00 C ATOM 1573 CG PHE A 99 -19.804 4.396 8.211 1.00 0.00 C ATOM 1574 CD1 PHE A 99 -18.977 5.345 7.632 1.00 0.00 C ATOM 1575 CD2 PHE A 99 -20.444 4.706 9.400 1.00 0.00 C ATOM 1576 CE1 PHE A 99 -18.791 6.578 8.228 1.00 0.00 C ATOM 1577 CE2 PHE A 99 -20.261 5.938 10.001 1.00 0.00 C ATOM 1578 CZ PHE A 99 -19.435 6.875 9.413 1.00 0.00 C ATOM 0 H PHE A 99 -19.200 2.875 9.888 1.00 0.00 H new ATOM 0 HA PHE A 99 -19.362 1.016 7.767 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -19.960 3.175 6.479 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -21.003 2.691 7.802 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -18.472 5.119 6.705 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -21.093 3.977 9.863 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -18.143 7.309 7.767 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -20.764 6.167 10.929 1.00 0.00 H new ATOM 0 HZ PHE A 99 -19.293 7.839 9.879 1.00 0.00 H new ATOM 1588 N GLN A 100 -17.688 1.822 5.943 1.00 0.00 N ATOM 1589 CA GLN A 100 -16.512 1.957 5.093 1.00 0.00 C ATOM 1590 C GLN A 100 -16.887 2.537 3.733 1.00 0.00 C ATOM 1591 O GLN A 100 -17.861 2.113 3.113 1.00 0.00 O ATOM 1592 CB GLN A 100 -15.829 0.600 4.911 1.00 0.00 C ATOM 1593 CG GLN A 100 -16.743 -0.468 4.332 1.00 0.00 C ATOM 1594 CD GLN A 100 -17.501 -1.230 5.401 1.00 0.00 C ATOM 1595 OE1 GLN A 100 -16.916 -1.695 6.380 1.00 0.00 O ATOM 1596 NE2 GLN A 100 -18.809 -1.363 5.219 1.00 0.00 N ATOM 0 H GLN A 100 -18.499 1.413 5.479 1.00 0.00 H new ATOM 0 HA GLN A 100 -15.819 2.642 5.581 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -14.966 0.722 4.256 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -15.452 0.260 5.876 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -17.454 -0.001 3.650 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -16.150 -1.168 3.744 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -19.252 -0.961 4.393 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -19.371 -1.867 5.905 1.00 0.00 H new ATOM 1605 N GLY A 101 -16.106 3.511 3.275 1.00 0.00 N ATOM 1606 CA GLY A 101 -16.373 4.134 1.992 1.00 0.00 C ATOM 1607 C GLY A 101 -16.302 3.148 0.843 1.00 0.00 C ATOM 1608 O GLY A 101 -16.753 2.010 0.965 1.00 0.00 O ATOM 0 H GLY A 101 -15.294 3.879 3.770 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -17.362 4.592 2.013 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -15.654 4.935 1.824 1.00 0.00 H new ATOM 1612 N MET A 102 -15.737 3.586 -0.277 1.00 0.00 N ATOM 1613 CA MET A 102 -15.610 2.733 -1.453 1.00 0.00 C ATOM 1614 C MET A 102 -14.253 2.037 -1.476 1.00 0.00 C ATOM 1615 O MET A 102 -13.209 2.690 -1.471 1.00 0.00 O ATOM 1616 CB MET A 102 -15.795 3.557 -2.729 1.00 0.00 C ATOM 1617 CG MET A 102 -17.239 3.638 -3.196 1.00 0.00 C ATOM 1618 SD MET A 102 -17.382 4.063 -4.943 1.00 0.00 S ATOM 1619 CE MET A 102 -16.224 5.426 -5.055 1.00 0.00 C ATOM 0 H MET A 102 -15.360 4.526 -0.395 1.00 0.00 H new ATOM 0 HA MET A 102 -16.388 1.971 -1.404 1.00 0.00 H new ATOM 0 HB2 MET A 102 -15.420 4.566 -2.558 1.00 0.00 H new ATOM 0 HB3 MET A 102 -15.189 3.122 -3.524 1.00 0.00 H new ATOM 0 HG2 MET A 102 -17.729 2.681 -3.018 1.00 0.00 H new ATOM 0 HG3 MET A 102 -17.768 4.382 -2.601 1.00 0.00 H new ATOM 0 HE1 MET A 102 -16.422 5.999 -5.961 1.00 0.00 H new ATOM 0 HE2 MET A 102 -16.338 6.073 -4.185 1.00 0.00 H new ATOM 0 HE3 MET A 102 -15.206 5.037 -5.087 1.00 0.00 H new ATOM 1629 N ASP A 103 -14.275 0.709 -1.500 1.00 0.00 N ATOM 1630 CA ASP A 103 -13.046 -0.076 -1.524 1.00 0.00 C ATOM 1631 C ASP A 103 -12.361 0.029 -2.883 1.00 0.00 C ATOM 1632 O ASP A 103 -12.982 -0.198 -3.921 1.00 0.00 O ATOM 1633 CB ASP A 103 -13.344 -1.540 -1.200 1.00 0.00 C ATOM 1634 CG ASP A 103 -14.578 -2.052 -1.918 1.00 0.00 C ATOM 1635 OD1 ASP A 103 -14.657 -1.887 -3.154 1.00 0.00 O ATOM 1636 OD2 ASP A 103 -15.464 -2.618 -1.244 1.00 0.00 O ATOM 0 H ASP A 103 -15.130 0.153 -1.503 1.00 0.00 H new ATOM 0 HA ASP A 103 -12.373 0.325 -0.766 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -12.486 -2.152 -1.477 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -13.481 -1.651 -0.124 1.00 0.00 H new ATOM 1641 N SER A 104 -11.077 0.374 -2.868 1.00 0.00 N ATOM 1642 CA SER A 104 -10.309 0.514 -4.099 1.00 0.00 C ATOM 1643 C SER A 104 -10.112 -0.841 -4.773 1.00 0.00 C ATOM 1644 O SER A 104 -10.418 -1.883 -4.195 1.00 0.00 O ATOM 1645 CB SER A 104 -8.950 1.153 -3.808 1.00 0.00 C ATOM 1646 OG SER A 104 -8.423 0.692 -2.576 1.00 0.00 O ATOM 0 H SER A 104 -10.547 0.562 -2.017 1.00 0.00 H new ATOM 0 HA SER A 104 -10.869 1.160 -4.776 1.00 0.00 H new ATOM 0 HB2 SER A 104 -8.255 0.920 -4.614 1.00 0.00 H new ATOM 0 HB3 SER A 104 -9.053 2.238 -3.780 1.00 0.00 H new ATOM 0 HG SER A 104 -8.854 1.170 -1.837 1.00 0.00 H new ATOM 1652 N GLU A 105 -9.600 -0.816 -6.000 1.00 0.00 N ATOM 1653 CA GLU A 105 -9.363 -2.042 -6.753 1.00 0.00 C ATOM 1654 C GLU A 105 -8.340 -2.926 -6.046 1.00 0.00 C ATOM 1655 O GLU A 105 -7.192 -2.528 -5.846 1.00 0.00 O ATOM 1656 CB GLU A 105 -8.878 -1.713 -8.166 1.00 0.00 C ATOM 1657 CG GLU A 105 -9.850 -0.855 -8.959 1.00 0.00 C ATOM 1658 CD GLU A 105 -10.843 -1.680 -9.754 1.00 0.00 C ATOM 1659 OE1 GLU A 105 -10.409 -2.398 -10.680 1.00 0.00 O ATOM 1660 OE2 GLU A 105 -12.052 -1.609 -9.452 1.00 0.00 O ATOM 0 H GLU A 105 -9.342 0.039 -6.493 1.00 0.00 H new ATOM 0 HA GLU A 105 -10.305 -2.586 -6.817 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -7.920 -1.197 -8.101 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -8.703 -2.643 -8.707 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -10.392 -0.201 -8.276 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -9.290 -0.213 -9.639 1.00 0.00 H new ATOM 1667 N SER A 106 -8.765 -4.127 -5.668 1.00 0.00 N ATOM 1668 CA SER A 106 -7.889 -5.067 -4.979 1.00 0.00 C ATOM 1669 C SER A 106 -6.617 -5.315 -5.785 1.00 0.00 C ATOM 1670 O SER A 106 -6.671 -5.774 -6.927 1.00 0.00 O ATOM 1671 CB SER A 106 -8.617 -6.390 -4.733 1.00 0.00 C ATOM 1672 OG SER A 106 -8.818 -7.095 -5.946 1.00 0.00 O ATOM 0 H SER A 106 -9.711 -4.472 -5.827 1.00 0.00 H new ATOM 0 HA SER A 106 -7.611 -4.630 -4.020 1.00 0.00 H new ATOM 0 HB2 SER A 106 -8.038 -7.004 -4.043 1.00 0.00 H new ATOM 0 HB3 SER A 106 -9.579 -6.197 -4.258 1.00 0.00 H new ATOM 0 HG SER A 106 -8.210 -6.747 -6.631 1.00 0.00 H new ATOM 1678 N LYS A 107 -5.473 -5.008 -5.184 1.00 0.00 N ATOM 1679 CA LYS A 107 -4.187 -5.198 -5.842 1.00 0.00 C ATOM 1680 C LYS A 107 -3.504 -6.469 -5.347 1.00 0.00 C ATOM 1681 O LYS A 107 -3.530 -6.776 -4.155 1.00 0.00 O ATOM 1682 CB LYS A 107 -3.281 -3.990 -5.595 1.00 0.00 C ATOM 1683 CG LYS A 107 -3.903 -2.668 -6.009 1.00 0.00 C ATOM 1684 CD LYS A 107 -3.783 -2.440 -7.507 1.00 0.00 C ATOM 1685 CE LYS A 107 -4.442 -1.135 -7.927 1.00 0.00 C ATOM 1686 NZ LYS A 107 -4.970 -1.202 -9.318 1.00 0.00 N ATOM 0 H LYS A 107 -5.411 -4.626 -4.240 1.00 0.00 H new ATOM 0 HA LYS A 107 -4.367 -5.297 -6.913 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -3.028 -3.947 -4.536 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -2.347 -4.129 -6.140 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -4.954 -2.653 -5.721 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -3.415 -1.852 -5.476 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -2.731 -2.425 -7.791 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -4.245 -3.270 -8.041 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -5.256 -0.902 -7.241 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -3.719 -0.323 -7.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -5.411 -0.293 -9.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -4.190 -1.399 -9.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -5.679 -1.960 -9.384 1.00 0.00 H new ATOM 1700 N THR A 108 -2.891 -7.204 -6.269 1.00 0.00 N ATOM 1701 CA THR A 108 -2.201 -8.441 -5.926 1.00 0.00 C ATOM 1702 C THR A 108 -0.689 -8.246 -5.927 1.00 0.00 C ATOM 1703 O THR A 108 -0.126 -7.689 -6.870 1.00 0.00 O ATOM 1704 CB THR A 108 -2.561 -9.575 -6.904 1.00 0.00 C ATOM 1705 OG1 THR A 108 -2.771 -9.043 -8.216 1.00 0.00 O ATOM 1706 CG2 THR A 108 -3.811 -10.310 -6.443 1.00 0.00 C ATOM 0 H THR A 108 -2.858 -6.964 -7.260 1.00 0.00 H new ATOM 0 HA THR A 108 -2.528 -8.718 -4.924 1.00 0.00 H new ATOM 0 HB THR A 108 -1.731 -10.281 -6.928 1.00 0.00 H new ATOM 0 HG1 THR A 108 -2.998 -9.771 -8.832 1.00 0.00 H new ATOM 0 HG21 THR A 108 -4.046 -11.106 -7.149 1.00 0.00 H new ATOM 0 HG22 THR A 108 -3.638 -10.739 -5.456 1.00 0.00 H new ATOM 0 HG23 THR A 108 -4.646 -9.611 -6.393 1.00 0.00 H new ATOM 1714 N VAL A 109 -0.036 -8.709 -4.866 1.00 0.00 N ATOM 1715 CA VAL A 109 1.412 -8.586 -4.746 1.00 0.00 C ATOM 1716 C VAL A 109 2.070 -9.955 -4.620 1.00 0.00 C ATOM 1717 O VAL A 109 1.896 -10.649 -3.618 1.00 0.00 O ATOM 1718 CB VAL A 109 1.803 -7.726 -3.529 1.00 0.00 C ATOM 1719 CG1 VAL A 109 1.249 -8.330 -2.248 1.00 0.00 C ATOM 1720 CG2 VAL A 109 3.315 -7.576 -3.448 1.00 0.00 C ATOM 0 H VAL A 109 -0.487 -9.173 -4.077 1.00 0.00 H new ATOM 0 HA VAL A 109 1.765 -8.098 -5.654 1.00 0.00 H new ATOM 0 HB VAL A 109 1.368 -6.734 -3.651 1.00 0.00 H new ATOM 0 HG11 VAL A 109 1.535 -7.709 -1.399 1.00 0.00 H new ATOM 0 HG12 VAL A 109 0.162 -8.381 -2.310 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.652 -9.334 -2.115 1.00 0.00 H new ATOM 0 HG21 VAL A 109 3.574 -6.966 -2.583 1.00 0.00 H new ATOM 0 HG22 VAL A 109 3.773 -8.560 -3.349 1.00 0.00 H new ATOM 0 HG23 VAL A 109 3.682 -7.095 -4.355 1.00 0.00 H new ATOM 1730 N ARG A 110 2.828 -10.338 -5.642 1.00 0.00 N ATOM 1731 CA ARG A 110 3.513 -11.625 -5.646 1.00 0.00 C ATOM 1732 C ARG A 110 4.851 -11.531 -4.919 1.00 0.00 C ATOM 1733 O ARG A 110 5.801 -10.927 -5.418 1.00 0.00 O ATOM 1734 CB ARG A 110 3.733 -12.105 -7.082 1.00 0.00 C ATOM 1735 CG ARG A 110 3.749 -13.618 -7.222 1.00 0.00 C ATOM 1736 CD ARG A 110 3.931 -14.041 -8.672 1.00 0.00 C ATOM 1737 NE ARG A 110 4.596 -15.337 -8.784 1.00 0.00 N ATOM 1738 CZ ARG A 110 5.909 -15.500 -8.673 1.00 0.00 C ATOM 1739 NH1 ARG A 110 6.694 -14.456 -8.447 1.00 0.00 N ATOM 1740 NH2 ARG A 110 6.441 -16.711 -8.787 1.00 0.00 N ATOM 0 H ARG A 110 2.983 -9.775 -6.478 1.00 0.00 H new ATOM 0 HA ARG A 110 2.884 -12.345 -5.122 1.00 0.00 H new ATOM 0 HB2 ARG A 110 2.946 -11.698 -7.717 1.00 0.00 H new ATOM 0 HB3 ARG A 110 4.678 -11.704 -7.449 1.00 0.00 H new ATOM 0 HG2 ARG A 110 4.556 -14.032 -6.617 1.00 0.00 H new ATOM 0 HG3 ARG A 110 2.817 -14.030 -6.836 1.00 0.00 H new ATOM 0 HD2 ARG A 110 2.958 -14.089 -9.161 1.00 0.00 H new ATOM 0 HD3 ARG A 110 4.515 -13.287 -9.199 1.00 0.00 H new ATOM 0 HE ARG A 110 4.020 -16.161 -8.957 1.00 0.00 H new ATOM 0 HH11 ARG A 110 6.290 -13.524 -8.358 1.00 0.00 H new ATOM 0 HH12 ARG A 110 7.702 -14.585 -8.362 1.00 0.00 H new ATOM 0 HH21 ARG A 110 5.841 -17.517 -8.960 1.00 0.00 H new ATOM 0 HH22 ARG A 110 7.450 -16.835 -8.702 1.00 0.00 H new ATOM 1754 N THR A 111 4.919 -12.132 -3.735 1.00 0.00 N ATOM 1755 CA THR A 111 6.139 -12.115 -2.938 1.00 0.00 C ATOM 1756 C THR A 111 7.120 -13.181 -3.412 1.00 0.00 C ATOM 1757 O THR A 111 6.920 -14.374 -3.177 1.00 0.00 O ATOM 1758 CB THR A 111 5.838 -12.339 -1.444 1.00 0.00 C ATOM 1759 OG1 THR A 111 5.342 -13.666 -1.238 1.00 0.00 O ATOM 1760 CG2 THR A 111 4.819 -11.327 -0.941 1.00 0.00 C ATOM 0 H THR A 111 4.143 -12.637 -3.307 1.00 0.00 H new ATOM 0 HA THR A 111 6.587 -11.130 -3.067 1.00 0.00 H new ATOM 0 HB THR A 111 6.764 -12.208 -0.885 1.00 0.00 H new ATOM 0 HG1 THR A 111 5.224 -13.826 -0.278 1.00 0.00 H new ATOM 0 HG21 THR A 111 4.622 -11.504 0.116 1.00 0.00 H new ATOM 0 HG22 THR A 111 5.212 -10.319 -1.073 1.00 0.00 H new ATOM 0 HG23 THR A 111 3.893 -11.432 -1.506 1.00 0.00 H new ATOM 1768 N THR A 112 8.184 -12.746 -4.081 1.00 0.00 N ATOM 1769 CA THR A 112 9.196 -13.663 -4.588 1.00 0.00 C ATOM 1770 C THR A 112 9.585 -14.691 -3.532 1.00 0.00 C ATOM 1771 O THR A 112 9.173 -14.593 -2.377 1.00 0.00 O ATOM 1772 CB THR A 112 10.460 -12.909 -5.043 1.00 0.00 C ATOM 1773 OG1 THR A 112 11.366 -13.813 -5.684 1.00 0.00 O ATOM 1774 CG2 THR A 112 11.149 -12.245 -3.861 1.00 0.00 C ATOM 0 H THR A 112 8.366 -11.763 -4.284 1.00 0.00 H new ATOM 0 HA THR A 112 8.758 -14.174 -5.445 1.00 0.00 H new ATOM 0 HB THR A 112 10.160 -12.135 -5.749 1.00 0.00 H new ATOM 0 HG1 THR A 112 12.243 -13.759 -5.251 1.00 0.00 H new ATOM 0 HG21 THR A 112 12.039 -11.719 -4.207 1.00 0.00 H new ATOM 0 HG22 THR A 112 10.466 -11.535 -3.394 1.00 0.00 H new ATOM 0 HG23 THR A 112 11.436 -13.004 -3.134 1.00 0.00 H new ATOM 1782 N GLU A 113 10.380 -15.676 -3.937 1.00 0.00 N ATOM 1783 CA GLU A 113 10.824 -16.723 -3.024 1.00 0.00 C ATOM 1784 C GLU A 113 12.206 -16.404 -2.461 1.00 0.00 C ATOM 1785 O GLU A 113 12.465 -16.601 -1.274 1.00 0.00 O ATOM 1786 CB GLU A 113 10.852 -18.076 -3.738 1.00 0.00 C ATOM 1787 CG GLU A 113 9.481 -18.716 -3.883 1.00 0.00 C ATOM 1788 CD GLU A 113 9.509 -19.966 -4.740 1.00 0.00 C ATOM 1789 OE1 GLU A 113 10.230 -19.972 -5.759 1.00 0.00 O ATOM 1790 OE2 GLU A 113 8.808 -20.940 -4.391 1.00 0.00 O ATOM 0 H GLU A 113 10.730 -15.771 -4.890 1.00 0.00 H new ATOM 0 HA GLU A 113 10.116 -16.772 -2.197 1.00 0.00 H new ATOM 0 HB2 GLU A 113 11.290 -17.946 -4.728 1.00 0.00 H new ATOM 0 HB3 GLU A 113 11.504 -18.754 -3.188 1.00 0.00 H new ATOM 0 HG2 GLU A 113 9.094 -18.966 -2.895 1.00 0.00 H new ATOM 0 HG3 GLU A 113 8.792 -17.994 -4.322 1.00 0.00 H new ATOM 1797 N GLU A 114 13.090 -15.912 -3.323 1.00 0.00 N ATOM 1798 CA GLU A 114 14.447 -15.567 -2.912 1.00 0.00 C ATOM 1799 C GLU A 114 14.763 -14.112 -3.245 1.00 0.00 C ATOM 1800 O GLU A 114 14.187 -13.536 -4.168 1.00 0.00 O ATOM 1801 CB GLU A 114 15.460 -16.490 -3.594 1.00 0.00 C ATOM 1802 CG GLU A 114 15.433 -17.916 -3.071 1.00 0.00 C ATOM 1803 CD GLU A 114 15.935 -18.921 -4.090 1.00 0.00 C ATOM 1804 OE1 GLU A 114 15.215 -19.174 -5.078 1.00 0.00 O ATOM 1805 OE2 GLU A 114 17.048 -19.453 -3.898 1.00 0.00 O ATOM 0 H GLU A 114 12.892 -15.743 -4.309 1.00 0.00 H new ATOM 0 HA GLU A 114 14.517 -15.698 -1.832 1.00 0.00 H new ATOM 0 HB2 GLU A 114 15.264 -16.502 -4.666 1.00 0.00 H new ATOM 0 HB3 GLU A 114 16.461 -16.081 -3.457 1.00 0.00 H new ATOM 0 HG2 GLU A 114 16.044 -17.981 -2.171 1.00 0.00 H new ATOM 0 HG3 GLU A 114 14.414 -18.174 -2.783 1.00 0.00 H new ATOM 1812 N SER A 115 15.682 -13.524 -2.486 1.00 0.00 N ATOM 1813 CA SER A 115 16.072 -12.135 -2.697 1.00 0.00 C ATOM 1814 C SER A 115 16.198 -11.826 -4.185 1.00 0.00 C ATOM 1815 O SER A 115 15.548 -10.916 -4.699 1.00 0.00 O ATOM 1816 CB SER A 115 17.397 -11.842 -1.989 1.00 0.00 C ATOM 1817 OG SER A 115 17.227 -11.810 -0.583 1.00 0.00 O ATOM 0 H SER A 115 16.170 -13.988 -1.720 1.00 0.00 H new ATOM 0 HA SER A 115 15.295 -11.497 -2.276 1.00 0.00 H new ATOM 0 HB2 SER A 115 18.130 -12.604 -2.253 1.00 0.00 H new ATOM 0 HB3 SER A 115 17.793 -10.886 -2.333 1.00 0.00 H new ATOM 0 HG SER A 115 18.088 -11.623 -0.154 1.00 0.00 H new ATOM 1823 N GLY A 116 17.041 -12.590 -4.873 1.00 0.00 N ATOM 1824 CA GLY A 116 17.239 -12.383 -6.296 1.00 0.00 C ATOM 1825 C GLY A 116 18.700 -12.440 -6.692 1.00 0.00 C ATOM 1826 O GLY A 116 19.590 -12.568 -5.851 1.00 0.00 O ATOM 0 H GLY A 116 17.591 -13.349 -4.470 1.00 0.00 H new ATOM 0 HA2 GLY A 116 16.686 -13.141 -6.851 1.00 0.00 H new ATOM 0 HA3 GLY A 116 16.826 -11.415 -6.580 1.00 0.00 H new ATOM 1830 N PRO A 117 18.966 -12.344 -8.004 1.00 0.00 N ATOM 1831 CA PRO A 117 20.330 -12.384 -8.540 1.00 0.00 C ATOM 1832 C PRO A 117 21.128 -11.133 -8.188 1.00 0.00 C ATOM 1833 O PRO A 117 22.302 -11.216 -7.827 1.00 0.00 O ATOM 1834 CB PRO A 117 20.113 -12.471 -10.053 1.00 0.00 C ATOM 1835 CG PRO A 117 18.774 -11.858 -10.280 1.00 0.00 C ATOM 1836 CD PRO A 117 17.955 -12.189 -9.063 1.00 0.00 C ATOM 0 HA PRO A 117 20.906 -13.213 -8.129 1.00 0.00 H new ATOM 0 HB2 PRO A 117 20.891 -11.934 -10.596 1.00 0.00 H new ATOM 0 HB3 PRO A 117 20.139 -13.505 -10.398 1.00 0.00 H new ATOM 0 HG2 PRO A 117 18.856 -10.779 -10.413 1.00 0.00 H new ATOM 0 HG3 PRO A 117 18.310 -12.256 -11.182 1.00 0.00 H new ATOM 0 HD2 PRO A 117 17.245 -11.396 -8.828 1.00 0.00 H new ATOM 0 HD3 PRO A 117 17.377 -13.102 -9.204 1.00 0.00 H new ATOM 1844 N SER A 118 20.483 -9.976 -8.294 1.00 0.00 N ATOM 1845 CA SER A 118 21.135 -8.707 -7.989 1.00 0.00 C ATOM 1846 C SER A 118 20.384 -7.962 -6.890 1.00 0.00 C ATOM 1847 O SER A 118 19.155 -7.906 -6.890 1.00 0.00 O ATOM 1848 CB SER A 118 21.218 -7.838 -9.245 1.00 0.00 C ATOM 1849 OG SER A 118 22.170 -8.353 -10.160 1.00 0.00 O ATOM 0 H SER A 118 19.510 -9.891 -8.589 1.00 0.00 H new ATOM 0 HA SER A 118 22.144 -8.920 -7.636 1.00 0.00 H new ATOM 0 HB2 SER A 118 20.239 -7.789 -9.723 1.00 0.00 H new ATOM 0 HB3 SER A 118 21.489 -6.819 -8.969 1.00 0.00 H new ATOM 0 HG SER A 118 22.203 -7.781 -10.955 1.00 0.00 H new ATOM 1855 N SER A 119 21.135 -7.390 -5.953 1.00 0.00 N ATOM 1856 CA SER A 119 20.542 -6.650 -4.845 1.00 0.00 C ATOM 1857 C SER A 119 21.601 -5.838 -4.105 1.00 0.00 C ATOM 1858 O SER A 119 22.794 -5.951 -4.386 1.00 0.00 O ATOM 1859 CB SER A 119 19.850 -7.610 -3.876 1.00 0.00 C ATOM 1860 OG SER A 119 20.772 -8.539 -3.332 1.00 0.00 O ATOM 0 H SER A 119 22.154 -7.425 -5.939 1.00 0.00 H new ATOM 0 HA SER A 119 19.802 -5.962 -5.254 1.00 0.00 H new ATOM 0 HB2 SER A 119 19.382 -7.044 -3.071 1.00 0.00 H new ATOM 0 HB3 SER A 119 19.054 -8.144 -4.395 1.00 0.00 H new ATOM 0 HG SER A 119 20.305 -9.140 -2.715 1.00 0.00 H new ATOM 1866 N GLY A 120 21.156 -5.020 -3.157 1.00 0.00 N ATOM 1867 CA GLY A 120 22.077 -4.200 -2.391 1.00 0.00 C ATOM 1868 C GLY A 120 21.444 -3.638 -1.134 1.00 0.00 C ATOM 1869 O GLY A 120 20.221 -3.626 -0.999 1.00 0.00 O ATOM 0 H GLY A 120 20.174 -4.910 -2.905 1.00 0.00 H new ATOM 0 HA2 GLY A 120 22.949 -4.795 -2.120 1.00 0.00 H new ATOM 0 HA3 GLY A 120 22.432 -3.379 -3.014 1.00 0.00 H new TER 1873 GLY A 120