USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 702 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 57 ASN : amide:sc= -2.08! C(o=-1.1!,f=-4.9!) USER MOD Set 1.2: A 59 ASN : amide:sc= 0.966 K(o=-1.1,f=-4.9!) USER MOD Single : A 1 GLY N :NH3+ -131:sc= 0.0195 (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 -70:sc= 1.04 USER MOD Single : A 11 GLN : amide:sc= -0.0056 X(o=-0.0056,f=-0.011) USER MOD Single : A 13 LYS NZ :NH3+ -168:sc= -0.903 (180deg=-1.32) USER MOD Single : A 17 ASN : amide:sc= -4.87! C(o=-4.9!,f=-6.6!) USER MOD Single : A 19 LYS NZ :NH3+ 162:sc=0.000178 (180deg=0) USER MOD Single : A 20 TYR OH : rot 15:sc= -3.19! USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= -0.116 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 170:sc= -0.921 USER MOD Single : A 47 THR OG1 : rot -87:sc= 1.23 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 159:sc= 1.77 USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 78 MET CE :methyl 158:sc= -1.26 (180deg=-1.77) USER MOD Single : A 82 ASN : amide:sc= 0.0502 X(o=0.05,f=0) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 SER OG : rot 34:sc= 0.913 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 65:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.186 0.033 -18.160 1.00 0.00 N ATOM 2 CA GLY A 1 -2.956 0.734 -18.487 1.00 0.00 C ATOM 3 C GLY A 1 -2.812 2.008 -17.653 1.00 0.00 C ATOM 4 O GLY A 1 -3.198 2.036 -16.485 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.978 -0.972 -17.990 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.606 0.449 -17.304 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.856 0.119 -18.951 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.102 0.080 -18.309 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.948 0.987 -19.547 1.00 0.00 H new ATOM 8 N SER A 2 -2.254 3.030 -18.284 1.00 0.00 N ATOM 9 CA SER A 2 -2.054 4.304 -17.614 1.00 0.00 C ATOM 10 C SER A 2 -1.031 4.147 -16.487 1.00 0.00 C ATOM 11 O SER A 2 -1.393 3.831 -15.355 1.00 0.00 O ATOM 12 CB SER A 2 -3.372 4.849 -17.062 1.00 0.00 C ATOM 13 OG SER A 2 -3.408 6.274 -17.077 1.00 0.00 O ATOM 0 H SER A 2 -1.934 3.002 -19.252 1.00 0.00 H new ATOM 0 HA SER A 2 -1.674 5.019 -18.344 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.201 4.459 -17.652 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.512 4.493 -16.041 1.00 0.00 H new ATOM 0 HG SER A 2 -4.266 6.583 -16.719 1.00 0.00 H new ATOM 19 N SER A 3 0.226 4.376 -16.835 1.00 0.00 N ATOM 20 CA SER A 3 1.304 4.264 -15.868 1.00 0.00 C ATOM 21 C SER A 3 2.242 5.467 -15.987 1.00 0.00 C ATOM 22 O SER A 3 2.530 5.928 -17.091 1.00 0.00 O ATOM 23 CB SER A 3 2.084 2.962 -16.060 1.00 0.00 C ATOM 24 OG SER A 3 3.252 2.915 -15.246 1.00 0.00 O ATOM 0 H SER A 3 0.523 4.639 -17.775 1.00 0.00 H new ATOM 0 HA SER A 3 0.867 4.250 -14.870 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.441 2.115 -15.820 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.368 2.860 -17.108 1.00 0.00 H new ATOM 0 HG SER A 3 3.721 2.068 -15.396 1.00 0.00 H new ATOM 30 N GLY A 4 2.692 5.942 -14.835 1.00 0.00 N ATOM 31 CA GLY A 4 3.591 7.083 -14.796 1.00 0.00 C ATOM 32 C GLY A 4 3.428 7.866 -13.491 1.00 0.00 C ATOM 33 O GLY A 4 3.424 7.281 -12.409 1.00 0.00 O ATOM 0 H GLY A 4 2.451 5.558 -13.922 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.622 6.742 -14.893 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.391 7.737 -15.644 1.00 0.00 H new ATOM 37 N SER A 5 3.297 9.176 -13.637 1.00 0.00 N ATOM 38 CA SER A 5 3.133 10.045 -12.484 1.00 0.00 C ATOM 39 C SER A 5 2.032 9.501 -11.571 1.00 0.00 C ATOM 40 O SER A 5 0.908 9.273 -12.016 1.00 0.00 O ATOM 41 CB SER A 5 2.807 11.476 -12.915 1.00 0.00 C ATOM 42 OG SER A 5 3.882 12.075 -13.634 1.00 0.00 O ATOM 0 H SER A 5 3.301 9.657 -14.536 1.00 0.00 H new ATOM 0 HA SER A 5 4.074 10.066 -11.935 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.912 11.472 -13.537 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.580 12.077 -12.034 1.00 0.00 H new ATOM 0 HG SER A 5 3.634 12.987 -13.893 1.00 0.00 H new ATOM 48 N SER A 6 2.394 9.309 -10.311 1.00 0.00 N ATOM 49 CA SER A 6 1.450 8.797 -9.332 1.00 0.00 C ATOM 50 C SER A 6 2.033 8.932 -7.923 1.00 0.00 C ATOM 51 O SER A 6 1.476 9.638 -7.084 1.00 0.00 O ATOM 52 CB SER A 6 1.095 7.337 -9.621 1.00 0.00 C ATOM 53 OG SER A 6 2.243 6.566 -9.964 1.00 0.00 O ATOM 0 H SER A 6 3.327 9.499 -9.946 1.00 0.00 H new ATOM 0 HA SER A 6 0.535 9.386 -9.398 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.614 6.901 -8.746 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.373 7.294 -10.436 1.00 0.00 H new ATOM 0 HG SER A 6 2.568 6.839 -10.847 1.00 0.00 H new ATOM 59 N GLY A 7 3.145 8.246 -7.709 1.00 0.00 N ATOM 60 CA GLY A 7 3.809 8.280 -6.417 1.00 0.00 C ATOM 61 C GLY A 7 2.989 7.538 -5.359 1.00 0.00 C ATOM 62 O GLY A 7 3.429 6.518 -4.830 1.00 0.00 O ATOM 0 H GLY A 7 3.604 7.663 -8.409 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.797 7.827 -6.500 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.957 9.315 -6.108 1.00 0.00 H new ATOM 66 N LEU A 8 1.811 8.079 -5.082 1.00 0.00 N ATOM 67 CA LEU A 8 0.927 7.480 -4.097 1.00 0.00 C ATOM 68 C LEU A 8 0.802 5.981 -4.374 1.00 0.00 C ATOM 69 O LEU A 8 0.822 5.170 -3.449 1.00 0.00 O ATOM 70 CB LEU A 8 -0.415 8.214 -4.065 1.00 0.00 C ATOM 71 CG LEU A 8 -0.383 9.648 -3.531 1.00 0.00 C ATOM 72 CD1 LEU A 8 -1.663 10.399 -3.902 1.00 0.00 C ATOM 73 CD2 LEU A 8 -0.124 9.665 -2.024 1.00 0.00 C ATOM 0 H LEU A 8 1.449 8.925 -5.522 1.00 0.00 H new ATOM 0 HA LEU A 8 1.345 7.585 -3.096 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.820 8.233 -5.077 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.109 7.636 -3.455 1.00 0.00 H new ATOM 0 HG LEU A 8 0.446 10.172 -4.006 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.615 11.415 -3.511 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.764 10.432 -4.987 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.523 9.885 -3.473 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.106 10.696 -1.670 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.917 9.119 -1.512 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.836 9.192 -1.814 1.00 0.00 H new ATOM 85 N ARG A 9 0.673 5.657 -5.653 1.00 0.00 N ATOM 86 CA ARG A 9 0.543 4.270 -6.064 1.00 0.00 C ATOM 87 C ARG A 9 1.714 3.445 -5.525 1.00 0.00 C ATOM 88 O ARG A 9 1.510 2.415 -4.884 1.00 0.00 O ATOM 89 CB ARG A 9 0.504 4.148 -7.589 1.00 0.00 C ATOM 90 CG ARG A 9 -0.432 3.019 -8.024 1.00 0.00 C ATOM 91 CD ARG A 9 -0.195 2.645 -9.489 1.00 0.00 C ATOM 92 NE ARG A 9 -0.903 3.595 -10.376 1.00 0.00 N ATOM 93 CZ ARG A 9 -0.826 3.574 -11.713 1.00 0.00 C ATOM 94 NH1 ARG A 9 -0.072 2.652 -12.327 1.00 0.00 N ATOM 95 NH2 ARG A 9 -1.503 4.476 -12.437 1.00 0.00 N ATOM 0 H ARG A 9 0.656 6.332 -6.418 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.394 3.890 -5.656 1.00 0.00 H new ATOM 0 HB2 ARG A 9 0.171 5.090 -8.024 1.00 0.00 H new ATOM 0 HB3 ARG A 9 1.508 3.959 -7.968 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -0.273 2.146 -7.392 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.468 3.327 -7.887 1.00 0.00 H new ATOM 0 HD2 ARG A 9 0.873 2.658 -9.708 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -0.547 1.630 -9.675 1.00 0.00 H new ATOM 0 HE ARG A 9 -1.486 4.311 -9.942 1.00 0.00 H new ATOM 0 HH11 ARG A 9 0.444 1.966 -11.776 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -0.014 2.636 -13.345 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -2.077 5.178 -11.970 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -1.445 4.460 -13.455 1.00 0.00 H new ATOM 109 N GLU A 10 2.916 3.929 -5.804 1.00 0.00 N ATOM 110 CA GLU A 10 4.119 3.249 -5.355 1.00 0.00 C ATOM 111 C GLU A 10 4.118 3.121 -3.831 1.00 0.00 C ATOM 112 O GLU A 10 4.762 2.230 -3.278 1.00 0.00 O ATOM 113 CB GLU A 10 5.374 3.976 -5.844 1.00 0.00 C ATOM 114 CG GLU A 10 5.911 3.339 -7.126 1.00 0.00 C ATOM 115 CD GLU A 10 7.282 2.704 -6.891 1.00 0.00 C ATOM 116 OE1 GLU A 10 7.334 1.743 -6.094 1.00 0.00 O ATOM 117 OE2 GLU A 10 8.250 3.193 -7.514 1.00 0.00 O ATOM 0 H GLU A 10 3.082 4.784 -6.335 1.00 0.00 H new ATOM 0 HA GLU A 10 4.129 2.247 -5.784 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.144 5.026 -6.024 1.00 0.00 H new ATOM 0 HB3 GLU A 10 6.141 3.946 -5.070 1.00 0.00 H new ATOM 0 HG2 GLU A 10 5.212 2.582 -7.480 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.986 4.095 -7.908 1.00 0.00 H new ATOM 124 N GLN A 11 3.388 4.024 -3.192 1.00 0.00 N ATOM 125 CA GLN A 11 3.295 4.022 -1.742 1.00 0.00 C ATOM 126 C GLN A 11 2.289 2.969 -1.276 1.00 0.00 C ATOM 127 O GLN A 11 2.468 2.357 -0.225 1.00 0.00 O ATOM 128 CB GLN A 11 2.921 5.410 -1.216 1.00 0.00 C ATOM 129 CG GLN A 11 3.926 6.464 -1.684 1.00 0.00 C ATOM 130 CD GLN A 11 4.005 7.625 -0.691 1.00 0.00 C ATOM 131 OE1 GLN A 11 4.449 7.482 0.436 1.00 0.00 O ATOM 132 NE2 GLN A 11 3.550 8.779 -1.171 1.00 0.00 N ATOM 0 H GLN A 11 2.855 4.762 -3.652 1.00 0.00 H new ATOM 0 HA GLN A 11 4.273 3.766 -1.334 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.922 5.676 -1.561 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.888 5.393 -0.127 1.00 0.00 H new ATOM 0 HG2 GLN A 11 4.910 6.009 -1.796 1.00 0.00 H new ATOM 0 HG3 GLN A 11 3.635 6.839 -2.665 1.00 0.00 H new ATOM 0 HE21 GLN A 11 3.192 8.829 -2.125 1.00 0.00 H new ATOM 0 HE22 GLN A 11 3.560 9.614 -0.585 1.00 0.00 H new ATOM 141 N VAL A 12 1.252 2.790 -2.080 1.00 0.00 N ATOM 142 CA VAL A 12 0.217 1.821 -1.763 1.00 0.00 C ATOM 143 C VAL A 12 0.735 0.412 -2.061 1.00 0.00 C ATOM 144 O VAL A 12 0.509 -0.512 -1.282 1.00 0.00 O ATOM 145 CB VAL A 12 -1.068 2.159 -2.525 1.00 0.00 C ATOM 146 CG1 VAL A 12 -2.077 1.012 -2.432 1.00 0.00 C ATOM 147 CG2 VAL A 12 -1.677 3.468 -2.018 1.00 0.00 C ATOM 0 H VAL A 12 1.106 3.300 -2.951 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.030 1.859 -0.702 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.810 2.294 -3.575 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.981 1.277 -2.981 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.643 0.109 -2.862 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.327 0.832 -1.387 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.588 3.685 -2.575 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.914 3.373 -0.958 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.963 4.280 -2.159 1.00 0.00 H new ATOM 157 N LYS A 13 1.418 0.294 -3.189 1.00 0.00 N ATOM 158 CA LYS A 13 1.970 -0.987 -3.599 1.00 0.00 C ATOM 159 C LYS A 13 2.818 -1.559 -2.461 1.00 0.00 C ATOM 160 O LYS A 13 2.605 -2.693 -2.033 1.00 0.00 O ATOM 161 CB LYS A 13 2.728 -0.845 -4.920 1.00 0.00 C ATOM 162 CG LYS A 13 1.762 -0.802 -6.105 1.00 0.00 C ATOM 163 CD LYS A 13 2.078 0.376 -7.028 1.00 0.00 C ATOM 164 CE LYS A 13 3.035 -0.043 -8.145 1.00 0.00 C ATOM 165 NZ LYS A 13 4.000 -1.049 -7.651 1.00 0.00 N ATOM 0 H LYS A 13 1.602 1.064 -3.832 1.00 0.00 H new ATOM 0 HA LYS A 13 1.171 -1.703 -3.792 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.329 0.064 -4.903 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.418 -1.680 -5.039 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.826 -1.735 -6.665 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.738 -0.719 -5.741 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.155 0.761 -7.461 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.521 1.187 -6.450 1.00 0.00 H new ATOM 0 HE2 LYS A 13 2.469 -0.453 -8.982 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.570 0.830 -8.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.761 -1.172 -8.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.406 -0.727 -6.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.512 -1.956 -7.507 1.00 0.00 H new ATOM 179 N GLU A 14 3.761 -0.749 -2.003 1.00 0.00 N ATOM 180 CA GLU A 14 4.642 -1.161 -0.924 1.00 0.00 C ATOM 181 C GLU A 14 3.834 -1.426 0.349 1.00 0.00 C ATOM 182 O GLU A 14 4.194 -2.289 1.149 1.00 0.00 O ATOM 183 CB GLU A 14 5.729 -0.115 -0.673 1.00 0.00 C ATOM 184 CG GLU A 14 7.008 -0.458 -1.441 1.00 0.00 C ATOM 185 CD GLU A 14 8.201 -0.582 -0.492 1.00 0.00 C ATOM 186 OE1 GLU A 14 8.210 -1.562 0.284 1.00 0.00 O ATOM 187 OE2 GLU A 14 9.077 0.307 -0.563 1.00 0.00 O ATOM 0 H GLU A 14 3.934 0.191 -2.360 1.00 0.00 H new ATOM 0 HA GLU A 14 5.136 -2.087 -1.219 1.00 0.00 H new ATOM 0 HB2 GLU A 14 5.370 0.868 -0.978 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.945 -0.059 0.394 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.871 -1.394 -1.983 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.208 0.314 -2.184 1.00 0.00 H new ATOM 194 N LEU A 15 2.756 -0.669 0.496 1.00 0.00 N ATOM 195 CA LEU A 15 1.895 -0.811 1.657 1.00 0.00 C ATOM 196 C LEU A 15 1.334 -2.234 1.699 1.00 0.00 C ATOM 197 O LEU A 15 1.693 -3.021 2.574 1.00 0.00 O ATOM 198 CB LEU A 15 0.818 0.275 1.661 1.00 0.00 C ATOM 199 CG LEU A 15 -0.491 -0.082 2.370 1.00 0.00 C ATOM 200 CD1 LEU A 15 -0.322 -0.036 3.889 1.00 0.00 C ATOM 201 CD2 LEU A 15 -1.635 0.816 1.893 1.00 0.00 C ATOM 0 H LEU A 15 2.460 0.044 -0.170 1.00 0.00 H new ATOM 0 HA LEU A 15 2.465 -0.665 2.575 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.231 1.167 2.131 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.589 0.536 0.628 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.754 -1.106 2.106 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.267 -0.294 4.368 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.445 -0.749 4.192 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.024 0.968 4.192 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.553 0.542 2.412 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.394 1.857 2.108 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.773 0.689 0.819 1.00 0.00 H new ATOM 213 N PHE A 16 0.464 -2.522 0.742 1.00 0.00 N ATOM 214 CA PHE A 16 -0.150 -3.836 0.659 1.00 0.00 C ATOM 215 C PHE A 16 0.908 -4.939 0.707 1.00 0.00 C ATOM 216 O PHE A 16 0.679 -6.001 1.285 1.00 0.00 O ATOM 217 CB PHE A 16 -0.880 -3.905 -0.684 1.00 0.00 C ATOM 218 CG PHE A 16 -2.239 -3.201 -0.690 1.00 0.00 C ATOM 219 CD1 PHE A 16 -3.139 -3.452 0.299 1.00 0.00 C ATOM 220 CD2 PHE A 16 -2.547 -2.326 -1.684 1.00 0.00 C ATOM 221 CE1 PHE A 16 -4.400 -2.800 0.294 1.00 0.00 C ATOM 222 CE2 PHE A 16 -3.808 -1.674 -1.689 1.00 0.00 C ATOM 223 CZ PHE A 16 -4.708 -1.925 -0.700 1.00 0.00 C ATOM 0 H PHE A 16 0.170 -1.867 0.017 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.829 -3.983 1.499 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -0.248 -3.460 -1.453 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -1.023 -4.951 -0.955 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.894 -4.147 1.088 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.833 -2.127 -2.469 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -5.114 -2.999 1.079 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -4.053 -0.979 -2.478 1.00 0.00 H new ATOM 0 HZ PHE A 16 -5.667 -1.429 -0.705 1.00 0.00 H new ATOM 233 N ASN A 17 2.046 -4.651 0.092 1.00 0.00 N ATOM 234 CA ASN A 17 3.141 -5.606 0.057 1.00 0.00 C ATOM 235 C ASN A 17 3.757 -5.720 1.453 1.00 0.00 C ATOM 236 O ASN A 17 4.092 -6.816 1.901 1.00 0.00 O ATOM 237 CB ASN A 17 4.238 -5.152 -0.907 1.00 0.00 C ATOM 238 CG ASN A 17 3.722 -5.116 -2.348 1.00 0.00 C ATOM 239 OD1 ASN A 17 2.533 -5.015 -2.606 1.00 0.00 O ATOM 240 ND2 ASN A 17 4.677 -5.204 -3.267 1.00 0.00 N ATOM 0 H ASN A 17 2.233 -3.770 -0.386 1.00 0.00 H new ATOM 0 HA ASN A 17 2.742 -6.564 -0.276 1.00 0.00 H new ATOM 0 HB2 ASN A 17 4.593 -4.162 -0.619 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.090 -5.829 -0.839 1.00 0.00 H new ATOM 0 HD21 ASN A 17 4.434 -5.189 -4.258 1.00 0.00 H new ATOM 0 HD22 ASN A 17 5.653 -5.286 -2.982 1.00 0.00 H new ATOM 247 N GLU A 18 3.887 -4.573 2.103 1.00 0.00 N ATOM 248 CA GLU A 18 4.457 -4.530 3.439 1.00 0.00 C ATOM 249 C GLU A 18 3.600 -5.346 4.408 1.00 0.00 C ATOM 250 O GLU A 18 4.121 -6.157 5.172 1.00 0.00 O ATOM 251 CB GLU A 18 4.611 -3.087 3.924 1.00 0.00 C ATOM 252 CG GLU A 18 5.766 -2.387 3.206 1.00 0.00 C ATOM 253 CD GLU A 18 7.001 -2.303 4.107 1.00 0.00 C ATOM 254 OE1 GLU A 18 7.562 -3.379 4.403 1.00 0.00 O ATOM 255 OE2 GLU A 18 7.353 -1.163 4.480 1.00 0.00 O ATOM 0 H GLU A 18 3.607 -3.666 1.729 1.00 0.00 H new ATOM 0 HA GLU A 18 5.452 -4.974 3.403 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.685 -2.540 3.749 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.788 -3.078 4.999 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.013 -2.929 2.293 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.460 -1.384 2.908 1.00 0.00 H new ATOM 262 N LYS A 19 2.298 -5.103 4.345 1.00 0.00 N ATOM 263 CA LYS A 19 1.363 -5.805 5.209 1.00 0.00 C ATOM 264 C LYS A 19 1.519 -7.313 5.001 1.00 0.00 C ATOM 265 O LYS A 19 1.699 -8.059 5.962 1.00 0.00 O ATOM 266 CB LYS A 19 -0.061 -5.296 4.979 1.00 0.00 C ATOM 267 CG LYS A 19 -0.196 -3.832 5.403 1.00 0.00 C ATOM 268 CD LYS A 19 -0.237 -3.703 6.927 1.00 0.00 C ATOM 269 CE LYS A 19 0.026 -2.260 7.362 1.00 0.00 C ATOM 270 NZ LYS A 19 0.378 -2.208 8.798 1.00 0.00 N ATOM 0 H LYS A 19 1.869 -4.430 3.709 1.00 0.00 H new ATOM 0 HA LYS A 19 1.584 -5.603 6.257 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.322 -5.399 3.926 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.765 -5.908 5.543 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.642 -3.257 5.008 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.104 -3.408 4.974 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.210 -4.027 7.297 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.508 -4.362 7.372 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.835 -1.836 6.767 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.859 -1.651 7.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.842 -1.301 9.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.486 -2.297 9.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.026 -2.989 9.025 1.00 0.00 H new ATOM 284 N TYR A 20 1.445 -7.716 3.741 1.00 0.00 N ATOM 285 CA TYR A 20 1.576 -9.121 3.397 1.00 0.00 C ATOM 286 C TYR A 20 2.779 -9.750 4.104 1.00 0.00 C ATOM 287 O TYR A 20 2.657 -10.804 4.725 1.00 0.00 O ATOM 288 CB TYR A 20 1.807 -9.165 1.885 1.00 0.00 C ATOM 289 CG TYR A 20 1.288 -10.438 1.213 1.00 0.00 C ATOM 290 CD1 TYR A 20 -0.009 -10.855 1.434 1.00 0.00 C ATOM 291 CD2 TYR A 20 2.116 -11.168 0.386 1.00 0.00 C ATOM 292 CE1 TYR A 20 -0.497 -12.053 0.801 1.00 0.00 C ATOM 293 CE2 TYR A 20 1.628 -12.366 -0.247 1.00 0.00 C ATOM 294 CZ TYR A 20 0.345 -12.749 -0.008 1.00 0.00 C ATOM 295 OH TYR A 20 -0.115 -13.881 -0.606 1.00 0.00 O ATOM 0 H TYR A 20 1.296 -7.094 2.946 1.00 0.00 H new ATOM 0 HA TYR A 20 0.688 -9.675 3.701 1.00 0.00 H new ATOM 0 HB2 TYR A 20 1.322 -8.302 1.428 1.00 0.00 H new ATOM 0 HB3 TYR A 20 2.875 -9.072 1.688 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -0.658 -10.283 2.081 1.00 0.00 H new ATOM 0 HD2 TYR A 20 3.131 -10.841 0.213 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -1.510 -12.391 0.965 1.00 0.00 H new ATOM 0 HE2 TYR A 20 2.266 -12.947 -0.896 1.00 0.00 H new ATOM 0 HH TYR A 20 -1.093 -13.909 -0.545 1.00 0.00 H new ATOM 305 N GLY A 21 3.913 -9.075 3.985 1.00 0.00 N ATOM 306 CA GLY A 21 5.136 -9.555 4.604 1.00 0.00 C ATOM 307 C GLY A 21 4.933 -9.803 6.100 1.00 0.00 C ATOM 308 O GLY A 21 5.141 -10.915 6.582 1.00 0.00 O ATOM 0 H GLY A 21 4.010 -8.200 3.469 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.455 -10.477 4.119 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.932 -8.825 4.458 1.00 0.00 H new ATOM 312 N GLU A 22 4.529 -8.749 6.793 1.00 0.00 N ATOM 313 CA GLU A 22 4.294 -8.840 8.224 1.00 0.00 C ATOM 314 C GLU A 22 3.276 -9.940 8.527 1.00 0.00 C ATOM 315 O GLU A 22 3.427 -10.682 9.498 1.00 0.00 O ATOM 316 CB GLU A 22 3.832 -7.495 8.791 1.00 0.00 C ATOM 317 CG GLU A 22 4.739 -6.358 8.313 1.00 0.00 C ATOM 318 CD GLU A 22 4.871 -5.276 9.386 1.00 0.00 C ATOM 319 OE1 GLU A 22 3.853 -5.023 10.066 1.00 0.00 O ATOM 320 OE2 GLU A 22 5.988 -4.725 9.502 1.00 0.00 O ATOM 0 H GLU A 22 4.358 -7.828 6.390 1.00 0.00 H new ATOM 0 HA GLU A 22 5.235 -9.099 8.710 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.805 -7.300 8.483 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.836 -7.535 9.880 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.724 -6.753 8.066 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.332 -5.923 7.400 1.00 0.00 H new ATOM 327 N ALA A 23 2.261 -10.014 7.679 1.00 0.00 N ATOM 328 CA ALA A 23 1.218 -11.013 7.844 1.00 0.00 C ATOM 329 C ALA A 23 1.820 -12.407 7.661 1.00 0.00 C ATOM 330 O ALA A 23 1.444 -13.346 8.361 1.00 0.00 O ATOM 331 CB ALA A 23 0.083 -10.733 6.856 1.00 0.00 C ATOM 0 H ALA A 23 2.138 -9.398 6.875 1.00 0.00 H new ATOM 0 HA ALA A 23 0.796 -10.966 8.848 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.700 -11.482 6.979 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.329 -9.742 7.047 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.469 -10.775 5.837 1.00 0.00 H new ATOM 337 N LEU A 24 2.745 -12.498 6.716 1.00 0.00 N ATOM 338 CA LEU A 24 3.401 -13.763 6.431 1.00 0.00 C ATOM 339 C LEU A 24 4.331 -14.120 7.592 1.00 0.00 C ATOM 340 O LEU A 24 4.859 -15.231 7.650 1.00 0.00 O ATOM 341 CB LEU A 24 4.105 -13.708 5.074 1.00 0.00 C ATOM 342 CG LEU A 24 3.197 -13.762 3.845 1.00 0.00 C ATOM 343 CD1 LEU A 24 3.740 -12.877 2.721 1.00 0.00 C ATOM 344 CD2 LEU A 24 2.982 -15.205 3.384 1.00 0.00 C ATOM 0 H LEU A 24 3.055 -11.717 6.138 1.00 0.00 H new ATOM 0 HA LEU A 24 2.667 -14.564 6.350 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.691 -12.790 5.028 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.809 -14.539 5.018 1.00 0.00 H new ATOM 0 HG LEU A 24 2.222 -13.364 4.125 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.075 -12.934 1.859 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.798 -11.845 3.066 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.734 -13.221 2.435 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.333 -15.214 2.509 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.943 -15.652 3.128 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.517 -15.778 4.186 1.00 0.00 H new ATOM 356 N GLY A 25 4.505 -13.160 8.488 1.00 0.00 N ATOM 357 CA GLY A 25 5.363 -13.360 9.644 1.00 0.00 C ATOM 358 C GLY A 25 6.831 -13.129 9.283 1.00 0.00 C ATOM 359 O GLY A 25 7.725 -13.469 10.058 1.00 0.00 O ATOM 0 H GLY A 25 4.066 -12.241 8.437 1.00 0.00 H new ATOM 0 HA2 GLY A 25 5.069 -12.678 10.442 1.00 0.00 H new ATOM 0 HA3 GLY A 25 5.234 -14.372 10.027 1.00 0.00 H new ATOM 363 N LEU A 26 7.036 -12.555 8.108 1.00 0.00 N ATOM 364 CA LEU A 26 8.380 -12.275 7.635 1.00 0.00 C ATOM 365 C LEU A 26 8.794 -10.873 8.088 1.00 0.00 C ATOM 366 O LEU A 26 8.071 -10.220 8.838 1.00 0.00 O ATOM 367 CB LEU A 26 8.472 -12.485 6.122 1.00 0.00 C ATOM 368 CG LEU A 26 7.736 -13.708 5.569 1.00 0.00 C ATOM 369 CD1 LEU A 26 8.031 -13.897 4.079 1.00 0.00 C ATOM 370 CD2 LEU A 26 8.068 -14.961 6.382 1.00 0.00 C ATOM 0 H LEU A 26 6.292 -12.276 7.468 1.00 0.00 H new ATOM 0 HA LEU A 26 9.091 -12.975 8.074 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.081 -11.596 5.627 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.524 -12.565 5.849 1.00 0.00 H new ATOM 0 HG LEU A 26 6.664 -13.535 5.666 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.496 -14.772 3.710 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.705 -13.014 3.529 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.102 -14.039 3.935 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.532 -15.816 5.968 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.141 -15.149 6.338 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.768 -14.812 7.419 1.00 0.00 H new ATOM 382 N ASN A 27 9.957 -10.451 7.612 1.00 0.00 N ATOM 383 CA ASN A 27 10.476 -9.139 7.958 1.00 0.00 C ATOM 384 C ASN A 27 10.750 -8.349 6.676 1.00 0.00 C ATOM 385 O ASN A 27 11.532 -7.400 6.683 1.00 0.00 O ATOM 386 CB ASN A 27 11.789 -9.253 8.733 1.00 0.00 C ATOM 387 CG ASN A 27 11.668 -8.607 10.115 1.00 0.00 C ATOM 388 OD1 ASN A 27 11.382 -9.255 11.108 1.00 0.00 O ATOM 389 ND2 ASN A 27 11.901 -7.298 10.122 1.00 0.00 N ATOM 0 H ASN A 27 10.554 -10.995 6.989 1.00 0.00 H new ATOM 0 HA ASN A 27 9.734 -8.636 8.578 1.00 0.00 H new ATOM 0 HB2 ASN A 27 12.062 -10.303 8.841 1.00 0.00 H new ATOM 0 HB3 ASN A 27 12.590 -8.772 8.172 1.00 0.00 H new ATOM 0 HD21 ASN A 27 11.845 -6.775 10.996 1.00 0.00 H new ATOM 0 HD22 ASN A 27 12.136 -6.817 9.254 1.00 0.00 H new ATOM 396 N ARG A 28 10.091 -8.771 5.607 1.00 0.00 N ATOM 397 CA ARG A 28 10.254 -8.115 4.321 1.00 0.00 C ATOM 398 C ARG A 28 8.907 -8.013 3.602 1.00 0.00 C ATOM 399 O ARG A 28 8.026 -8.846 3.807 1.00 0.00 O ATOM 400 CB ARG A 28 11.239 -8.879 3.434 1.00 0.00 C ATOM 401 CG ARG A 28 11.009 -10.388 3.532 1.00 0.00 C ATOM 402 CD ARG A 28 11.619 -11.115 2.331 1.00 0.00 C ATOM 403 NE ARG A 28 11.233 -12.544 2.355 1.00 0.00 N ATOM 404 CZ ARG A 28 11.907 -13.514 1.722 1.00 0.00 C ATOM 405 NH1 ARG A 28 13.002 -13.215 1.011 1.00 0.00 N ATOM 406 NH2 ARG A 28 11.484 -14.783 1.799 1.00 0.00 N ATOM 0 H ARG A 28 9.443 -9.559 5.605 1.00 0.00 H new ATOM 0 HA ARG A 28 10.648 -7.116 4.507 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.127 -8.557 2.399 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.261 -8.643 3.732 1.00 0.00 H new ATOM 0 HG2 ARG A 28 11.450 -10.768 4.454 1.00 0.00 H new ATOM 0 HG3 ARG A 28 9.940 -10.594 3.582 1.00 0.00 H new ATOM 0 HD2 ARG A 28 11.278 -10.653 1.404 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.705 -11.023 2.353 1.00 0.00 H new ATOM 0 HE ARG A 28 10.403 -12.806 2.886 1.00 0.00 H new ATOM 0 HH11 ARG A 28 13.323 -12.249 0.951 1.00 0.00 H new ATOM 0 HH12 ARG A 28 13.515 -13.954 0.529 1.00 0.00 H new ATOM 0 HH21 ARG A 28 10.649 -15.010 2.339 1.00 0.00 H new ATOM 0 HH22 ARG A 28 11.997 -15.522 1.317 1.00 0.00 H new ATOM 420 N PRO A 29 8.787 -6.957 2.754 1.00 0.00 N ATOM 421 CA PRO A 29 7.562 -6.734 2.005 1.00 0.00 C ATOM 422 C PRO A 29 7.442 -7.724 0.844 1.00 0.00 C ATOM 423 O PRO A 29 8.385 -7.904 0.077 1.00 0.00 O ATOM 424 CB PRO A 29 7.639 -5.288 1.545 1.00 0.00 C ATOM 425 CG PRO A 29 9.103 -4.893 1.654 1.00 0.00 C ATOM 426 CD PRO A 29 9.810 -5.950 2.487 1.00 0.00 C ATOM 0 HA PRO A 29 6.667 -6.900 2.604 1.00 0.00 H new ATOM 0 HB2 PRO A 29 7.282 -5.185 0.520 1.00 0.00 H new ATOM 0 HB3 PRO A 29 7.014 -4.647 2.167 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.554 -4.822 0.664 1.00 0.00 H new ATOM 0 HG3 PRO A 29 9.200 -3.912 2.119 1.00 0.00 H new ATOM 0 HD2 PRO A 29 10.656 -6.378 1.949 1.00 0.00 H new ATOM 0 HD3 PRO A 29 10.202 -5.528 3.413 1.00 0.00 H new ATOM 434 N VAL A 30 6.273 -8.342 0.754 1.00 0.00 N ATOM 435 CA VAL A 30 6.017 -9.309 -0.300 1.00 0.00 C ATOM 436 C VAL A 30 4.758 -8.900 -1.067 1.00 0.00 C ATOM 437 O VAL A 30 3.789 -8.432 -0.471 1.00 0.00 O ATOM 438 CB VAL A 30 5.926 -10.717 0.293 1.00 0.00 C ATOM 439 CG1 VAL A 30 5.492 -11.730 -0.767 1.00 0.00 C ATOM 440 CG2 VAL A 30 7.252 -11.129 0.936 1.00 0.00 C ATOM 0 H VAL A 30 5.493 -8.192 1.394 1.00 0.00 H new ATOM 0 HA VAL A 30 6.841 -9.324 -1.013 1.00 0.00 H new ATOM 0 HB VAL A 30 5.166 -10.703 1.074 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.435 -12.723 -0.320 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.513 -11.451 -1.158 1.00 0.00 H new ATOM 0 HG13 VAL A 30 6.218 -11.739 -1.580 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.159 -12.133 1.349 1.00 0.00 H new ATOM 0 HG22 VAL A 30 8.040 -11.118 0.183 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.502 -10.430 1.734 1.00 0.00 H new ATOM 450 N LEU A 31 4.813 -9.092 -2.377 1.00 0.00 N ATOM 451 CA LEU A 31 3.690 -8.749 -3.231 1.00 0.00 C ATOM 452 C LEU A 31 2.449 -9.516 -2.768 1.00 0.00 C ATOM 453 O LEU A 31 2.561 -10.511 -2.053 1.00 0.00 O ATOM 454 CB LEU A 31 4.043 -8.983 -4.702 1.00 0.00 C ATOM 455 CG LEU A 31 4.741 -7.824 -5.416 1.00 0.00 C ATOM 456 CD1 LEU A 31 5.567 -8.327 -6.601 1.00 0.00 C ATOM 457 CD2 LEU A 31 3.734 -6.751 -5.834 1.00 0.00 C ATOM 0 H LEU A 31 5.618 -9.481 -2.867 1.00 0.00 H new ATOM 0 HA LEU A 31 3.459 -7.687 -3.147 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.684 -9.862 -4.766 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.126 -9.217 -5.242 1.00 0.00 H new ATOM 0 HG LEU A 31 5.434 -7.359 -4.715 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.052 -7.483 -7.091 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.325 -9.025 -6.246 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.913 -8.832 -7.312 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.257 -5.939 -6.339 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.999 -7.186 -6.511 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.228 -6.363 -4.950 1.00 0.00 H new ATOM 469 N VAL A 32 1.294 -9.024 -3.194 1.00 0.00 N ATOM 470 CA VAL A 32 0.035 -9.652 -2.832 1.00 0.00 C ATOM 471 C VAL A 32 -0.567 -10.327 -4.065 1.00 0.00 C ATOM 472 O VAL A 32 -0.838 -9.669 -5.068 1.00 0.00 O ATOM 473 CB VAL A 32 -0.900 -8.619 -2.200 1.00 0.00 C ATOM 474 CG1 VAL A 32 -2.294 -9.208 -1.972 1.00 0.00 C ATOM 475 CG2 VAL A 32 -0.315 -8.075 -0.894 1.00 0.00 C ATOM 0 H VAL A 32 1.204 -8.198 -3.786 1.00 0.00 H new ATOM 0 HA VAL A 32 0.196 -10.428 -2.084 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.997 -7.786 -2.896 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.939 -8.453 -1.522 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.716 -9.524 -2.926 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.221 -10.067 -1.305 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.000 -7.343 -0.466 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.173 -8.895 -0.190 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.645 -7.600 -1.095 1.00 0.00 H new ATOM 485 N PRO A 33 -0.763 -11.668 -3.948 1.00 0.00 N ATOM 486 CA PRO A 33 -1.328 -12.439 -5.042 1.00 0.00 C ATOM 487 C PRO A 33 -2.833 -12.195 -5.166 1.00 0.00 C ATOM 488 O PRO A 33 -3.631 -13.118 -5.007 1.00 0.00 O ATOM 489 CB PRO A 33 -0.986 -13.885 -4.720 1.00 0.00 C ATOM 490 CG PRO A 33 -0.652 -13.915 -3.238 1.00 0.00 C ATOM 491 CD PRO A 33 -0.454 -12.480 -2.776 1.00 0.00 C ATOM 0 HA PRO A 33 -0.922 -12.153 -6.012 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -1.825 -14.544 -4.945 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -0.142 -14.229 -5.318 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.456 -14.390 -2.675 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.250 -14.501 -3.062 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -1.113 -12.238 -1.942 1.00 0.00 H new ATOM 0 HD3 PRO A 33 0.567 -12.311 -2.435 1.00 0.00 H new ATOM 499 N TYR A 34 -3.176 -10.946 -5.447 1.00 0.00 N ATOM 500 CA TYR A 34 -4.572 -10.568 -5.593 1.00 0.00 C ATOM 501 C TYR A 34 -5.333 -11.597 -6.434 1.00 0.00 C ATOM 502 O TYR A 34 -6.408 -12.049 -6.042 1.00 0.00 O ATOM 503 CB TYR A 34 -4.571 -9.227 -6.329 1.00 0.00 C ATOM 504 CG TYR A 34 -3.707 -8.154 -5.664 1.00 0.00 C ATOM 505 CD1 TYR A 34 -4.160 -7.507 -4.533 1.00 0.00 C ATOM 506 CD2 TYR A 34 -2.475 -7.832 -6.196 1.00 0.00 C ATOM 507 CE1 TYR A 34 -3.348 -6.496 -3.907 1.00 0.00 C ATOM 508 CE2 TYR A 34 -1.663 -6.820 -5.569 1.00 0.00 C ATOM 509 CZ TYR A 34 -2.139 -6.203 -4.455 1.00 0.00 C ATOM 510 OH TYR A 34 -1.372 -5.248 -3.865 1.00 0.00 O ATOM 0 H TYR A 34 -2.512 -10.183 -5.577 1.00 0.00 H new ATOM 0 HA TYR A 34 -5.058 -10.510 -4.619 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -4.218 -9.384 -7.348 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -5.596 -8.862 -6.400 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -5.124 -7.759 -4.117 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -2.120 -8.338 -7.081 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -3.692 -5.982 -3.022 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -0.697 -6.557 -5.975 1.00 0.00 H new ATOM 0 HH TYR A 34 -0.535 -5.146 -4.365 1.00 0.00 H new ATOM 520 N LYS A 35 -4.745 -11.936 -7.572 1.00 0.00 N ATOM 521 CA LYS A 35 -5.355 -12.902 -8.470 1.00 0.00 C ATOM 522 C LYS A 35 -5.865 -14.095 -7.659 1.00 0.00 C ATOM 523 O LYS A 35 -6.991 -14.547 -7.856 1.00 0.00 O ATOM 524 CB LYS A 35 -4.379 -13.287 -9.583 1.00 0.00 C ATOM 525 CG LYS A 35 -4.625 -12.453 -10.842 1.00 0.00 C ATOM 526 CD LYS A 35 -4.355 -13.272 -12.105 1.00 0.00 C ATOM 527 CE LYS A 35 -4.790 -12.509 -13.358 1.00 0.00 C ATOM 528 NZ LYS A 35 -4.547 -13.322 -14.571 1.00 0.00 N ATOM 0 H LYS A 35 -3.853 -11.559 -7.893 1.00 0.00 H new ATOM 0 HA LYS A 35 -6.219 -12.465 -8.971 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.355 -13.140 -9.240 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -4.488 -14.346 -9.817 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -5.655 -12.095 -10.850 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.982 -11.573 -10.831 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.293 -13.508 -12.169 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.889 -14.220 -12.049 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.848 -12.257 -13.288 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.242 -11.569 -13.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -4.848 -12.789 -15.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -3.533 -13.541 -14.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.089 -14.207 -14.510 1.00 0.00 H new ATOM 542 N LEU A 36 -5.011 -14.569 -6.764 1.00 0.00 N ATOM 543 CA LEU A 36 -5.362 -15.700 -5.922 1.00 0.00 C ATOM 544 C LEU A 36 -6.469 -15.285 -4.951 1.00 0.00 C ATOM 545 O LEU A 36 -7.595 -15.767 -5.045 1.00 0.00 O ATOM 546 CB LEU A 36 -4.117 -16.261 -5.232 1.00 0.00 C ATOM 547 CG LEU A 36 -3.115 -16.980 -6.137 1.00 0.00 C ATOM 548 CD1 LEU A 36 -1.820 -17.290 -5.383 1.00 0.00 C ATOM 549 CD2 LEU A 36 -3.735 -18.236 -6.752 1.00 0.00 C ATOM 0 H LEU A 36 -4.077 -14.191 -6.604 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.758 -16.516 -6.527 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.602 -15.440 -4.733 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.438 -16.955 -4.455 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.857 -16.313 -6.959 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.125 -17.801 -6.049 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.371 -16.360 -5.034 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.041 -17.930 -4.529 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.002 -18.728 -7.391 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.040 -18.917 -5.958 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.606 -17.958 -7.346 1.00 0.00 H new ATOM 561 N ILE A 37 -6.107 -14.393 -4.039 1.00 0.00 N ATOM 562 CA ILE A 37 -7.056 -13.907 -3.051 1.00 0.00 C ATOM 563 C ILE A 37 -8.405 -13.653 -3.727 1.00 0.00 C ATOM 564 O ILE A 37 -9.454 -13.812 -3.105 1.00 0.00 O ATOM 565 CB ILE A 37 -6.493 -12.684 -2.324 1.00 0.00 C ATOM 566 CG1 ILE A 37 -5.233 -13.047 -1.535 1.00 0.00 C ATOM 567 CG2 ILE A 37 -7.558 -12.035 -1.439 1.00 0.00 C ATOM 568 CD1 ILE A 37 -4.141 -11.994 -1.732 1.00 0.00 C ATOM 0 H ILE A 37 -5.171 -13.995 -3.964 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.222 -14.660 -2.280 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.202 -11.945 -3.071 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -5.475 -13.132 -0.476 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.866 -14.022 -1.857 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -7.132 -11.168 -0.934 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -8.400 -11.719 -2.055 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -7.902 -12.755 -0.697 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.257 -12.276 -1.161 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.885 -11.929 -2.789 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -4.503 -11.026 -1.386 1.00 0.00 H new ATOM 580 N ARG A 38 -8.334 -13.265 -4.992 1.00 0.00 N ATOM 581 CA ARG A 38 -9.536 -12.989 -5.759 1.00 0.00 C ATOM 582 C ARG A 38 -10.387 -14.254 -5.886 1.00 0.00 C ATOM 583 O ARG A 38 -11.549 -14.267 -5.483 1.00 0.00 O ATOM 584 CB ARG A 38 -9.191 -12.472 -7.158 1.00 0.00 C ATOM 585 CG ARG A 38 -10.413 -11.842 -7.827 1.00 0.00 C ATOM 586 CD ARG A 38 -10.365 -10.316 -7.730 1.00 0.00 C ATOM 587 NE ARG A 38 -10.253 -9.727 -9.084 1.00 0.00 N ATOM 588 CZ ARG A 38 -11.155 -9.907 -10.058 1.00 0.00 C ATOM 589 NH1 ARG A 38 -12.241 -10.660 -9.836 1.00 0.00 N ATOM 590 NH2 ARG A 38 -10.972 -9.333 -11.255 1.00 0.00 N ATOM 0 H ARG A 38 -7.462 -13.135 -5.505 1.00 0.00 H new ATOM 0 HA ARG A 38 -10.098 -12.220 -5.229 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -8.390 -11.736 -7.090 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.819 -13.293 -7.771 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.454 -12.142 -8.874 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.322 -12.212 -7.353 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -11.264 -9.946 -7.236 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -9.516 -10.008 -7.119 1.00 0.00 H new ATOM 0 HE ARG A 38 -9.438 -9.148 -9.288 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -12.381 -11.097 -8.925 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -12.927 -10.797 -10.578 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -10.146 -8.759 -11.424 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -11.659 -9.470 -11.997 1.00 0.00 H new ATOM 604 N ASP A 39 -9.776 -15.286 -6.447 1.00 0.00 N ATOM 605 CA ASP A 39 -10.464 -16.553 -6.632 1.00 0.00 C ATOM 606 C ASP A 39 -10.628 -17.241 -5.276 1.00 0.00 C ATOM 607 O ASP A 39 -11.569 -18.008 -5.076 1.00 0.00 O ATOM 608 CB ASP A 39 -9.663 -17.486 -7.543 1.00 0.00 C ATOM 609 CG ASP A 39 -10.252 -17.689 -8.940 1.00 0.00 C ATOM 610 OD1 ASP A 39 -11.477 -17.924 -9.011 1.00 0.00 O ATOM 611 OD2 ASP A 39 -9.463 -17.604 -9.906 1.00 0.00 O ATOM 0 H ASP A 39 -8.812 -15.272 -6.780 1.00 0.00 H new ATOM 0 HA ASP A 39 -11.433 -16.348 -7.088 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.653 -17.090 -7.645 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -9.577 -18.458 -7.057 1.00 0.00 H new ATOM 616 N SER A 40 -9.700 -16.943 -4.380 1.00 0.00 N ATOM 617 CA SER A 40 -9.730 -17.523 -3.048 1.00 0.00 C ATOM 618 C SER A 40 -9.919 -16.423 -2.002 1.00 0.00 C ATOM 619 O SER A 40 -8.953 -15.783 -1.587 1.00 0.00 O ATOM 620 CB SER A 40 -8.451 -18.313 -2.763 1.00 0.00 C ATOM 621 OG SER A 40 -8.439 -18.851 -1.443 1.00 0.00 O ATOM 0 H SER A 40 -8.921 -16.307 -4.550 1.00 0.00 H new ATOM 0 HA SER A 40 -10.571 -18.214 -2.995 1.00 0.00 H new ATOM 0 HB2 SER A 40 -8.357 -19.123 -3.486 1.00 0.00 H new ATOM 0 HB3 SER A 40 -7.586 -17.664 -2.898 1.00 0.00 H new ATOM 0 HG SER A 40 -7.691 -19.477 -1.352 1.00 0.00 H new ATOM 627 N PRO A 41 -11.202 -16.232 -1.594 1.00 0.00 N ATOM 628 CA PRO A 41 -11.530 -15.220 -0.604 1.00 0.00 C ATOM 629 C PRO A 41 -11.115 -15.671 0.798 1.00 0.00 C ATOM 630 O PRO A 41 -10.991 -14.851 1.707 1.00 0.00 O ATOM 631 CB PRO A 41 -13.029 -15.008 -0.740 1.00 0.00 C ATOM 632 CG PRO A 41 -13.558 -16.232 -1.470 1.00 0.00 C ATOM 633 CD PRO A 41 -12.371 -16.971 -2.063 1.00 0.00 C ATOM 0 HA PRO A 41 -10.993 -14.285 -0.764 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -13.499 -14.903 0.238 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -13.246 -14.097 -1.297 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -14.106 -16.878 -0.784 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -14.255 -15.937 -2.255 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -12.344 -18.008 -1.730 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -12.418 -16.987 -3.152 1.00 0.00 H new ATOM 641 N ASP A 42 -10.910 -16.974 0.930 1.00 0.00 N ATOM 642 CA ASP A 42 -10.512 -17.543 2.207 1.00 0.00 C ATOM 643 C ASP A 42 -9.024 -17.895 2.160 1.00 0.00 C ATOM 644 O ASP A 42 -8.642 -19.028 2.450 1.00 0.00 O ATOM 645 CB ASP A 42 -11.292 -18.825 2.506 1.00 0.00 C ATOM 646 CG ASP A 42 -11.198 -19.316 3.952 1.00 0.00 C ATOM 647 OD1 ASP A 42 -11.966 -18.785 4.783 1.00 0.00 O ATOM 648 OD2 ASP A 42 -10.360 -20.211 4.193 1.00 0.00 O ATOM 0 H ASP A 42 -11.012 -17.651 0.174 1.00 0.00 H new ATOM 0 HA ASP A 42 -10.718 -16.807 2.984 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -12.341 -18.659 2.262 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -10.932 -19.614 1.846 1.00 0.00 H new ATOM 653 N ALA A 43 -8.225 -16.904 1.792 1.00 0.00 N ATOM 654 CA ALA A 43 -6.787 -17.096 1.704 1.00 0.00 C ATOM 655 C ALA A 43 -6.086 -16.101 2.633 1.00 0.00 C ATOM 656 O ALA A 43 -5.281 -16.494 3.474 1.00 0.00 O ATOM 657 CB ALA A 43 -6.340 -16.948 0.249 1.00 0.00 C ATOM 0 H ALA A 43 -8.546 -15.966 1.551 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.514 -18.100 2.029 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.262 -17.092 0.183 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.844 -17.695 -0.364 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.596 -15.951 -0.111 1.00 0.00 H new ATOM 663 N VAL A 44 -6.420 -14.832 2.447 1.00 0.00 N ATOM 664 CA VAL A 44 -5.833 -13.778 3.257 1.00 0.00 C ATOM 665 C VAL A 44 -6.916 -12.765 3.631 1.00 0.00 C ATOM 666 O VAL A 44 -7.768 -12.430 2.809 1.00 0.00 O ATOM 667 CB VAL A 44 -4.652 -13.145 2.517 1.00 0.00 C ATOM 668 CG1 VAL A 44 -4.253 -11.815 3.158 1.00 0.00 C ATOM 669 CG2 VAL A 44 -3.463 -14.107 2.460 1.00 0.00 C ATOM 0 H VAL A 44 -7.089 -14.510 1.748 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.436 -14.187 4.186 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.967 -12.941 1.494 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.412 -11.386 2.613 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.097 -11.126 3.123 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.965 -11.983 4.196 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.637 -13.634 1.929 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.148 -14.356 3.473 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.756 -15.017 1.937 1.00 0.00 H new ATOM 679 N GLU A 45 -6.850 -12.306 4.872 1.00 0.00 N ATOM 680 CA GLU A 45 -7.814 -11.337 5.365 1.00 0.00 C ATOM 681 C GLU A 45 -7.216 -9.929 5.337 1.00 0.00 C ATOM 682 O GLU A 45 -6.081 -9.726 5.767 1.00 0.00 O ATOM 683 CB GLU A 45 -8.290 -11.704 6.772 1.00 0.00 C ATOM 684 CG GLU A 45 -8.964 -10.510 7.452 1.00 0.00 C ATOM 685 CD GLU A 45 -8.140 -10.021 8.644 1.00 0.00 C ATOM 686 OE1 GLU A 45 -8.284 -10.635 9.724 1.00 0.00 O ATOM 687 OE2 GLU A 45 -7.384 -9.045 8.450 1.00 0.00 O ATOM 0 H GLU A 45 -6.143 -12.587 5.551 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.683 -11.353 4.708 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.989 -12.538 6.717 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.443 -12.037 7.371 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -9.087 -9.700 6.734 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.962 -10.793 7.787 1.00 0.00 H new ATOM 694 N VAL A 46 -8.004 -8.995 4.827 1.00 0.00 N ATOM 695 CA VAL A 46 -7.566 -7.612 4.739 1.00 0.00 C ATOM 696 C VAL A 46 -8.511 -6.729 5.554 1.00 0.00 C ATOM 697 O VAL A 46 -9.725 -6.765 5.358 1.00 0.00 O ATOM 698 CB VAL A 46 -7.466 -7.188 3.272 1.00 0.00 C ATOM 699 CG1 VAL A 46 -7.247 -5.679 3.151 1.00 0.00 C ATOM 700 CG2 VAL A 46 -6.362 -7.963 2.550 1.00 0.00 C ATOM 0 H VAL A 46 -8.944 -9.168 4.470 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.569 -7.499 5.165 1.00 0.00 H new ATOM 0 HB VAL A 46 -8.413 -7.428 2.789 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.179 -5.404 2.098 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -8.083 -5.152 3.611 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.322 -5.404 3.658 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.313 -7.642 1.510 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.405 -7.770 3.035 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.580 -9.030 2.590 1.00 0.00 H new ATOM 710 N THR A 47 -7.919 -5.954 6.451 1.00 0.00 N ATOM 711 CA THR A 47 -8.694 -5.062 7.298 1.00 0.00 C ATOM 712 C THR A 47 -7.937 -3.752 7.525 1.00 0.00 C ATOM 713 O THR A 47 -6.774 -3.629 7.145 1.00 0.00 O ATOM 714 CB THR A 47 -9.021 -5.806 8.594 1.00 0.00 C ATOM 715 OG1 THR A 47 -7.838 -6.547 8.878 1.00 0.00 O ATOM 716 CG2 THR A 47 -10.094 -6.881 8.398 1.00 0.00 C ATOM 0 H THR A 47 -6.912 -5.925 6.610 1.00 0.00 H new ATOM 0 HA THR A 47 -9.633 -4.781 6.822 1.00 0.00 H new ATOM 0 HB THR A 47 -9.354 -5.092 9.347 1.00 0.00 H new ATOM 0 HG1 THR A 47 -7.871 -7.408 8.411 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.288 -7.379 9.348 1.00 0.00 H new ATOM 0 HG22 THR A 47 -11.012 -6.417 8.037 1.00 0.00 H new ATOM 0 HG23 THR A 47 -9.746 -7.613 7.669 1.00 0.00 H new ATOM 724 N GLY A 48 -8.630 -2.805 8.142 1.00 0.00 N ATOM 725 CA GLY A 48 -8.038 -1.509 8.424 1.00 0.00 C ATOM 726 C GLY A 48 -8.267 -0.538 7.264 1.00 0.00 C ATOM 727 O GLY A 48 -8.270 0.676 7.457 1.00 0.00 O ATOM 0 H GLY A 48 -9.595 -2.910 8.454 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -8.470 -1.099 9.337 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -6.969 -1.624 8.601 1.00 0.00 H new ATOM 731 N LEU A 49 -8.454 -1.110 6.083 1.00 0.00 N ATOM 732 CA LEU A 49 -8.683 -0.311 4.892 1.00 0.00 C ATOM 733 C LEU A 49 -9.689 0.796 5.213 1.00 0.00 C ATOM 734 O LEU A 49 -10.381 0.738 6.228 1.00 0.00 O ATOM 735 CB LEU A 49 -9.103 -1.202 3.721 1.00 0.00 C ATOM 736 CG LEU A 49 -7.965 -1.774 2.873 1.00 0.00 C ATOM 737 CD1 LEU A 49 -8.492 -2.805 1.873 1.00 0.00 C ATOM 738 CD2 LEU A 49 -7.180 -0.656 2.183 1.00 0.00 C ATOM 0 H LEU A 49 -8.451 -2.118 5.926 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.760 0.176 4.577 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.690 -2.032 4.114 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.761 -0.627 3.070 1.00 0.00 H new ATOM 0 HG LEU A 49 -7.272 -2.292 3.536 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -7.663 -3.196 1.283 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -8.971 -3.622 2.412 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -9.217 -2.332 1.211 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.377 -1.090 1.587 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.848 -0.089 1.535 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.755 0.008 2.936 1.00 0.00 H new ATOM 750 N PRO A 50 -9.741 1.807 4.302 1.00 0.00 N ATOM 751 CA PRO A 50 -10.651 2.926 4.479 1.00 0.00 C ATOM 752 C PRO A 50 -12.090 2.518 4.159 1.00 0.00 C ATOM 753 O PRO A 50 -12.320 1.646 3.323 1.00 0.00 O ATOM 754 CB PRO A 50 -10.122 4.011 3.556 1.00 0.00 C ATOM 755 CG PRO A 50 -9.219 3.306 2.557 1.00 0.00 C ATOM 756 CD PRO A 50 -8.938 1.910 3.088 1.00 0.00 C ATOM 0 HA PRO A 50 -10.688 3.280 5.509 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -10.939 4.525 3.049 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -9.570 4.765 4.117 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.699 3.253 1.580 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -8.289 3.859 2.426 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -9.218 1.146 2.362 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -7.878 1.773 3.302 1.00 0.00 H new ATOM 764 N ASP A 51 -13.022 3.169 4.840 1.00 0.00 N ATOM 765 CA ASP A 51 -14.432 2.885 4.639 1.00 0.00 C ATOM 766 C ASP A 51 -14.828 3.274 3.213 1.00 0.00 C ATOM 767 O ASP A 51 -14.330 4.262 2.675 1.00 0.00 O ATOM 768 CB ASP A 51 -15.300 3.691 5.607 1.00 0.00 C ATOM 769 CG ASP A 51 -15.005 5.192 5.644 1.00 0.00 C ATOM 770 OD1 ASP A 51 -14.140 5.581 6.458 1.00 0.00 O ATOM 771 OD2 ASP A 51 -15.651 5.917 4.855 1.00 0.00 O ATOM 0 H ASP A 51 -12.827 3.893 5.532 1.00 0.00 H new ATOM 0 HA ASP A 51 -14.590 1.821 4.814 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -16.347 3.548 5.338 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -15.171 3.286 6.611 1.00 0.00 H new ATOM 776 N ASP A 52 -15.720 2.477 2.642 1.00 0.00 N ATOM 777 CA ASP A 52 -16.188 2.726 1.290 1.00 0.00 C ATOM 778 C ASP A 52 -15.058 2.431 0.302 1.00 0.00 C ATOM 779 O ASP A 52 -14.974 3.055 -0.756 1.00 0.00 O ATOM 780 CB ASP A 52 -16.604 4.187 1.111 1.00 0.00 C ATOM 781 CG ASP A 52 -17.894 4.399 0.316 1.00 0.00 C ATOM 782 OD1 ASP A 52 -18.914 3.800 0.718 1.00 0.00 O ATOM 783 OD2 ASP A 52 -17.830 5.158 -0.676 1.00 0.00 O ATOM 0 H ASP A 52 -16.130 1.659 3.092 1.00 0.00 H new ATOM 0 HA ASP A 52 -17.048 2.082 1.107 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -16.724 4.638 2.096 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -15.795 4.721 0.612 1.00 0.00 H new ATOM 788 N ILE A 53 -14.217 1.481 0.679 1.00 0.00 N ATOM 789 CA ILE A 53 -13.095 1.096 -0.160 1.00 0.00 C ATOM 790 C ILE A 53 -12.785 -0.387 0.058 1.00 0.00 C ATOM 791 O ILE A 53 -12.446 -0.797 1.167 1.00 0.00 O ATOM 792 CB ILE A 53 -11.899 2.017 0.088 1.00 0.00 C ATOM 793 CG1 ILE A 53 -12.210 3.449 -0.351 1.00 0.00 C ATOM 794 CG2 ILE A 53 -10.638 1.472 -0.586 1.00 0.00 C ATOM 795 CD1 ILE A 53 -10.984 4.350 -0.190 1.00 0.00 C ATOM 0 H ILE A 53 -14.290 0.965 1.556 1.00 0.00 H new ATOM 0 HA ILE A 53 -13.348 1.218 -1.213 1.00 0.00 H new ATOM 0 HB ILE A 53 -11.705 2.044 1.160 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -12.534 3.452 -1.392 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -13.036 3.843 0.241 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -9.803 2.146 -0.394 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -10.408 0.485 -0.184 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -10.804 1.396 -1.661 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -11.232 5.362 -0.509 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -10.678 4.364 0.856 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -10.168 3.966 -0.802 1.00 0.00 H new ATOM 807 N PRO A 54 -12.916 -1.170 -1.047 1.00 0.00 N ATOM 808 CA PRO A 54 -12.653 -2.598 -0.986 1.00 0.00 C ATOM 809 C PRO A 54 -11.151 -2.877 -0.924 1.00 0.00 C ATOM 810 O PRO A 54 -10.362 -1.984 -0.617 1.00 0.00 O ATOM 811 CB PRO A 54 -13.313 -3.171 -2.230 1.00 0.00 C ATOM 812 CG PRO A 54 -13.517 -1.997 -3.173 1.00 0.00 C ATOM 813 CD PRO A 54 -13.315 -0.718 -2.376 1.00 0.00 C ATOM 0 HA PRO A 54 -13.056 -3.063 -0.086 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -12.685 -3.935 -2.688 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -14.264 -3.644 -1.985 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -12.811 -2.046 -4.002 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -14.517 -2.024 -3.605 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -12.549 -0.087 -2.827 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -14.230 -0.128 -2.335 1.00 0.00 H new ATOM 821 N PHE A 55 -10.799 -4.120 -1.220 1.00 0.00 N ATOM 822 CA PHE A 55 -9.404 -4.528 -1.201 1.00 0.00 C ATOM 823 C PHE A 55 -9.026 -5.247 -2.498 1.00 0.00 C ATOM 824 O PHE A 55 -9.222 -6.455 -2.621 1.00 0.00 O ATOM 825 CB PHE A 55 -9.237 -5.495 -0.027 1.00 0.00 C ATOM 826 CG PHE A 55 -8.057 -6.457 -0.178 1.00 0.00 C ATOM 827 CD1 PHE A 55 -6.808 -5.970 -0.402 1.00 0.00 C ATOM 828 CD2 PHE A 55 -8.259 -7.800 -0.088 1.00 0.00 C ATOM 829 CE1 PHE A 55 -5.712 -6.863 -0.541 1.00 0.00 C ATOM 830 CE2 PHE A 55 -7.164 -8.693 -0.227 1.00 0.00 C ATOM 831 CZ PHE A 55 -5.913 -8.206 -0.451 1.00 0.00 C ATOM 0 H PHE A 55 -11.456 -4.858 -1.474 1.00 0.00 H new ATOM 0 HA PHE A 55 -8.761 -3.653 -1.102 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -9.108 -4.919 0.890 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -10.153 -6.075 0.087 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -6.649 -4.904 -0.474 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -9.252 -8.186 0.089 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -4.719 -6.476 -0.718 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -7.324 -9.759 -0.155 1.00 0.00 H new ATOM 0 HZ PHE A 55 -5.080 -8.885 -0.557 1.00 0.00 H new ATOM 841 N ARG A 56 -8.492 -4.474 -3.431 1.00 0.00 N ATOM 842 CA ARG A 56 -8.084 -5.022 -4.714 1.00 0.00 C ATOM 843 C ARG A 56 -6.774 -4.379 -5.173 1.00 0.00 C ATOM 844 O ARG A 56 -6.246 -3.491 -4.506 1.00 0.00 O ATOM 845 CB ARG A 56 -9.159 -4.791 -5.777 1.00 0.00 C ATOM 846 CG ARG A 56 -10.526 -5.271 -5.289 1.00 0.00 C ATOM 847 CD ARG A 56 -11.218 -6.128 -6.353 1.00 0.00 C ATOM 848 NE ARG A 56 -12.365 -5.390 -6.928 1.00 0.00 N ATOM 849 CZ ARG A 56 -13.323 -5.956 -7.676 1.00 0.00 C ATOM 850 NH1 ARG A 56 -13.277 -7.268 -7.944 1.00 0.00 N ATOM 851 NH2 ARG A 56 -14.327 -5.209 -8.157 1.00 0.00 N ATOM 0 H ARG A 56 -8.332 -3.472 -3.325 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.940 -6.095 -4.587 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.209 -3.730 -6.024 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.890 -5.319 -6.692 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.407 -5.849 -4.372 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -11.151 -4.412 -5.045 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -10.510 -6.387 -7.140 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -11.561 -7.064 -5.912 1.00 0.00 H new ATOM 0 HE ARG A 56 -12.431 -4.389 -6.744 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -12.513 -7.837 -7.579 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -14.006 -7.698 -8.513 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -14.362 -4.210 -7.954 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -15.056 -5.640 -8.726 1.00 0.00 H new ATOM 865 N ASN A 57 -6.287 -4.853 -6.311 1.00 0.00 N ATOM 866 CA ASN A 57 -5.048 -4.336 -6.868 1.00 0.00 C ATOM 867 C ASN A 57 -5.001 -2.819 -6.673 1.00 0.00 C ATOM 868 O ASN A 57 -5.989 -2.127 -6.915 1.00 0.00 O ATOM 869 CB ASN A 57 -4.957 -4.622 -8.368 1.00 0.00 C ATOM 870 CG ASN A 57 -3.645 -5.329 -8.712 1.00 0.00 C ATOM 871 OD1 ASN A 57 -2.688 -4.729 -9.172 1.00 0.00 O ATOM 872 ND2 ASN A 57 -3.654 -6.636 -8.464 1.00 0.00 N ATOM 0 H ASN A 57 -6.728 -5.589 -6.862 1.00 0.00 H new ATOM 0 HA ASN A 57 -4.218 -4.824 -6.357 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.800 -5.241 -8.676 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.028 -3.688 -8.925 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.826 -7.198 -8.660 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -4.489 -7.076 -8.078 1.00 0.00 H new ATOM 879 N PRO A 58 -3.812 -2.334 -6.224 1.00 0.00 N ATOM 880 CA PRO A 58 -3.623 -0.912 -5.993 1.00 0.00 C ATOM 881 C PRO A 58 -3.471 -0.157 -7.316 1.00 0.00 C ATOM 882 O PRO A 58 -3.468 1.073 -7.336 1.00 0.00 O ATOM 883 CB PRO A 58 -2.389 -0.817 -5.111 1.00 0.00 C ATOM 884 CG PRO A 58 -1.665 -2.145 -5.263 1.00 0.00 C ATOM 885 CD PRO A 58 -2.621 -3.123 -5.927 1.00 0.00 C ATOM 0 HA PRO A 58 -4.481 -0.448 -5.507 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -1.752 0.012 -5.418 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -2.665 -0.639 -4.072 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -0.765 -2.022 -5.865 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -1.349 -2.521 -4.290 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -2.189 -3.545 -6.835 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -2.854 -3.959 -5.267 1.00 0.00 H new ATOM 893 N ASN A 59 -3.351 -0.925 -8.389 1.00 0.00 N ATOM 894 CA ASN A 59 -3.200 -0.345 -9.712 1.00 0.00 C ATOM 895 C ASN A 59 -4.578 -0.187 -10.355 1.00 0.00 C ATOM 896 O ASN A 59 -4.918 -0.911 -11.291 1.00 0.00 O ATOM 897 CB ASN A 59 -2.356 -1.247 -10.615 1.00 0.00 C ATOM 898 CG ASN A 59 -1.042 -1.631 -9.934 1.00 0.00 C ATOM 899 OD1 ASN A 59 -0.082 -0.879 -9.908 1.00 0.00 O ATOM 900 ND2 ASN A 59 -1.052 -2.843 -9.384 1.00 0.00 N ATOM 0 H ASN A 59 -3.355 -1.945 -8.369 1.00 0.00 H new ATOM 0 HA ASN A 59 -2.705 0.620 -9.603 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.918 -2.148 -10.862 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -2.147 -0.734 -11.554 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -0.222 -3.192 -8.905 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.890 -3.422 -9.442 1.00 0.00 H new ATOM 907 N THR A 60 -5.337 0.763 -9.829 1.00 0.00 N ATOM 908 CA THR A 60 -6.671 1.025 -10.340 1.00 0.00 C ATOM 909 C THR A 60 -7.353 2.120 -9.518 1.00 0.00 C ATOM 910 O THR A 60 -8.105 2.931 -10.058 1.00 0.00 O ATOM 911 CB THR A 60 -7.442 -0.297 -10.349 1.00 0.00 C ATOM 912 OG1 THR A 60 -8.812 0.099 -10.373 1.00 0.00 O ATOM 913 CG2 THR A 60 -7.300 -1.066 -9.033 1.00 0.00 C ATOM 0 H THR A 60 -5.053 1.361 -9.053 1.00 0.00 H new ATOM 0 HA THR A 60 -6.635 1.405 -11.361 1.00 0.00 H new ATOM 0 HB THR A 60 -7.089 -0.917 -11.173 1.00 0.00 H new ATOM 0 HG1 THR A 60 -9.383 -0.698 -10.382 1.00 0.00 H new ATOM 0 HG21 THR A 60 -7.866 -1.996 -9.092 1.00 0.00 H new ATOM 0 HG22 THR A 60 -6.249 -1.292 -8.855 1.00 0.00 H new ATOM 0 HG23 THR A 60 -7.684 -0.459 -8.213 1.00 0.00 H new ATOM 921 N TYR A 61 -7.065 2.110 -8.225 1.00 0.00 N ATOM 922 CA TYR A 61 -7.640 3.093 -7.322 1.00 0.00 C ATOM 923 C TYR A 61 -7.422 4.513 -7.848 1.00 0.00 C ATOM 924 O TYR A 61 -6.710 4.713 -8.829 1.00 0.00 O ATOM 925 CB TYR A 61 -6.897 2.932 -5.995 1.00 0.00 C ATOM 926 CG TYR A 61 -7.189 1.614 -5.273 1.00 0.00 C ATOM 927 CD1 TYR A 61 -8.492 1.191 -5.111 1.00 0.00 C ATOM 928 CD2 TYR A 61 -6.149 0.850 -4.785 1.00 0.00 C ATOM 929 CE1 TYR A 61 -8.767 -0.049 -4.432 1.00 0.00 C ATOM 930 CE2 TYR A 61 -6.424 -0.390 -4.107 1.00 0.00 C ATOM 931 CZ TYR A 61 -7.719 -0.778 -3.963 1.00 0.00 C ATOM 932 OH TYR A 61 -7.979 -1.949 -3.322 1.00 0.00 O ATOM 0 H TYR A 61 -6.441 1.437 -7.781 1.00 0.00 H new ATOM 0 HA TYR A 61 -8.714 2.939 -7.220 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -5.825 3.003 -6.180 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -7.163 3.761 -5.339 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -9.306 1.790 -5.493 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -5.129 1.182 -4.912 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -9.782 -0.392 -4.298 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -5.619 -0.998 -3.721 1.00 0.00 H new ATOM 0 HH TYR A 61 -7.180 -2.516 -3.339 1.00 0.00 H new ATOM 942 N ASP A 62 -8.048 5.463 -7.168 1.00 0.00 N ATOM 943 CA ASP A 62 -7.931 6.859 -7.554 1.00 0.00 C ATOM 944 C ASP A 62 -7.182 7.624 -6.461 1.00 0.00 C ATOM 945 O ASP A 62 -6.968 7.102 -5.369 1.00 0.00 O ATOM 946 CB ASP A 62 -9.309 7.502 -7.721 1.00 0.00 C ATOM 947 CG ASP A 62 -10.355 6.621 -8.409 1.00 0.00 C ATOM 948 OD1 ASP A 62 -10.038 6.117 -9.508 1.00 0.00 O ATOM 949 OD2 ASP A 62 -11.447 6.471 -7.819 1.00 0.00 O ATOM 0 H ASP A 62 -8.637 5.293 -6.353 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.395 6.903 -8.502 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.684 7.783 -6.737 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.197 8.422 -8.295 1.00 0.00 H new ATOM 954 N ILE A 63 -6.805 8.850 -6.794 1.00 0.00 N ATOM 955 CA ILE A 63 -6.084 9.693 -5.854 1.00 0.00 C ATOM 956 C ILE A 63 -6.736 9.583 -4.474 1.00 0.00 C ATOM 957 O ILE A 63 -6.043 9.550 -3.458 1.00 0.00 O ATOM 958 CB ILE A 63 -5.997 11.127 -6.379 1.00 0.00 C ATOM 959 CG1 ILE A 63 -4.619 11.731 -6.096 1.00 0.00 C ATOM 960 CG2 ILE A 63 -7.128 11.989 -5.815 1.00 0.00 C ATOM 961 CD1 ILE A 63 -4.692 13.258 -6.032 1.00 0.00 C ATOM 0 H ILE A 63 -6.985 9.280 -7.701 1.00 0.00 H new ATOM 0 HA ILE A 63 -5.054 9.353 -5.749 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.122 11.102 -7.461 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.234 11.342 -5.153 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.919 11.429 -6.875 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -7.042 13.003 -6.205 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -8.089 11.567 -6.110 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -7.061 12.011 -4.727 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.700 13.662 -5.830 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.054 13.645 -6.984 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.374 13.557 -5.236 1.00 0.00 H new ATOM 973 N HIS A 64 -8.060 9.528 -4.482 1.00 0.00 N ATOM 974 CA HIS A 64 -8.812 9.422 -3.244 1.00 0.00 C ATOM 975 C HIS A 64 -8.464 8.107 -2.543 1.00 0.00 C ATOM 976 O HIS A 64 -7.769 8.105 -1.528 1.00 0.00 O ATOM 977 CB HIS A 64 -10.311 9.575 -3.504 1.00 0.00 C ATOM 978 CG HIS A 64 -10.766 11.008 -3.650 1.00 0.00 C ATOM 979 ND1 HIS A 64 -11.402 11.700 -2.636 1.00 0.00 N ATOM 980 CD2 HIS A 64 -10.667 11.871 -4.703 1.00 0.00 C ATOM 981 CE1 HIS A 64 -11.671 12.924 -3.068 1.00 0.00 C ATOM 982 NE2 HIS A 64 -11.215 13.027 -4.349 1.00 0.00 N ATOM 0 H HIS A 64 -8.631 9.555 -5.327 1.00 0.00 H new ATOM 0 HA HIS A 64 -8.533 10.236 -2.575 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -10.570 9.028 -4.411 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -10.861 9.112 -2.685 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -10.219 11.651 -5.661 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -12.164 13.702 -2.505 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -11.284 13.856 -4.939 1.00 0.00 H new ATOM 990 N ARG A 65 -8.963 7.019 -3.112 1.00 0.00 N ATOM 991 CA ARG A 65 -8.714 5.701 -2.555 1.00 0.00 C ATOM 992 C ARG A 65 -7.232 5.542 -2.210 1.00 0.00 C ATOM 993 O ARG A 65 -6.890 5.086 -1.120 1.00 0.00 O ATOM 994 CB ARG A 65 -9.123 4.602 -3.538 1.00 0.00 C ATOM 995 CG ARG A 65 -10.643 4.551 -3.702 1.00 0.00 C ATOM 996 CD ARG A 65 -11.095 3.174 -4.194 1.00 0.00 C ATOM 997 NE ARG A 65 -12.547 3.006 -3.963 1.00 0.00 N ATOM 998 CZ ARG A 65 -13.498 3.534 -4.745 1.00 0.00 C ATOM 999 NH1 ARG A 65 -13.157 4.266 -5.814 1.00 0.00 N ATOM 1000 NH2 ARG A 65 -14.791 3.330 -4.459 1.00 0.00 N ATOM 0 H ARG A 65 -9.539 7.024 -3.954 1.00 0.00 H new ATOM 0 HA ARG A 65 -9.313 5.604 -1.650 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -8.655 4.782 -4.506 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -8.759 3.638 -3.183 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -11.123 4.777 -2.750 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -10.962 5.317 -4.409 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -10.872 3.067 -5.256 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -10.542 2.393 -3.672 1.00 0.00 H new ATOM 0 HE ARG A 65 -12.842 2.454 -3.158 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -12.173 4.421 -6.033 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -13.881 4.668 -6.409 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -15.052 2.773 -3.646 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -15.515 3.732 -5.055 1.00 0.00 H new ATOM 1014 N LEU A 66 -6.391 5.928 -3.159 1.00 0.00 N ATOM 1015 CA LEU A 66 -4.954 5.834 -2.968 1.00 0.00 C ATOM 1016 C LEU A 66 -4.562 6.590 -1.698 1.00 0.00 C ATOM 1017 O LEU A 66 -3.768 6.097 -0.897 1.00 0.00 O ATOM 1018 CB LEU A 66 -4.215 6.310 -4.221 1.00 0.00 C ATOM 1019 CG LEU A 66 -4.240 5.357 -5.418 1.00 0.00 C ATOM 1020 CD1 LEU A 66 -3.495 5.958 -6.612 1.00 0.00 C ATOM 1021 CD2 LEU A 66 -3.690 3.982 -5.033 1.00 0.00 C ATOM 0 H LEU A 66 -6.678 6.306 -4.062 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.656 4.795 -2.825 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.644 7.263 -4.532 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.175 6.500 -3.955 1.00 0.00 H new ATOM 0 HG LEU A 66 -5.277 5.216 -5.723 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -3.527 5.261 -7.449 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.969 6.896 -6.902 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.457 6.146 -6.336 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.718 3.323 -5.901 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.661 4.085 -4.689 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.299 3.557 -4.235 1.00 0.00 H new ATOM 1033 N GLU A 67 -5.135 7.776 -1.552 1.00 0.00 N ATOM 1034 CA GLU A 67 -4.855 8.605 -0.392 1.00 0.00 C ATOM 1035 C GLU A 67 -5.491 7.998 0.860 1.00 0.00 C ATOM 1036 O GLU A 67 -4.813 7.788 1.865 1.00 0.00 O ATOM 1037 CB GLU A 67 -5.339 10.039 -0.614 1.00 0.00 C ATOM 1038 CG GLU A 67 -4.316 10.847 -1.412 1.00 0.00 C ATOM 1039 CD GLU A 67 -3.668 11.926 -0.542 1.00 0.00 C ATOM 1040 OE1 GLU A 67 -4.435 12.743 0.013 1.00 0.00 O ATOM 1041 OE2 GLU A 67 -2.421 11.908 -0.450 1.00 0.00 O ATOM 0 H GLU A 67 -5.792 8.182 -2.218 1.00 0.00 H new ATOM 0 HA GLU A 67 -3.775 8.640 -0.246 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.291 10.027 -1.144 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.516 10.520 0.348 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.547 10.181 -1.804 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.803 11.311 -2.270 1.00 0.00 H new ATOM 1048 N LYS A 68 -6.786 7.734 0.758 1.00 0.00 N ATOM 1049 CA LYS A 68 -7.520 7.156 1.871 1.00 0.00 C ATOM 1050 C LYS A 68 -6.752 5.948 2.410 1.00 0.00 C ATOM 1051 O LYS A 68 -6.405 5.904 3.590 1.00 0.00 O ATOM 1052 CB LYS A 68 -8.957 6.836 1.455 1.00 0.00 C ATOM 1053 CG LYS A 68 -9.624 8.050 0.806 1.00 0.00 C ATOM 1054 CD LYS A 68 -10.930 8.406 1.519 1.00 0.00 C ATOM 1055 CE LYS A 68 -11.595 9.621 0.870 1.00 0.00 C ATOM 1056 NZ LYS A 68 -12.191 10.498 1.903 1.00 0.00 N ATOM 0 H LYS A 68 -7.345 7.910 -0.077 1.00 0.00 H new ATOM 0 HA LYS A 68 -7.601 7.873 2.688 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.959 5.999 0.757 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -9.531 6.525 2.328 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -8.945 8.902 0.837 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -9.825 7.840 -0.245 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -11.610 7.555 1.487 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -10.730 8.615 2.570 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -10.860 10.179 0.290 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -12.367 9.292 0.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -12.638 11.318 1.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -12.907 9.967 2.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -11.447 10.826 2.551 1.00 0.00 H new ATOM 1070 N ILE A 69 -6.510 4.995 1.522 1.00 0.00 N ATOM 1071 CA ILE A 69 -5.790 3.789 1.894 1.00 0.00 C ATOM 1072 C ILE A 69 -4.462 4.175 2.548 1.00 0.00 C ATOM 1073 O ILE A 69 -4.036 3.548 3.516 1.00 0.00 O ATOM 1074 CB ILE A 69 -5.634 2.863 0.686 1.00 0.00 C ATOM 1075 CG1 ILE A 69 -6.999 2.492 0.101 1.00 0.00 C ATOM 1076 CG2 ILE A 69 -4.808 1.628 1.046 1.00 0.00 C ATOM 1077 CD1 ILE A 69 -6.881 2.140 -1.384 1.00 0.00 C ATOM 0 H ILE A 69 -6.800 5.034 0.545 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.356 3.220 2.631 1.00 0.00 H new ATOM 0 HB ILE A 69 -5.087 3.400 -0.089 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -7.415 1.645 0.647 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -7.691 3.324 0.227 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.712 0.986 0.170 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.817 1.937 1.379 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.305 1.078 1.846 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -7.864 1.880 -1.776 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.487 2.997 -1.931 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -6.207 1.292 -1.504 1.00 0.00 H new ATOM 1089 N LEU A 70 -3.842 5.208 1.992 1.00 0.00 N ATOM 1090 CA LEU A 70 -2.572 5.684 2.510 1.00 0.00 C ATOM 1091 C LEU A 70 -2.788 6.304 3.892 1.00 0.00 C ATOM 1092 O LEU A 70 -1.928 6.200 4.764 1.00 0.00 O ATOM 1093 CB LEU A 70 -1.907 6.632 1.509 1.00 0.00 C ATOM 1094 CG LEU A 70 -1.158 5.967 0.352 1.00 0.00 C ATOM 1095 CD1 LEU A 70 -0.738 6.999 -0.696 1.00 0.00 C ATOM 1096 CD2 LEU A 70 0.032 5.154 0.865 1.00 0.00 C ATOM 0 H LEU A 70 -4.197 5.727 1.189 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.878 4.853 2.638 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.674 7.285 1.092 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.207 7.268 2.051 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.837 5.270 -0.138 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.208 6.499 -1.507 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.623 7.495 -1.093 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.083 7.739 -0.236 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.547 4.692 0.023 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.721 5.812 1.395 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.323 4.378 1.543 1.00 0.00 H new ATOM 1108 N LYS A 71 -3.942 6.935 4.047 1.00 0.00 N ATOM 1109 CA LYS A 71 -4.283 7.572 5.308 1.00 0.00 C ATOM 1110 C LYS A 71 -4.540 6.496 6.365 1.00 0.00 C ATOM 1111 O LYS A 71 -4.461 6.766 7.562 1.00 0.00 O ATOM 1112 CB LYS A 71 -5.452 8.542 5.120 1.00 0.00 C ATOM 1113 CG LYS A 71 -5.044 9.971 5.486 1.00 0.00 C ATOM 1114 CD LYS A 71 -6.269 10.882 5.585 1.00 0.00 C ATOM 1115 CE LYS A 71 -5.865 12.354 5.495 1.00 0.00 C ATOM 1116 NZ LYS A 71 -6.042 13.022 6.803 1.00 0.00 N ATOM 0 H LYS A 71 -4.653 7.019 3.321 1.00 0.00 H new ATOM 0 HA LYS A 71 -3.451 8.178 5.666 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -5.792 8.511 4.085 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.292 8.230 5.741 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.510 9.969 6.436 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.356 10.360 4.735 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.970 10.644 4.785 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -6.787 10.700 6.527 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.825 12.433 5.178 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -6.468 12.857 4.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -5.763 14.021 6.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -7.040 12.963 7.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -5.448 12.552 7.516 1.00 0.00 H new ATOM 1130 N ALA A 72 -4.843 5.300 5.883 1.00 0.00 N ATOM 1131 CA ALA A 72 -5.112 4.182 6.771 1.00 0.00 C ATOM 1132 C ALA A 72 -4.058 3.095 6.551 1.00 0.00 C ATOM 1133 O ALA A 72 -4.312 1.918 6.804 1.00 0.00 O ATOM 1134 CB ALA A 72 -6.535 3.671 6.533 1.00 0.00 C ATOM 0 H ALA A 72 -4.908 5.081 4.889 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.048 4.496 7.813 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.737 2.832 7.199 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.247 4.472 6.732 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.636 3.345 5.498 1.00 0.00 H new ATOM 1140 N ARG A 73 -2.898 3.529 6.082 1.00 0.00 N ATOM 1141 CA ARG A 73 -1.804 2.608 5.825 1.00 0.00 C ATOM 1142 C ARG A 73 -1.368 1.925 7.123 1.00 0.00 C ATOM 1143 O ARG A 73 -0.970 0.761 7.112 1.00 0.00 O ATOM 1144 CB ARG A 73 -0.604 3.335 5.211 1.00 0.00 C ATOM 1145 CG ARG A 73 -0.092 4.432 6.146 1.00 0.00 C ATOM 1146 CD ARG A 73 1.067 5.200 5.508 1.00 0.00 C ATOM 1147 NE ARG A 73 1.526 6.274 6.417 1.00 0.00 N ATOM 1148 CZ ARG A 73 2.307 7.294 6.041 1.00 0.00 C ATOM 1149 NH1 ARG A 73 2.724 7.385 4.770 1.00 0.00 N ATOM 1150 NH2 ARG A 73 2.674 8.223 6.933 1.00 0.00 N ATOM 0 H ARG A 73 -2.692 4.506 5.873 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.161 1.859 5.119 1.00 0.00 H new ATOM 0 HB2 ARG A 73 0.195 2.621 5.010 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -0.889 3.772 4.254 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -0.903 5.121 6.382 1.00 0.00 H new ATOM 0 HG3 ARG A 73 0.235 3.989 7.087 1.00 0.00 H new ATOM 0 HD2 ARG A 73 1.890 4.519 5.292 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.750 5.628 4.557 1.00 0.00 H new ATOM 0 HE ARG A 73 1.228 6.234 7.392 1.00 0.00 H new ATOM 0 HH11 ARG A 73 2.446 6.677 4.090 1.00 0.00 H new ATOM 0 HH12 ARG A 73 3.319 8.162 4.483 1.00 0.00 H new ATOM 0 HH21 ARG A 73 2.358 8.154 7.900 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.269 9.000 6.645 1.00 0.00 H new ATOM 1164 N GLU A 74 -1.459 2.678 8.209 1.00 0.00 N ATOM 1165 CA GLU A 74 -1.080 2.159 9.513 1.00 0.00 C ATOM 1166 C GLU A 74 -2.197 1.283 10.080 1.00 0.00 C ATOM 1167 O GLU A 74 -1.939 0.380 10.876 1.00 0.00 O ATOM 1168 CB GLU A 74 -0.732 3.297 10.475 1.00 0.00 C ATOM 1169 CG GLU A 74 0.780 3.524 10.533 1.00 0.00 C ATOM 1170 CD GLU A 74 1.283 3.500 11.978 1.00 0.00 C ATOM 1171 OE1 GLU A 74 1.204 2.412 12.588 1.00 0.00 O ATOM 1172 OE2 GLU A 74 1.734 4.570 12.439 1.00 0.00 O ATOM 0 H GLU A 74 -1.789 3.643 8.213 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.189 1.543 9.393 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.229 4.213 10.155 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.107 3.063 11.471 1.00 0.00 H new ATOM 0 HG2 GLU A 74 1.289 2.754 9.954 1.00 0.00 H new ATOM 0 HG3 GLU A 74 1.025 4.482 10.075 1.00 0.00 H new ATOM 1179 N HIS A 75 -3.415 1.578 9.650 1.00 0.00 N ATOM 1180 CA HIS A 75 -4.572 0.828 10.106 1.00 0.00 C ATOM 1181 C HIS A 75 -4.674 -0.484 9.325 1.00 0.00 C ATOM 1182 O HIS A 75 -4.974 -1.531 9.898 1.00 0.00 O ATOM 1183 CB HIS A 75 -5.842 1.676 10.008 1.00 0.00 C ATOM 1184 CG HIS A 75 -6.133 2.491 11.245 1.00 0.00 C ATOM 1185 ND1 HIS A 75 -6.680 1.944 12.393 1.00 0.00 N ATOM 1186 CD2 HIS A 75 -5.945 3.817 11.504 1.00 0.00 C ATOM 1187 CE1 HIS A 75 -6.813 2.907 13.293 1.00 0.00 C ATOM 1188 NE2 HIS A 75 -6.357 4.066 12.740 1.00 0.00 N ATOM 0 H HIS A 75 -3.625 2.327 8.990 1.00 0.00 H new ATOM 0 HA HIS A 75 -4.454 0.575 11.160 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -5.753 2.349 9.155 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -6.690 1.020 9.809 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -5.531 4.542 10.819 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -7.213 2.793 14.290 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -6.336 4.976 13.201 1.00 0.00 H new ATOM 1196 N VAL A 76 -4.419 -0.385 8.029 1.00 0.00 N ATOM 1197 CA VAL A 76 -4.477 -1.551 7.163 1.00 0.00 C ATOM 1198 C VAL A 76 -3.725 -2.708 7.823 1.00 0.00 C ATOM 1199 O VAL A 76 -2.569 -2.561 8.213 1.00 0.00 O ATOM 1200 CB VAL A 76 -3.936 -1.200 5.776 1.00 0.00 C ATOM 1201 CG1 VAL A 76 -3.817 -2.450 4.902 1.00 0.00 C ATOM 1202 CG2 VAL A 76 -4.807 -0.139 5.099 1.00 0.00 C ATOM 0 H VAL A 76 -4.172 0.485 7.557 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.509 -1.872 7.023 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.937 -0.782 5.902 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.430 -2.173 3.921 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -3.137 -3.160 5.373 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.799 -2.909 4.788 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.400 0.092 4.115 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.824 -0.517 4.992 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.819 0.765 5.708 1.00 0.00 H new ATOM 1212 N ARG A 77 -4.414 -3.836 7.927 1.00 0.00 N ATOM 1213 CA ARG A 77 -3.826 -5.018 8.532 1.00 0.00 C ATOM 1214 C ARG A 77 -4.226 -6.271 7.749 1.00 0.00 C ATOM 1215 O ARG A 77 -5.378 -6.410 7.340 1.00 0.00 O ATOM 1216 CB ARG A 77 -4.273 -5.172 9.987 1.00 0.00 C ATOM 1217 CG ARG A 77 -3.659 -6.422 10.620 1.00 0.00 C ATOM 1218 CD ARG A 77 -2.396 -6.074 11.410 1.00 0.00 C ATOM 1219 NE ARG A 77 -2.725 -5.130 12.502 1.00 0.00 N ATOM 1220 CZ ARG A 77 -2.572 -3.801 12.418 1.00 0.00 C ATOM 1221 NH1 ARG A 77 -2.093 -3.251 11.294 1.00 0.00 N ATOM 1222 NH2 ARG A 77 -2.898 -3.023 13.459 1.00 0.00 N ATOM 0 H ARG A 77 -5.374 -3.955 7.602 1.00 0.00 H new ATOM 0 HA ARG A 77 -2.743 -4.899 8.506 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.980 -4.290 10.557 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -5.360 -5.234 10.033 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -4.386 -6.894 11.280 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -3.417 -7.146 9.842 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -1.954 -6.981 11.823 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -1.653 -5.631 10.747 1.00 0.00 H new ATOM 0 HE ARG A 77 -3.091 -5.515 13.373 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -1.845 -3.844 10.502 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -1.977 -2.240 11.230 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -3.262 -3.442 14.315 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -2.782 -2.012 13.396 1.00 0.00 H new ATOM 1236 N MET A 78 -3.251 -7.149 7.561 1.00 0.00 N ATOM 1237 CA MET A 78 -3.487 -8.384 6.834 1.00 0.00 C ATOM 1238 C MET A 78 -3.368 -9.597 7.760 1.00 0.00 C ATOM 1239 O MET A 78 -2.497 -9.637 8.627 1.00 0.00 O ATOM 1240 CB MET A 78 -2.472 -8.509 5.696 1.00 0.00 C ATOM 1241 CG MET A 78 -2.830 -7.576 4.537 1.00 0.00 C ATOM 1242 SD MET A 78 -1.539 -7.610 3.306 1.00 0.00 S ATOM 1243 CE MET A 78 -2.295 -6.610 2.037 1.00 0.00 C ATOM 0 H MET A 78 -2.296 -7.029 7.900 1.00 0.00 H new ATOM 0 HA MET A 78 -4.499 -8.357 6.429 1.00 0.00 H new ATOM 0 HB2 MET A 78 -1.475 -8.270 6.065 1.00 0.00 H new ATOM 0 HB3 MET A 78 -2.442 -9.540 5.342 1.00 0.00 H new ATOM 0 HG2 MET A 78 -3.777 -7.882 4.092 1.00 0.00 H new ATOM 0 HG3 MET A 78 -2.965 -6.559 4.906 1.00 0.00 H new ATOM 0 HE1 MET A 78 -1.522 -6.203 1.386 1.00 0.00 H new ATOM 0 HE2 MET A 78 -2.979 -7.223 1.450 1.00 0.00 H new ATOM 0 HE3 MET A 78 -2.847 -5.792 2.499 1.00 0.00 H new ATOM 1253 N VAL A 79 -4.257 -10.556 7.543 1.00 0.00 N ATOM 1254 CA VAL A 79 -4.262 -11.766 8.347 1.00 0.00 C ATOM 1255 C VAL A 79 -4.372 -12.983 7.427 1.00 0.00 C ATOM 1256 O VAL A 79 -5.341 -13.117 6.682 1.00 0.00 O ATOM 1257 CB VAL A 79 -5.383 -11.699 9.386 1.00 0.00 C ATOM 1258 CG1 VAL A 79 -5.455 -12.993 10.200 1.00 0.00 C ATOM 1259 CG2 VAL A 79 -5.212 -10.485 10.301 1.00 0.00 C ATOM 0 H VAL A 79 -4.978 -10.519 6.822 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.328 -11.860 8.901 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.327 -11.586 8.852 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -6.260 -12.919 10.931 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.648 -13.833 9.532 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -4.509 -13.151 10.717 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -6.022 -10.462 11.030 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.257 -10.554 10.822 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.235 -9.573 9.704 1.00 0.00 H new ATOM 1269 N ILE A 80 -3.365 -13.841 7.510 1.00 0.00 N ATOM 1270 CA ILE A 80 -3.336 -15.043 6.695 1.00 0.00 C ATOM 1271 C ILE A 80 -4.417 -16.010 7.180 1.00 0.00 C ATOM 1272 O ILE A 80 -4.286 -16.607 8.248 1.00 0.00 O ATOM 1273 CB ILE A 80 -1.931 -15.648 6.681 1.00 0.00 C ATOM 1274 CG1 ILE A 80 -0.886 -14.601 6.289 1.00 0.00 C ATOM 1275 CG2 ILE A 80 -1.873 -16.881 5.777 1.00 0.00 C ATOM 1276 CD1 ILE A 80 -0.984 -14.259 4.801 1.00 0.00 C ATOM 0 H ILE A 80 -2.563 -13.727 8.130 1.00 0.00 H new ATOM 0 HA ILE A 80 -3.565 -14.804 5.657 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.692 -15.978 7.692 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.029 -13.699 6.883 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.112 -14.976 6.515 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.863 -17.291 5.785 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.573 -17.633 6.142 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -2.141 -16.599 4.759 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.231 -13.513 4.549 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.816 -15.159 4.209 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -1.975 -13.861 4.584 1.00 0.00 H new ATOM 1288 N ILE A 81 -5.461 -16.134 6.374 1.00 0.00 N ATOM 1289 CA ILE A 81 -6.564 -17.018 6.709 1.00 0.00 C ATOM 1290 C ILE A 81 -6.155 -18.465 6.431 1.00 0.00 C ATOM 1291 O ILE A 81 -6.189 -19.307 7.327 1.00 0.00 O ATOM 1292 CB ILE A 81 -7.837 -16.588 5.977 1.00 0.00 C ATOM 1293 CG1 ILE A 81 -8.254 -15.175 6.388 1.00 0.00 C ATOM 1294 CG2 ILE A 81 -8.962 -17.603 6.190 1.00 0.00 C ATOM 1295 CD1 ILE A 81 -8.389 -15.063 7.907 1.00 0.00 C ATOM 0 H ILE A 81 -5.566 -15.637 5.490 1.00 0.00 H new ATOM 0 HA ILE A 81 -6.796 -16.950 7.772 1.00 0.00 H new ATOM 0 HB ILE A 81 -7.625 -16.563 4.908 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -7.517 -14.456 6.031 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.203 -14.920 5.915 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -9.855 -17.273 5.659 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.652 -18.576 5.808 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -9.182 -17.684 7.254 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -8.686 -14.048 8.172 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -9.145 -15.766 8.258 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -7.432 -15.295 8.375 1.00 0.00 H new ATOM 1307 N ASN A 82 -5.776 -18.711 5.184 1.00 0.00 N ATOM 1308 CA ASN A 82 -5.360 -20.043 4.777 1.00 0.00 C ATOM 1309 C ASN A 82 -4.126 -19.933 3.879 1.00 0.00 C ATOM 1310 O ASN A 82 -4.249 -19.718 2.674 1.00 0.00 O ATOM 1311 CB ASN A 82 -6.463 -20.745 3.984 1.00 0.00 C ATOM 1312 CG ASN A 82 -6.791 -22.111 4.592 1.00 0.00 C ATOM 1313 OD1 ASN A 82 -5.983 -23.025 4.600 1.00 0.00 O ATOM 1314 ND2 ASN A 82 -8.017 -22.198 5.097 1.00 0.00 N ATOM 0 H ASN A 82 -5.749 -18.011 4.443 1.00 0.00 H new ATOM 0 HA ASN A 82 -5.141 -20.619 5.676 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -7.359 -20.124 3.972 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -6.148 -20.870 2.948 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -8.332 -23.069 5.524 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -8.643 -21.394 5.057 1.00 0.00 H new ATOM 1321 N GLN A 83 -2.966 -20.088 4.499 1.00 0.00 N ATOM 1322 CA GLN A 83 -1.711 -20.009 3.769 1.00 0.00 C ATOM 1323 C GLN A 83 -1.849 -20.686 2.404 1.00 0.00 C ATOM 1324 O GLN A 83 -2.393 -21.784 2.303 1.00 0.00 O ATOM 1325 CB GLN A 83 -0.569 -20.629 4.577 1.00 0.00 C ATOM 1326 CG GLN A 83 0.733 -19.854 4.369 1.00 0.00 C ATOM 1327 CD GLN A 83 1.807 -20.309 5.359 1.00 0.00 C ATOM 1328 OE1 GLN A 83 1.735 -20.058 6.551 1.00 0.00 O ATOM 1329 NE2 GLN A 83 2.804 -20.990 4.801 1.00 0.00 N ATOM 0 H GLN A 83 -2.868 -20.268 5.498 1.00 0.00 H new ATOM 0 HA GLN A 83 -1.470 -18.958 3.608 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -0.828 -20.634 5.636 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -0.430 -21.668 4.278 1.00 0.00 H new ATOM 0 HG2 GLN A 83 1.088 -20.000 3.349 1.00 0.00 H new ATOM 0 HG3 GLN A 83 0.549 -18.787 4.492 1.00 0.00 H new ATOM 0 HE21 GLN A 83 2.802 -21.165 3.796 1.00 0.00 H new ATOM 0 HE22 GLN A 83 3.570 -21.337 5.378 1.00 0.00 H new ATOM 1338 N SER A 84 -1.344 -20.003 1.387 1.00 0.00 N ATOM 1339 CA SER A 84 -1.402 -20.523 0.032 1.00 0.00 C ATOM 1340 C SER A 84 -0.746 -19.537 -0.936 1.00 0.00 C ATOM 1341 O SER A 84 -1.310 -18.485 -1.233 1.00 0.00 O ATOM 1342 CB SER A 84 -2.847 -20.799 -0.390 1.00 0.00 C ATOM 1343 OG SER A 84 -3.619 -19.604 -0.466 1.00 0.00 O ATOM 0 H SER A 84 -0.892 -19.093 1.475 1.00 0.00 H new ATOM 0 HA SER A 84 -0.857 -21.466 0.004 1.00 0.00 H new ATOM 0 HB2 SER A 84 -2.853 -21.296 -1.360 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.308 -21.484 0.322 1.00 0.00 H new ATOM 0 HG SER A 84 -3.050 -18.866 -0.768 1.00 0.00 H new ATOM 1349 N GLY A 85 0.436 -19.913 -1.402 1.00 0.00 N ATOM 1350 CA GLY A 85 1.175 -19.076 -2.331 1.00 0.00 C ATOM 1351 C GLY A 85 2.635 -18.930 -1.896 1.00 0.00 C ATOM 1352 O GLY A 85 2.921 -18.309 -0.873 1.00 0.00 O ATOM 0 H GLY A 85 0.900 -20.787 -1.153 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.131 -19.509 -3.330 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.709 -18.092 -2.389 1.00 0.00 H new ATOM 1356 N PRO A 86 3.541 -19.526 -2.715 1.00 0.00 N ATOM 1357 CA PRO A 86 4.964 -19.469 -2.425 1.00 0.00 C ATOM 1358 C PRO A 86 5.533 -18.085 -2.745 1.00 0.00 C ATOM 1359 O PRO A 86 4.807 -17.200 -3.196 1.00 0.00 O ATOM 1360 CB PRO A 86 5.582 -20.574 -3.266 1.00 0.00 C ATOM 1361 CG PRO A 86 4.558 -20.902 -4.340 1.00 0.00 C ATOM 1362 CD PRO A 86 3.238 -20.269 -3.935 1.00 0.00 C ATOM 0 HA PRO A 86 5.184 -19.621 -1.368 1.00 0.00 H new ATOM 0 HB2 PRO A 86 6.523 -20.248 -3.710 1.00 0.00 H new ATOM 0 HB3 PRO A 86 5.804 -21.450 -2.657 1.00 0.00 H new ATOM 0 HG2 PRO A 86 4.884 -20.519 -5.307 1.00 0.00 H new ATOM 0 HG3 PRO A 86 4.447 -21.981 -4.445 1.00 0.00 H new ATOM 0 HD2 PRO A 86 2.859 -19.610 -4.716 1.00 0.00 H new ATOM 0 HD3 PRO A 86 2.474 -21.026 -3.758 1.00 0.00 H new ATOM 1370 N SER A 87 6.827 -17.940 -2.499 1.00 0.00 N ATOM 1371 CA SER A 87 7.502 -16.680 -2.757 1.00 0.00 C ATOM 1372 C SER A 87 8.804 -16.929 -3.519 1.00 0.00 C ATOM 1373 O SER A 87 9.357 -18.027 -3.469 1.00 0.00 O ATOM 1374 CB SER A 87 7.786 -15.932 -1.452 1.00 0.00 C ATOM 1375 OG SER A 87 7.164 -14.650 -1.426 1.00 0.00 O ATOM 0 H SER A 87 7.426 -18.675 -2.123 1.00 0.00 H new ATOM 0 HA SER A 87 6.846 -16.059 -3.367 1.00 0.00 H new ATOM 0 HB2 SER A 87 7.430 -16.525 -0.609 1.00 0.00 H new ATOM 0 HB3 SER A 87 8.863 -15.815 -1.328 1.00 0.00 H new ATOM 0 HG SER A 87 7.367 -14.205 -0.577 1.00 0.00 H new ATOM 1381 N SER A 88 9.257 -15.892 -4.209 1.00 0.00 N ATOM 1382 CA SER A 88 10.484 -15.985 -4.980 1.00 0.00 C ATOM 1383 C SER A 88 10.751 -14.662 -5.700 1.00 0.00 C ATOM 1384 O SER A 88 10.146 -14.380 -6.734 1.00 0.00 O ATOM 1385 CB SER A 88 10.415 -17.133 -5.989 1.00 0.00 C ATOM 1386 OG SER A 88 10.922 -18.350 -5.450 1.00 0.00 O ATOM 0 H SER A 88 8.796 -14.983 -4.250 1.00 0.00 H new ATOM 0 HA SER A 88 11.305 -16.190 -4.293 1.00 0.00 H new ATOM 0 HB2 SER A 88 9.381 -17.278 -6.302 1.00 0.00 H new ATOM 0 HB3 SER A 88 10.984 -16.867 -6.880 1.00 0.00 H new ATOM 0 HG SER A 88 10.348 -18.646 -4.713 1.00 0.00 H new ATOM 1392 N GLY A 89 11.657 -13.884 -5.125 1.00 0.00 N ATOM 1393 CA GLY A 89 12.011 -12.597 -5.699 1.00 0.00 C ATOM 1394 C GLY A 89 13.500 -12.302 -5.507 1.00 0.00 C ATOM 1395 O GLY A 89 14.249 -13.155 -5.031 1.00 0.00 O ATOM 0 H GLY A 89 12.156 -14.120 -4.268 1.00 0.00 H new ATOM 0 HA2 GLY A 89 11.769 -12.590 -6.762 1.00 0.00 H new ATOM 0 HA3 GLY A 89 11.418 -11.811 -5.232 1.00 0.00 H new TER 1399 GLY A 89