USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 729 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 78 TYR OH : rot 146:sc= 0.397 USER MOD Set 1.2: A 82 CYS SG : rot 155:sc= -0.117 USER MOD Set 2.1: A 46 GLN : amide:sc= -1.28 X(o=-1.3,f=-1.5) USER MOD Set 2.2: A 53 LYS NZ :NH3+ 165:sc= -0.0172 (180deg=-0.186) USER MOD Set 3.1: A 27 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 31 ASN : amide:sc= 1.01 K(o=1,f=-0.065) USER MOD Set 4.1: A 5 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 9 SER OG : rot -150:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 150:sc= 1.22 (180deg=0.5) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0384 USER MOD Single : A 3 SER OG : rot 180:sc= 0.0124 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0193) USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl -176:sc= -0.138 (180deg=-0.22) USER MOD Single : A 19 SER OG : rot 180:sc= 0.00499 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -167:sc= 1.27 (180deg=1.21) USER MOD Single : A 25 GLN : amide:sc= 0.524 K(o=0.52,f=-0.063) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 160:sc= -0.0612 (180deg=-0.332) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=-0.0063) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.0519 X(o=-0.052,f=0) USER MOD Single : A 55 SER OG : rot -160:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.583 K(o=-0.58,f=-3.2!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0.00819 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 84:sc= 0.00374 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= -0.0274 K(o=-0.027,f=-0.97) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.244 7.467 4.520 1.00 0.00 N ATOM 2 CA GLY A 1 -17.922 8.898 4.472 1.00 0.00 C ATOM 3 C GLY A 1 -19.108 9.632 3.879 1.00 0.00 C ATOM 4 O GLY A 1 -20.249 9.311 4.211 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.370 6.911 4.423 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.698 7.244 5.429 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.892 7.231 3.742 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.705 9.272 5.472 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.030 9.067 3.868 1.00 0.00 H new ATOM 8 N SER A 2 -18.892 10.662 3.059 1.00 0.00 N ATOM 9 CA SER A 2 -20.008 11.378 2.447 1.00 0.00 C ATOM 10 C SER A 2 -20.685 10.431 1.447 1.00 0.00 C ATOM 11 O SER A 2 -20.017 9.564 0.871 1.00 0.00 O ATOM 12 CB SER A 2 -19.510 12.680 1.802 1.00 0.00 C ATOM 13 OG SER A 2 -18.177 12.584 1.318 1.00 0.00 O ATOM 0 H SER A 2 -17.968 11.014 2.807 1.00 0.00 H new ATOM 0 HA SER A 2 -20.747 11.674 3.192 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.172 12.947 0.978 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.568 13.487 2.533 1.00 0.00 H new ATOM 0 HG SER A 2 -17.912 13.438 0.917 1.00 0.00 H new ATOM 19 N SER A 3 -21.986 10.579 1.224 1.00 0.00 N ATOM 20 CA SER A 3 -22.725 9.735 0.302 1.00 0.00 C ATOM 21 C SER A 3 -22.741 10.328 -1.110 1.00 0.00 C ATOM 22 O SER A 3 -22.240 11.435 -1.339 1.00 0.00 O ATOM 23 CB SER A 3 -24.139 9.551 0.865 1.00 0.00 C ATOM 24 OG SER A 3 -24.744 10.788 1.177 1.00 0.00 O ATOM 0 H SER A 3 -22.556 11.291 1.681 1.00 0.00 H new ATOM 0 HA SER A 3 -22.240 8.763 0.210 1.00 0.00 H new ATOM 0 HB2 SER A 3 -24.753 9.019 0.138 1.00 0.00 H new ATOM 0 HB3 SER A 3 -24.096 8.931 1.761 1.00 0.00 H new ATOM 0 HG SER A 3 -25.644 10.632 1.531 1.00 0.00 H new ATOM 30 N GLY A 4 -23.346 9.605 -2.053 1.00 0.00 N ATOM 31 CA GLY A 4 -23.490 10.008 -3.442 1.00 0.00 C ATOM 32 C GLY A 4 -22.231 9.791 -4.267 1.00 0.00 C ATOM 33 O GLY A 4 -22.201 8.869 -5.077 1.00 0.00 O ATOM 0 H GLY A 4 -23.761 8.694 -1.859 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -24.311 9.449 -3.892 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -23.763 11.062 -3.480 1.00 0.00 H new ATOM 37 N SER A 5 -21.209 10.633 -4.089 1.00 0.00 N ATOM 38 CA SER A 5 -19.946 10.540 -4.829 1.00 0.00 C ATOM 39 C SER A 5 -20.155 10.501 -6.357 1.00 0.00 C ATOM 40 O SER A 5 -19.386 9.850 -7.065 1.00 0.00 O ATOM 41 CB SER A 5 -19.158 9.309 -4.355 1.00 0.00 C ATOM 42 OG SER A 5 -19.013 9.266 -2.946 1.00 0.00 O ATOM 0 H SER A 5 -21.235 11.405 -3.422 1.00 0.00 H new ATOM 0 HA SER A 5 -19.373 11.443 -4.619 1.00 0.00 H new ATOM 0 HB2 SER A 5 -19.665 8.405 -4.692 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.171 9.313 -4.818 1.00 0.00 H new ATOM 0 HG SER A 5 -18.507 8.465 -2.693 1.00 0.00 H new ATOM 48 N SER A 6 -21.184 11.179 -6.878 1.00 0.00 N ATOM 49 CA SER A 6 -21.556 11.244 -8.293 1.00 0.00 C ATOM 50 C SER A 6 -22.133 9.922 -8.830 1.00 0.00 C ATOM 51 O SER A 6 -22.615 9.901 -9.963 1.00 0.00 O ATOM 52 CB SER A 6 -20.396 11.694 -9.193 1.00 0.00 C ATOM 53 OG SER A 6 -19.695 12.841 -8.737 1.00 0.00 O ATOM 0 H SER A 6 -21.813 11.726 -6.290 1.00 0.00 H new ATOM 0 HA SER A 6 -22.341 11.999 -8.332 1.00 0.00 H new ATOM 0 HB2 SER A 6 -19.690 10.869 -9.290 1.00 0.00 H new ATOM 0 HB3 SER A 6 -20.787 11.898 -10.190 1.00 0.00 H new ATOM 0 HG SER A 6 -18.975 13.056 -9.366 1.00 0.00 H new ATOM 59 N GLY A 7 -22.138 8.838 -8.049 1.00 0.00 N ATOM 60 CA GLY A 7 -22.647 7.533 -8.432 1.00 0.00 C ATOM 61 C GLY A 7 -23.276 6.907 -7.204 1.00 0.00 C ATOM 62 O GLY A 7 -24.467 7.106 -6.956 1.00 0.00 O ATOM 0 H GLY A 7 -21.772 8.854 -7.097 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -23.381 7.628 -9.232 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -21.842 6.905 -8.812 1.00 0.00 H new ATOM 66 N GLU A 8 -22.491 6.148 -6.453 1.00 0.00 N ATOM 67 CA GLU A 8 -22.870 5.471 -5.224 1.00 0.00 C ATOM 68 C GLU A 8 -21.604 5.297 -4.377 1.00 0.00 C ATOM 69 O GLU A 8 -20.493 5.542 -4.864 1.00 0.00 O ATOM 70 CB GLU A 8 -23.554 4.124 -5.534 1.00 0.00 C ATOM 71 CG GLU A 8 -22.640 2.994 -6.034 1.00 0.00 C ATOM 72 CD GLU A 8 -22.032 3.260 -7.412 1.00 0.00 C ATOM 73 OE1 GLU A 8 -20.911 3.820 -7.503 1.00 0.00 O ATOM 74 OE2 GLU A 8 -22.606 2.810 -8.427 1.00 0.00 O ATOM 0 H GLU A 8 -21.516 5.979 -6.701 1.00 0.00 H new ATOM 0 HA GLU A 8 -23.597 6.060 -4.665 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -24.059 3.781 -4.631 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -24.326 4.297 -6.284 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -21.835 2.844 -5.314 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -23.211 2.066 -6.071 1.00 0.00 H new ATOM 81 N SER A 9 -21.739 4.825 -3.139 1.00 0.00 N ATOM 82 CA SER A 9 -20.612 4.603 -2.239 1.00 0.00 C ATOM 83 C SER A 9 -20.494 3.099 -1.987 1.00 0.00 C ATOM 84 O SER A 9 -21.061 2.560 -1.040 1.00 0.00 O ATOM 85 CB SER A 9 -20.756 5.448 -0.968 1.00 0.00 C ATOM 86 OG SER A 9 -21.018 6.807 -1.306 1.00 0.00 O ATOM 0 H SER A 9 -22.642 4.584 -2.730 1.00 0.00 H new ATOM 0 HA SER A 9 -19.675 4.935 -2.687 1.00 0.00 H new ATOM 0 HB2 SER A 9 -21.566 5.056 -0.352 1.00 0.00 H new ATOM 0 HB3 SER A 9 -19.844 5.383 -0.374 1.00 0.00 H new ATOM 0 HG SER A 9 -20.652 7.393 -0.611 1.00 0.00 H new ATOM 92 N GLU A 10 -19.879 2.397 -2.935 1.00 0.00 N ATOM 93 CA GLU A 10 -19.619 0.961 -2.921 1.00 0.00 C ATOM 94 C GLU A 10 -18.149 0.758 -2.527 1.00 0.00 C ATOM 95 O GLU A 10 -17.821 -0.101 -1.708 1.00 0.00 O ATOM 96 CB GLU A 10 -19.943 0.402 -4.319 1.00 0.00 C ATOM 97 CG GLU A 10 -19.650 -1.096 -4.491 1.00 0.00 C ATOM 98 CD GLU A 10 -20.334 -1.970 -3.439 1.00 0.00 C ATOM 99 OE1 GLU A 10 -21.498 -1.708 -3.066 1.00 0.00 O ATOM 100 OE2 GLU A 10 -19.700 -2.935 -2.956 1.00 0.00 O ATOM 0 H GLU A 10 -19.528 2.842 -3.783 1.00 0.00 H new ATOM 0 HA GLU A 10 -20.239 0.428 -2.200 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -20.997 0.580 -4.532 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -19.370 0.959 -5.061 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -19.975 -1.411 -5.483 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -18.573 -1.257 -4.442 1.00 0.00 H new ATOM 107 N GLU A 11 -17.276 1.624 -3.047 1.00 0.00 N ATOM 108 CA GLU A 11 -15.834 1.642 -2.832 1.00 0.00 C ATOM 109 C GLU A 11 -15.456 1.992 -1.385 1.00 0.00 C ATOM 110 O GLU A 11 -14.276 2.000 -1.031 1.00 0.00 O ATOM 111 CB GLU A 11 -15.223 2.679 -3.791 1.00 0.00 C ATOM 112 CG GLU A 11 -15.382 2.333 -5.281 1.00 0.00 C ATOM 113 CD GLU A 11 -14.522 1.156 -5.747 1.00 0.00 C ATOM 114 OE1 GLU A 11 -13.818 0.536 -4.926 1.00 0.00 O ATOM 115 OE2 GLU A 11 -14.512 0.917 -6.982 1.00 0.00 O ATOM 0 H GLU A 11 -17.579 2.375 -3.666 1.00 0.00 H new ATOM 0 HA GLU A 11 -15.445 0.642 -3.025 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -15.686 3.648 -3.603 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -14.162 2.784 -3.566 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -16.429 2.104 -5.480 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -15.129 3.211 -5.875 1.00 0.00 H new ATOM 122 N GLU A 12 -16.418 2.343 -0.533 1.00 0.00 N ATOM 123 CA GLU A 12 -16.183 2.697 0.865 1.00 0.00 C ATOM 124 C GLU A 12 -15.670 1.489 1.671 1.00 0.00 C ATOM 125 O GLU A 12 -15.015 1.668 2.702 1.00 0.00 O ATOM 126 CB GLU A 12 -17.487 3.284 1.436 1.00 0.00 C ATOM 127 CG GLU A 12 -17.364 3.879 2.850 1.00 0.00 C ATOM 128 CD GLU A 12 -16.417 5.081 2.974 1.00 0.00 C ATOM 129 OE1 GLU A 12 -15.845 5.579 1.975 1.00 0.00 O ATOM 130 OE2 GLU A 12 -16.253 5.579 4.112 1.00 0.00 O ATOM 0 H GLU A 12 -17.401 2.390 -0.801 1.00 0.00 H new ATOM 0 HA GLU A 12 -15.397 3.449 0.938 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -17.845 4.061 0.760 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -18.245 2.501 1.452 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -18.355 4.182 3.187 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -17.022 3.096 3.528 1.00 0.00 H new ATOM 137 N ASP A 13 -15.878 0.271 1.160 1.00 0.00 N ATOM 138 CA ASP A 13 -15.470 -0.981 1.797 1.00 0.00 C ATOM 139 C ASP A 13 -14.615 -1.869 0.892 1.00 0.00 C ATOM 140 O ASP A 13 -14.335 -3.017 1.235 1.00 0.00 O ATOM 141 CB ASP A 13 -16.714 -1.711 2.341 1.00 0.00 C ATOM 142 CG ASP A 13 -17.219 -1.106 3.650 1.00 0.00 C ATOM 143 OD1 ASP A 13 -16.393 -0.736 4.518 1.00 0.00 O ATOM 144 OD2 ASP A 13 -18.446 -1.054 3.852 1.00 0.00 O ATOM 0 H ASP A 13 -16.348 0.127 0.266 1.00 0.00 H new ATOM 0 HA ASP A 13 -14.816 -0.735 2.634 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -17.509 -1.673 1.596 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -16.475 -2.763 2.499 1.00 0.00 H new ATOM 149 N LYS A 14 -14.160 -1.352 -0.254 1.00 0.00 N ATOM 150 CA LYS A 14 -13.351 -2.108 -1.217 1.00 0.00 C ATOM 151 C LYS A 14 -12.002 -1.437 -1.473 1.00 0.00 C ATOM 152 O LYS A 14 -11.689 -0.398 -0.878 1.00 0.00 O ATOM 153 CB LYS A 14 -14.181 -2.358 -2.492 1.00 0.00 C ATOM 154 CG LYS A 14 -15.408 -3.236 -2.181 1.00 0.00 C ATOM 155 CD LYS A 14 -16.378 -3.389 -3.357 1.00 0.00 C ATOM 156 CE LYS A 14 -15.774 -4.127 -4.550 1.00 0.00 C ATOM 157 NZ LYS A 14 -15.484 -5.541 -4.254 1.00 0.00 N ATOM 0 H LYS A 14 -14.344 -0.391 -0.542 1.00 0.00 H new ATOM 0 HA LYS A 14 -13.096 -3.083 -0.801 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -14.506 -1.406 -2.912 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -13.561 -2.844 -3.245 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -15.066 -4.224 -1.874 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -15.944 -2.807 -1.334 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -17.265 -3.925 -3.019 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -16.706 -2.401 -3.679 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -16.462 -4.070 -5.394 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -14.854 -3.627 -4.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -15.156 -6.016 -5.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -14.744 -5.598 -3.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -16.347 -6.007 -3.909 1.00 0.00 H new ATOM 171 N CYS A 15 -11.184 -2.054 -2.327 1.00 0.00 N ATOM 172 CA CYS A 15 -9.852 -1.614 -2.717 1.00 0.00 C ATOM 173 C CYS A 15 -9.819 -1.623 -4.244 1.00 0.00 C ATOM 174 O CYS A 15 -9.735 -2.694 -4.849 1.00 0.00 O ATOM 175 CB CYS A 15 -8.790 -2.564 -2.143 1.00 0.00 C ATOM 176 SG CYS A 15 -9.052 -2.973 -0.391 1.00 0.00 S ATOM 0 H CYS A 15 -11.453 -2.923 -2.789 1.00 0.00 H new ATOM 0 HA CYS A 15 -9.635 -0.618 -2.332 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -8.785 -3.485 -2.726 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -7.806 -2.109 -2.258 1.00 0.00 H new ATOM 0 HG CYS A 15 -8.115 -3.779 0.011 1.00 0.00 H new ATOM 182 N LYS A 16 -9.902 -0.442 -4.851 1.00 0.00 N ATOM 183 CA LYS A 16 -9.918 -0.240 -6.296 1.00 0.00 C ATOM 184 C LYS A 16 -8.710 -0.805 -7.045 1.00 0.00 C ATOM 185 O LYS A 16 -7.650 -1.033 -6.448 1.00 0.00 O ATOM 186 CB LYS A 16 -9.966 1.274 -6.578 1.00 0.00 C ATOM 187 CG LYS A 16 -11.378 1.843 -6.481 1.00 0.00 C ATOM 188 CD LYS A 16 -11.483 3.227 -7.127 1.00 0.00 C ATOM 189 CE LYS A 16 -11.642 3.151 -8.652 1.00 0.00 C ATOM 190 NZ LYS A 16 -10.586 3.894 -9.365 1.00 0.00 N ATOM 0 H LYS A 16 -9.962 0.433 -4.330 1.00 0.00 H new ATOM 0 HA LYS A 16 -10.793 -0.780 -6.657 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.320 1.793 -5.870 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -9.568 1.467 -7.574 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -12.078 1.162 -6.966 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -11.672 1.908 -5.433 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -12.334 3.760 -6.702 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -10.592 3.806 -6.886 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -11.623 2.107 -8.965 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -12.617 3.550 -8.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -10.737 3.813 -10.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -10.619 4.896 -9.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -9.656 3.498 -9.119 1.00 0.00 H new ATOM 204 N PRO A 17 -8.836 -0.962 -8.377 1.00 0.00 N ATOM 205 CA PRO A 17 -7.749 -1.429 -9.226 1.00 0.00 C ATOM 206 C PRO A 17 -6.652 -0.354 -9.246 1.00 0.00 C ATOM 207 O PRO A 17 -6.872 0.786 -8.835 1.00 0.00 O ATOM 208 CB PRO A 17 -8.372 -1.614 -10.613 1.00 0.00 C ATOM 209 CG PRO A 17 -9.541 -0.632 -10.609 1.00 0.00 C ATOM 210 CD PRO A 17 -10.036 -0.740 -9.177 1.00 0.00 C ATOM 0 HA PRO A 17 -7.296 -2.358 -8.880 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -7.660 -1.388 -11.407 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -8.709 -2.639 -10.769 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -9.224 0.381 -10.856 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -10.310 -0.910 -11.329 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -10.553 0.169 -8.869 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -10.743 -1.562 -9.065 1.00 0.00 H new ATOM 218 N MET A 18 -5.466 -0.703 -9.744 1.00 0.00 N ATOM 219 CA MET A 18 -4.329 0.207 -9.816 1.00 0.00 C ATOM 220 C MET A 18 -3.734 0.075 -11.200 1.00 0.00 C ATOM 221 O MET A 18 -3.306 -1.013 -11.599 1.00 0.00 O ATOM 222 CB MET A 18 -3.309 -0.126 -8.728 1.00 0.00 C ATOM 223 CG MET A 18 -3.850 0.214 -7.333 1.00 0.00 C ATOM 224 SD MET A 18 -4.015 1.986 -7.000 1.00 0.00 S ATOM 225 CE MET A 18 -2.802 2.181 -5.667 1.00 0.00 C ATOM 0 H MET A 18 -5.268 -1.634 -10.111 1.00 0.00 H new ATOM 0 HA MET A 18 -4.641 1.237 -9.645 1.00 0.00 H new ATOM 0 HB2 MET A 18 -3.058 -1.186 -8.774 1.00 0.00 H new ATOM 0 HB3 MET A 18 -2.388 0.428 -8.908 1.00 0.00 H new ATOM 0 HG2 MET A 18 -4.825 -0.258 -7.211 1.00 0.00 H new ATOM 0 HG3 MET A 18 -3.189 -0.223 -6.585 1.00 0.00 H new ATOM 0 HE1 MET A 18 -2.830 3.206 -5.297 1.00 0.00 H new ATOM 0 HE2 MET A 18 -3.041 1.495 -4.854 1.00 0.00 H new ATOM 0 HE3 MET A 18 -1.805 1.959 -6.047 1.00 0.00 H new ATOM 235 N SER A 19 -3.766 1.175 -11.938 1.00 0.00 N ATOM 236 CA SER A 19 -3.270 1.284 -13.298 1.00 0.00 C ATOM 237 C SER A 19 -1.743 1.165 -13.330 1.00 0.00 C ATOM 238 O SER A 19 -1.081 1.262 -12.293 1.00 0.00 O ATOM 239 CB SER A 19 -3.727 2.642 -13.856 1.00 0.00 C ATOM 240 OG SER A 19 -5.083 2.889 -13.523 1.00 0.00 O ATOM 0 H SER A 19 -4.155 2.051 -11.589 1.00 0.00 H new ATOM 0 HA SER A 19 -3.667 0.475 -13.911 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.098 3.436 -13.454 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.605 2.656 -14.939 1.00 0.00 H new ATOM 0 HG SER A 19 -5.356 3.758 -13.885 1.00 0.00 H new ATOM 246 N TYR A 20 -1.165 0.984 -14.521 1.00 0.00 N ATOM 247 CA TYR A 20 0.290 0.896 -14.669 1.00 0.00 C ATOM 248 C TYR A 20 0.902 2.209 -14.151 1.00 0.00 C ATOM 249 O TYR A 20 1.923 2.210 -13.465 1.00 0.00 O ATOM 250 CB TYR A 20 0.644 0.637 -16.144 1.00 0.00 C ATOM 251 CG TYR A 20 2.064 1.022 -16.519 1.00 0.00 C ATOM 252 CD1 TYR A 20 3.140 0.131 -16.327 1.00 0.00 C ATOM 253 CD2 TYR A 20 2.312 2.313 -17.019 1.00 0.00 C ATOM 254 CE1 TYR A 20 4.456 0.534 -16.627 1.00 0.00 C ATOM 255 CE2 TYR A 20 3.626 2.735 -17.265 1.00 0.00 C ATOM 256 CZ TYR A 20 4.706 1.854 -17.072 1.00 0.00 C ATOM 257 OH TYR A 20 5.973 2.314 -17.259 1.00 0.00 O ATOM 0 H TYR A 20 -1.682 0.896 -15.396 1.00 0.00 H new ATOM 0 HA TYR A 20 0.696 0.067 -14.090 1.00 0.00 H new ATOM 0 HB2 TYR A 20 0.497 -0.421 -16.361 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -0.050 1.192 -16.776 1.00 0.00 H new ATOM 0 HD1 TYR A 20 2.955 -0.863 -15.949 1.00 0.00 H new ATOM 0 HD2 TYR A 20 1.487 2.982 -17.214 1.00 0.00 H new ATOM 0 HE1 TYR A 20 5.273 -0.164 -16.518 1.00 0.00 H new ATOM 0 HE2 TYR A 20 3.811 3.743 -17.605 1.00 0.00 H new ATOM 0 HH TYR A 20 5.941 3.244 -17.568 1.00 0.00 H new ATOM 267 N GLU A 21 0.235 3.328 -14.443 1.00 0.00 N ATOM 268 CA GLU A 21 0.640 4.664 -14.038 1.00 0.00 C ATOM 269 C GLU A 21 0.641 4.793 -12.508 1.00 0.00 C ATOM 270 O GLU A 21 1.521 5.471 -11.976 1.00 0.00 O ATOM 271 CB GLU A 21 -0.310 5.683 -14.696 1.00 0.00 C ATOM 272 CG GLU A 21 -0.069 5.796 -16.213 1.00 0.00 C ATOM 273 CD GLU A 21 -1.310 6.279 -16.961 1.00 0.00 C ATOM 274 OE1 GLU A 21 -2.143 5.422 -17.335 1.00 0.00 O ATOM 275 OE2 GLU A 21 -1.479 7.500 -17.173 1.00 0.00 O ATOM 0 H GLU A 21 -0.629 3.322 -14.985 1.00 0.00 H new ATOM 0 HA GLU A 21 1.659 4.862 -14.369 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.343 5.387 -14.514 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.172 6.660 -14.233 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.755 6.485 -16.398 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.234 4.825 -16.604 1.00 0.00 H new ATOM 282 N GLU A 22 -0.295 4.137 -11.805 1.00 0.00 N ATOM 283 CA GLU A 22 -0.391 4.192 -10.343 1.00 0.00 C ATOM 284 C GLU A 22 0.792 3.444 -9.747 1.00 0.00 C ATOM 285 O GLU A 22 1.467 3.917 -8.834 1.00 0.00 O ATOM 286 CB GLU A 22 -1.691 3.533 -9.833 1.00 0.00 C ATOM 287 CG GLU A 22 -2.983 4.188 -10.320 1.00 0.00 C ATOM 288 CD GLU A 22 -3.033 5.691 -10.053 1.00 0.00 C ATOM 289 OE1 GLU A 22 -2.738 6.130 -8.922 1.00 0.00 O ATOM 290 OE2 GLU A 22 -3.386 6.421 -11.009 1.00 0.00 O ATOM 0 H GLU A 22 -1.009 3.552 -12.239 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.392 5.239 -10.042 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.694 2.487 -10.139 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.683 3.546 -8.743 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.091 4.012 -11.390 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.832 3.710 -9.831 1.00 0.00 H new ATOM 297 N LYS A 23 1.049 2.241 -10.258 1.00 0.00 N ATOM 298 CA LYS A 23 2.144 1.388 -9.811 1.00 0.00 C ATOM 299 C LYS A 23 3.463 2.129 -9.952 1.00 0.00 C ATOM 300 O LYS A 23 4.269 2.147 -9.025 1.00 0.00 O ATOM 301 CB LYS A 23 2.140 0.117 -10.655 1.00 0.00 C ATOM 302 CG LYS A 23 0.962 -0.764 -10.245 1.00 0.00 C ATOM 303 CD LYS A 23 0.718 -1.825 -11.305 1.00 0.00 C ATOM 304 CE LYS A 23 -0.293 -2.852 -10.789 1.00 0.00 C ATOM 305 NZ LYS A 23 -0.067 -4.176 -11.395 1.00 0.00 N ATOM 0 H LYS A 23 0.492 1.827 -11.006 1.00 0.00 H new ATOM 0 HA LYS A 23 2.018 1.124 -8.761 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.067 0.370 -11.713 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.077 -0.424 -10.521 1.00 0.00 H new ATOM 0 HG2 LYS A 23 1.167 -1.237 -9.285 1.00 0.00 H new ATOM 0 HG3 LYS A 23 0.068 -0.154 -10.116 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.345 -1.361 -12.218 1.00 0.00 H new ATOM 0 HD3 LYS A 23 1.655 -2.320 -11.559 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.216 -2.928 -9.704 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.305 -2.514 -11.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -0.885 -4.789 -11.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 0.055 -4.071 -12.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 0.789 -4.603 -10.987 1.00 0.00 H new ATOM 319 N ARG A 24 3.687 2.737 -11.119 1.00 0.00 N ATOM 320 CA ARG A 24 4.906 3.486 -11.362 1.00 0.00 C ATOM 321 C ARG A 24 4.982 4.663 -10.401 1.00 0.00 C ATOM 322 O ARG A 24 6.043 4.844 -9.814 1.00 0.00 O ATOM 323 CB ARG A 24 4.989 3.921 -12.826 1.00 0.00 C ATOM 324 CG ARG A 24 5.299 2.760 -13.787 1.00 0.00 C ATOM 325 CD ARG A 24 6.695 2.139 -13.599 1.00 0.00 C ATOM 326 NE ARG A 24 6.915 1.000 -14.506 1.00 0.00 N ATOM 327 CZ ARG A 24 8.103 0.470 -14.837 1.00 0.00 C ATOM 328 NH1 ARG A 24 9.239 0.990 -14.388 1.00 0.00 N ATOM 329 NH2 ARG A 24 8.174 -0.595 -15.628 1.00 0.00 N ATOM 0 H ARG A 24 3.037 2.721 -11.905 1.00 0.00 H new ATOM 0 HA ARG A 24 5.771 2.849 -11.176 1.00 0.00 H new ATOM 0 HB2 ARG A 24 4.044 4.381 -13.116 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.760 4.684 -12.928 1.00 0.00 H new ATOM 0 HG2 ARG A 24 4.547 1.982 -13.653 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.208 3.118 -14.812 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.457 2.898 -13.777 1.00 0.00 H new ATOM 0 HD3 ARG A 24 6.810 1.809 -12.567 1.00 0.00 H new ATOM 0 HE ARG A 24 6.087 0.574 -14.922 1.00 0.00 H new ATOM 0 HH11 ARG A 24 9.220 1.808 -13.779 1.00 0.00 H new ATOM 0 HH12 ARG A 24 10.131 0.571 -14.652 1.00 0.00 H new ATOM 0 HH21 ARG A 24 7.320 -1.019 -15.991 1.00 0.00 H new ATOM 0 HH22 ARG A 24 9.083 -0.989 -15.873 1.00 0.00 H new ATOM 343 N GLN A 25 3.907 5.435 -10.222 1.00 0.00 N ATOM 344 CA GLN A 25 3.882 6.575 -9.305 1.00 0.00 C ATOM 345 C GLN A 25 4.300 6.135 -7.898 1.00 0.00 C ATOM 346 O GLN A 25 5.064 6.842 -7.248 1.00 0.00 O ATOM 347 CB GLN A 25 2.487 7.219 -9.318 1.00 0.00 C ATOM 348 CG GLN A 25 2.367 8.416 -8.367 1.00 0.00 C ATOM 349 CD GLN A 25 3.296 9.570 -8.742 1.00 0.00 C ATOM 350 OE1 GLN A 25 3.119 10.194 -9.787 1.00 0.00 O ATOM 351 NE2 GLN A 25 4.261 9.912 -7.907 1.00 0.00 N ATOM 0 H GLN A 25 3.025 5.285 -10.712 1.00 0.00 H new ATOM 0 HA GLN A 25 4.600 7.327 -9.634 1.00 0.00 H new ATOM 0 HB2 GLN A 25 2.253 7.543 -10.332 1.00 0.00 H new ATOM 0 HB3 GLN A 25 1.745 6.469 -9.044 1.00 0.00 H new ATOM 0 HG2 GLN A 25 1.337 8.771 -8.367 1.00 0.00 H new ATOM 0 HG3 GLN A 25 2.592 8.091 -7.351 1.00 0.00 H new ATOM 0 HE21 GLN A 25 4.398 9.387 -7.043 1.00 0.00 H new ATOM 0 HE22 GLN A 25 4.869 10.701 -8.126 1.00 0.00 H new ATOM 360 N LEU A 26 3.851 4.961 -7.440 1.00 0.00 N ATOM 361 CA LEU A 26 4.201 4.432 -6.121 1.00 0.00 C ATOM 362 C LEU A 26 5.721 4.309 -5.998 1.00 0.00 C ATOM 363 O LEU A 26 6.289 4.558 -4.938 1.00 0.00 O ATOM 364 CB LEU A 26 3.549 3.050 -5.917 1.00 0.00 C ATOM 365 CG LEU A 26 2.884 2.839 -4.548 1.00 0.00 C ATOM 366 CD1 LEU A 26 3.831 2.987 -3.357 1.00 0.00 C ATOM 367 CD2 LEU A 26 1.691 3.770 -4.341 1.00 0.00 C ATOM 0 H LEU A 26 3.234 4.351 -7.976 1.00 0.00 H new ATOM 0 HA LEU A 26 3.833 5.116 -5.356 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.800 2.901 -6.694 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.310 2.282 -6.056 1.00 0.00 H new ATOM 0 HG LEU A 26 2.551 1.802 -4.577 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.280 2.822 -2.431 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.633 2.254 -3.437 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.256 3.991 -3.353 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.252 3.586 -3.360 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.023 4.806 -4.401 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.945 3.583 -5.113 1.00 0.00 H new ATOM 379 N SER A 27 6.374 3.899 -7.086 1.00 0.00 N ATOM 380 CA SER A 27 7.810 3.742 -7.143 1.00 0.00 C ATOM 381 C SER A 27 8.498 5.087 -6.931 1.00 0.00 C ATOM 382 O SER A 27 9.460 5.145 -6.168 1.00 0.00 O ATOM 383 CB SER A 27 8.227 3.158 -8.493 1.00 0.00 C ATOM 384 OG SER A 27 9.441 2.462 -8.327 1.00 0.00 O ATOM 0 H SER A 27 5.904 3.666 -7.961 1.00 0.00 H new ATOM 0 HA SER A 27 8.113 3.058 -6.350 1.00 0.00 H new ATOM 0 HB2 SER A 27 7.455 2.487 -8.869 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.345 3.953 -9.229 1.00 0.00 H new ATOM 0 HG SER A 27 9.719 2.081 -9.186 1.00 0.00 H new ATOM 390 N LEU A 28 8.051 6.158 -7.604 1.00 0.00 N ATOM 391 CA LEU A 28 8.656 7.477 -7.470 1.00 0.00 C ATOM 392 C LEU A 28 8.720 7.848 -5.997 1.00 0.00 C ATOM 393 O LEU A 28 9.814 8.067 -5.486 1.00 0.00 O ATOM 394 CB LEU A 28 7.875 8.541 -8.260 1.00 0.00 C ATOM 395 CG LEU A 28 8.122 8.599 -9.773 1.00 0.00 C ATOM 396 CD1 LEU A 28 9.572 8.940 -10.123 1.00 0.00 C ATOM 397 CD2 LEU A 28 7.690 7.353 -10.539 1.00 0.00 C ATOM 0 H LEU A 28 7.264 6.127 -8.252 1.00 0.00 H new ATOM 0 HA LEU A 28 9.663 7.442 -7.885 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.811 8.373 -8.096 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.112 9.518 -7.839 1.00 0.00 H new ATOM 0 HG LEU A 28 7.474 9.412 -10.101 1.00 0.00 H new ATOM 0 HD11 LEU A 28 9.688 8.967 -11.206 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.827 9.914 -9.706 1.00 0.00 H new ATOM 0 HD13 LEU A 28 10.235 8.182 -9.706 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.903 7.486 -11.600 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.237 6.488 -10.164 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.621 7.194 -10.401 1.00 0.00 H new ATOM 409 N ASP A 29 7.574 7.826 -5.319 1.00 0.00 N ATOM 410 CA ASP A 29 7.441 8.157 -3.905 1.00 0.00 C ATOM 411 C ASP A 29 8.354 7.284 -3.046 1.00 0.00 C ATOM 412 O ASP A 29 9.027 7.795 -2.151 1.00 0.00 O ATOM 413 CB ASP A 29 5.991 7.952 -3.451 1.00 0.00 C ATOM 414 CG ASP A 29 5.011 9.011 -3.947 1.00 0.00 C ATOM 415 OD1 ASP A 29 4.992 9.326 -5.158 1.00 0.00 O ATOM 416 OD2 ASP A 29 4.173 9.452 -3.127 1.00 0.00 O ATOM 0 H ASP A 29 6.687 7.570 -5.753 1.00 0.00 H new ATOM 0 HA ASP A 29 7.729 9.201 -3.780 1.00 0.00 H new ATOM 0 HB2 ASP A 29 5.652 6.974 -3.794 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.965 7.934 -2.361 1.00 0.00 H new ATOM 421 N ILE A 30 8.391 5.971 -3.305 1.00 0.00 N ATOM 422 CA ILE A 30 9.228 5.024 -2.572 1.00 0.00 C ATOM 423 C ILE A 30 10.686 5.476 -2.667 1.00 0.00 C ATOM 424 O ILE A 30 11.378 5.553 -1.655 1.00 0.00 O ATOM 425 CB ILE A 30 8.987 3.580 -3.099 1.00 0.00 C ATOM 426 CG1 ILE A 30 7.764 2.994 -2.361 1.00 0.00 C ATOM 427 CG2 ILE A 30 10.208 2.645 -2.973 1.00 0.00 C ATOM 428 CD1 ILE A 30 7.322 1.608 -2.839 1.00 0.00 C ATOM 0 H ILE A 30 7.832 5.535 -4.039 1.00 0.00 H new ATOM 0 HA ILE A 30 8.964 5.006 -1.515 1.00 0.00 H new ATOM 0 HB ILE A 30 8.803 3.649 -4.171 1.00 0.00 H new ATOM 0 HG12 ILE A 30 7.993 2.939 -1.297 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.927 3.684 -2.471 1.00 0.00 H new ATOM 0 HG21 ILE A 30 9.953 1.660 -3.363 1.00 0.00 H new ATOM 0 HG22 ILE A 30 11.042 3.056 -3.542 1.00 0.00 H new ATOM 0 HG23 ILE A 30 10.493 2.558 -1.924 1.00 0.00 H new ATOM 0 HD11 ILE A 30 6.457 1.282 -2.261 1.00 0.00 H new ATOM 0 HD12 ILE A 30 7.056 1.655 -3.895 1.00 0.00 H new ATOM 0 HD13 ILE A 30 8.138 0.899 -2.702 1.00 0.00 H new ATOM 440 N ASN A 31 11.151 5.812 -3.872 1.00 0.00 N ATOM 441 CA ASN A 31 12.524 6.244 -4.117 1.00 0.00 C ATOM 442 C ASN A 31 12.870 7.586 -3.445 1.00 0.00 C ATOM 443 O ASN A 31 14.026 8.027 -3.507 1.00 0.00 O ATOM 444 CB ASN A 31 12.827 6.194 -5.622 1.00 0.00 C ATOM 445 CG ASN A 31 12.964 4.750 -6.112 1.00 0.00 C ATOM 446 OD1 ASN A 31 13.987 4.096 -5.921 1.00 0.00 O ATOM 447 ND2 ASN A 31 11.947 4.197 -6.738 1.00 0.00 N ATOM 0 H ASN A 31 10.576 5.791 -4.714 1.00 0.00 H new ATOM 0 HA ASN A 31 13.197 5.539 -3.629 1.00 0.00 H new ATOM 0 HB2 ASN A 31 12.030 6.694 -6.173 1.00 0.00 H new ATOM 0 HB3 ASN A 31 13.748 6.740 -5.829 1.00 0.00 H new ATOM 0 HD21 ASN A 31 12.011 3.232 -7.061 1.00 0.00 H new ATOM 0 HD22 ASN A 31 11.095 4.734 -6.900 1.00 0.00 H new ATOM 454 N LYS A 32 11.915 8.260 -2.793 1.00 0.00 N ATOM 455 CA LYS A 32 12.102 9.516 -2.066 1.00 0.00 C ATOM 456 C LYS A 32 12.152 9.241 -0.561 1.00 0.00 C ATOM 457 O LYS A 32 12.254 10.199 0.208 1.00 0.00 O ATOM 458 CB LYS A 32 10.961 10.510 -2.375 1.00 0.00 C ATOM 459 CG LYS A 32 10.810 10.828 -3.868 1.00 0.00 C ATOM 460 CD LYS A 32 11.966 11.658 -4.414 1.00 0.00 C ATOM 461 CE LYS A 32 11.717 13.135 -4.125 1.00 0.00 C ATOM 462 NZ LYS A 32 12.960 13.926 -4.090 1.00 0.00 N ATOM 0 H LYS A 32 10.951 7.929 -2.758 1.00 0.00 H new ATOM 0 HA LYS A 32 13.043 9.961 -2.389 1.00 0.00 H new ATOM 0 HB2 LYS A 32 10.022 10.099 -2.003 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.141 11.437 -1.831 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.741 9.896 -4.428 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.875 11.365 -4.028 1.00 0.00 H new ATOM 0 HD2 LYS A 32 12.903 11.340 -3.956 1.00 0.00 H new ATOM 0 HD3 LYS A 32 12.066 11.499 -5.488 1.00 0.00 H new ATOM 0 HE2 LYS A 32 11.053 13.543 -4.887 1.00 0.00 H new ATOM 0 HE3 LYS A 32 11.203 13.232 -3.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 12.733 14.921 -3.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 13.585 13.557 -3.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 13.440 13.859 -5.010 1.00 0.00 H new ATOM 476 N LEU A 33 12.039 7.990 -0.105 1.00 0.00 N ATOM 477 CA LEU A 33 12.071 7.665 1.315 1.00 0.00 C ATOM 478 C LEU A 33 13.470 7.239 1.763 1.00 0.00 C ATOM 479 O LEU A 33 14.245 6.684 0.977 1.00 0.00 O ATOM 480 CB LEU A 33 11.089 6.517 1.622 1.00 0.00 C ATOM 481 CG LEU A 33 9.601 6.881 1.472 1.00 0.00 C ATOM 482 CD1 LEU A 33 8.759 5.658 1.844 1.00 0.00 C ATOM 483 CD2 LEU A 33 9.178 8.053 2.372 1.00 0.00 C ATOM 0 H LEU A 33 11.923 7.179 -0.712 1.00 0.00 H new ATOM 0 HA LEU A 33 11.783 8.565 1.858 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.312 5.680 0.960 1.00 0.00 H new ATOM 0 HB3 LEU A 33 11.263 6.172 2.641 1.00 0.00 H new ATOM 0 HG LEU A 33 9.443 7.186 0.438 1.00 0.00 H new ATOM 0 HD11 LEU A 33 7.701 5.900 1.743 1.00 0.00 H new ATOM 0 HD12 LEU A 33 9.007 4.830 1.180 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.969 5.372 2.875 1.00 0.00 H new ATOM 0 HD21 LEU A 33 8.119 8.263 2.222 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.352 7.791 3.416 1.00 0.00 H new ATOM 0 HD23 LEU A 33 9.763 8.937 2.117 1.00 0.00 H new ATOM 495 N PRO A 34 13.805 7.467 3.041 1.00 0.00 N ATOM 496 CA PRO A 34 15.087 7.062 3.600 1.00 0.00 C ATOM 497 C PRO A 34 15.035 5.540 3.834 1.00 0.00 C ATOM 498 O PRO A 34 13.948 4.984 4.029 1.00 0.00 O ATOM 499 CB PRO A 34 15.163 7.825 4.922 1.00 0.00 C ATOM 500 CG PRO A 34 13.718 7.874 5.373 1.00 0.00 C ATOM 501 CD PRO A 34 12.992 8.123 4.059 1.00 0.00 C ATOM 0 HA PRO A 34 15.950 7.272 2.968 1.00 0.00 H new ATOM 0 HB2 PRO A 34 15.795 7.313 5.648 1.00 0.00 H new ATOM 0 HB3 PRO A 34 15.578 8.824 4.788 1.00 0.00 H new ATOM 0 HG2 PRO A 34 13.404 6.942 5.844 1.00 0.00 H new ATOM 0 HG3 PRO A 34 13.542 8.671 6.095 1.00 0.00 H new ATOM 0 HD2 PRO A 34 11.983 7.711 4.083 1.00 0.00 H new ATOM 0 HD3 PRO A 34 12.896 9.190 3.859 1.00 0.00 H new ATOM 509 N GLY A 35 16.182 4.858 3.885 1.00 0.00 N ATOM 510 CA GLY A 35 16.210 3.410 4.101 1.00 0.00 C ATOM 511 C GLY A 35 15.557 2.999 5.425 1.00 0.00 C ATOM 512 O GLY A 35 14.933 1.939 5.528 1.00 0.00 O ATOM 0 H GLY A 35 17.102 5.285 3.780 1.00 0.00 H new ATOM 0 HA2 GLY A 35 15.697 2.914 3.277 1.00 0.00 H new ATOM 0 HA3 GLY A 35 17.244 3.064 4.087 1.00 0.00 H new ATOM 516 N GLU A 36 15.619 3.872 6.431 1.00 0.00 N ATOM 517 CA GLU A 36 15.043 3.624 7.748 1.00 0.00 C ATOM 518 C GLU A 36 13.512 3.604 7.729 1.00 0.00 C ATOM 519 O GLU A 36 12.883 3.056 8.636 1.00 0.00 O ATOM 520 CB GLU A 36 15.610 4.611 8.762 1.00 0.00 C ATOM 521 CG GLU A 36 15.162 6.050 8.507 1.00 0.00 C ATOM 522 CD GLU A 36 16.088 7.031 9.210 1.00 0.00 C ATOM 523 OE1 GLU A 36 17.274 7.098 8.809 1.00 0.00 O ATOM 524 OE2 GLU A 36 15.633 7.693 10.169 1.00 0.00 O ATOM 0 H GLU A 36 16.076 4.780 6.351 1.00 0.00 H new ATOM 0 HA GLU A 36 15.334 2.621 8.060 1.00 0.00 H new ATOM 0 HB2 GLU A 36 15.302 4.312 9.764 1.00 0.00 H new ATOM 0 HB3 GLU A 36 16.699 4.565 8.737 1.00 0.00 H new ATOM 0 HG2 GLU A 36 15.157 6.251 7.436 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.141 6.187 8.862 1.00 0.00 H new ATOM 531 N LYS A 37 12.896 4.213 6.708 1.00 0.00 N ATOM 532 CA LYS A 37 11.440 4.213 6.568 1.00 0.00 C ATOM 533 C LYS A 37 11.068 3.171 5.514 1.00 0.00 C ATOM 534 O LYS A 37 10.043 2.506 5.651 1.00 0.00 O ATOM 535 CB LYS A 37 10.896 5.623 6.312 1.00 0.00 C ATOM 536 CG LYS A 37 11.273 6.550 7.487 1.00 0.00 C ATOM 537 CD LYS A 37 10.486 7.861 7.522 1.00 0.00 C ATOM 538 CE LYS A 37 9.113 7.653 8.176 1.00 0.00 C ATOM 539 NZ LYS A 37 9.206 7.352 9.625 1.00 0.00 N ATOM 0 H LYS A 37 13.387 4.712 5.967 1.00 0.00 H new ATOM 0 HA LYS A 37 10.954 3.922 7.499 1.00 0.00 H new ATOM 0 HB2 LYS A 37 11.304 6.017 5.381 1.00 0.00 H new ATOM 0 HB3 LYS A 37 9.813 5.589 6.196 1.00 0.00 H new ATOM 0 HG2 LYS A 37 11.112 6.016 8.424 1.00 0.00 H new ATOM 0 HG3 LYS A 37 12.337 6.778 7.429 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.048 8.613 8.076 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.358 8.241 6.508 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.509 8.549 8.034 1.00 0.00 H new ATOM 0 HE3 LYS A 37 8.596 6.836 7.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 8.293 7.552 10.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 9.446 6.349 9.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.945 7.944 10.056 1.00 0.00 H new ATOM 553 N LEU A 38 11.926 2.953 4.508 1.00 0.00 N ATOM 554 CA LEU A 38 11.701 1.965 3.458 1.00 0.00 C ATOM 555 C LEU A 38 11.506 0.584 4.087 1.00 0.00 C ATOM 556 O LEU A 38 10.647 -0.169 3.643 1.00 0.00 O ATOM 557 CB LEU A 38 12.883 1.953 2.476 1.00 0.00 C ATOM 558 CG LEU A 38 12.732 0.923 1.334 1.00 0.00 C ATOM 559 CD1 LEU A 38 11.506 1.216 0.463 1.00 0.00 C ATOM 560 CD2 LEU A 38 13.985 0.921 0.456 1.00 0.00 C ATOM 0 H LEU A 38 12.802 3.465 4.404 1.00 0.00 H new ATOM 0 HA LEU A 38 10.801 2.229 2.902 1.00 0.00 H new ATOM 0 HB2 LEU A 38 12.995 2.947 2.044 1.00 0.00 H new ATOM 0 HB3 LEU A 38 13.799 1.740 3.027 1.00 0.00 H new ATOM 0 HG LEU A 38 12.599 -0.056 1.795 1.00 0.00 H new ATOM 0 HD11 LEU A 38 11.435 0.470 -0.328 1.00 0.00 H new ATOM 0 HD12 LEU A 38 10.606 1.180 1.077 1.00 0.00 H new ATOM 0 HD13 LEU A 38 11.603 2.207 0.019 1.00 0.00 H new ATOM 0 HD21 LEU A 38 13.867 0.191 -0.345 1.00 0.00 H new ATOM 0 HD22 LEU A 38 14.129 1.912 0.026 1.00 0.00 H new ATOM 0 HD23 LEU A 38 14.853 0.658 1.061 1.00 0.00 H new ATOM 572 N GLY A 39 12.210 0.275 5.180 1.00 0.00 N ATOM 573 CA GLY A 39 12.086 -1.012 5.847 1.00 0.00 C ATOM 574 C GLY A 39 10.657 -1.348 6.282 1.00 0.00 C ATOM 575 O GLY A 39 10.361 -2.526 6.466 1.00 0.00 O ATOM 0 H GLY A 39 12.876 0.910 5.620 1.00 0.00 H new ATOM 0 HA2 GLY A 39 12.445 -1.794 5.178 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.734 -1.020 6.723 1.00 0.00 H new ATOM 579 N ARG A 40 9.746 -0.392 6.510 1.00 0.00 N ATOM 580 CA ARG A 40 8.372 -0.726 6.886 1.00 0.00 C ATOM 581 C ARG A 40 7.603 -1.244 5.675 1.00 0.00 C ATOM 582 O ARG A 40 6.692 -2.051 5.844 1.00 0.00 O ATOM 583 CB ARG A 40 7.670 0.541 7.416 1.00 0.00 C ATOM 584 CG ARG A 40 6.947 0.304 8.746 1.00 0.00 C ATOM 585 CD ARG A 40 7.649 0.992 9.923 1.00 0.00 C ATOM 586 NE ARG A 40 9.071 0.649 10.101 1.00 0.00 N ATOM 587 CZ ARG A 40 9.910 1.307 10.913 1.00 0.00 C ATOM 588 NH1 ARG A 40 9.434 2.185 11.789 1.00 0.00 N ATOM 589 NH2 ARG A 40 11.219 1.097 10.856 1.00 0.00 N ATOM 0 H ARG A 40 9.936 0.608 6.441 1.00 0.00 H new ATOM 0 HA ARG A 40 8.394 -1.498 7.655 1.00 0.00 H new ATOM 0 HB2 ARG A 40 8.408 1.333 7.544 1.00 0.00 H new ATOM 0 HB3 ARG A 40 6.952 0.891 6.674 1.00 0.00 H new ATOM 0 HG2 ARG A 40 5.924 0.672 8.671 1.00 0.00 H new ATOM 0 HG3 ARG A 40 6.887 -0.767 8.938 1.00 0.00 H new ATOM 0 HD2 ARG A 40 7.567 2.071 9.792 1.00 0.00 H new ATOM 0 HD3 ARG A 40 7.115 0.741 10.839 1.00 0.00 H new ATOM 0 HE ARG A 40 9.441 -0.141 9.572 1.00 0.00 H new ATOM 0 HH11 ARG A 40 8.430 2.358 11.843 1.00 0.00 H new ATOM 0 HH12 ARG A 40 10.072 2.686 12.407 1.00 0.00 H new ATOM 0 HH21 ARG A 40 11.599 0.427 10.188 1.00 0.00 H new ATOM 0 HH22 ARG A 40 11.845 1.606 11.481 1.00 0.00 H new ATOM 603 N VAL A 41 7.957 -0.809 4.465 1.00 0.00 N ATOM 604 CA VAL A 41 7.308 -1.198 3.221 1.00 0.00 C ATOM 605 C VAL A 41 7.277 -2.723 3.094 1.00 0.00 C ATOM 606 O VAL A 41 6.208 -3.274 2.834 1.00 0.00 O ATOM 607 CB VAL A 41 7.984 -0.476 2.030 1.00 0.00 C ATOM 608 CG1 VAL A 41 7.293 -0.747 0.692 1.00 0.00 C ATOM 609 CG2 VAL A 41 7.981 1.052 2.250 1.00 0.00 C ATOM 0 H VAL A 41 8.728 -0.156 4.324 1.00 0.00 H new ATOM 0 HA VAL A 41 6.265 -0.880 3.218 1.00 0.00 H new ATOM 0 HB VAL A 41 8.999 -0.871 1.987 1.00 0.00 H new ATOM 0 HG11 VAL A 41 7.815 -0.213 -0.102 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.312 -1.817 0.483 1.00 0.00 H new ATOM 0 HG13 VAL A 41 6.259 -0.405 0.741 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.460 1.543 1.403 1.00 0.00 H new ATOM 0 HG22 VAL A 41 6.954 1.405 2.340 1.00 0.00 H new ATOM 0 HG23 VAL A 41 8.527 1.289 3.163 1.00 0.00 H new ATOM 619 N VAL A 42 8.389 -3.420 3.364 1.00 0.00 N ATOM 620 CA VAL A 42 8.440 -4.880 3.258 1.00 0.00 C ATOM 621 C VAL A 42 7.383 -5.536 4.160 1.00 0.00 C ATOM 622 O VAL A 42 6.796 -6.558 3.796 1.00 0.00 O ATOM 623 CB VAL A 42 9.885 -5.369 3.523 1.00 0.00 C ATOM 624 CG1 VAL A 42 10.233 -5.513 5.010 1.00 0.00 C ATOM 625 CG2 VAL A 42 10.175 -6.706 2.833 1.00 0.00 C ATOM 0 H VAL A 42 9.267 -2.992 3.658 1.00 0.00 H new ATOM 0 HA VAL A 42 8.183 -5.190 2.245 1.00 0.00 H new ATOM 0 HB VAL A 42 10.511 -4.582 3.102 1.00 0.00 H new ATOM 0 HG11 VAL A 42 11.262 -5.859 5.111 1.00 0.00 H new ATOM 0 HG12 VAL A 42 10.125 -4.547 5.504 1.00 0.00 H new ATOM 0 HG13 VAL A 42 9.560 -6.235 5.473 1.00 0.00 H new ATOM 0 HG21 VAL A 42 11.200 -7.011 3.046 1.00 0.00 H new ATOM 0 HG22 VAL A 42 9.486 -7.464 3.205 1.00 0.00 H new ATOM 0 HG23 VAL A 42 10.046 -6.595 1.756 1.00 0.00 H new ATOM 635 N HIS A 43 7.103 -4.955 5.331 1.00 0.00 N ATOM 636 CA HIS A 43 6.121 -5.505 6.246 1.00 0.00 C ATOM 637 C HIS A 43 4.702 -5.322 5.717 1.00 0.00 C ATOM 638 O HIS A 43 3.862 -6.194 5.953 1.00 0.00 O ATOM 639 CB HIS A 43 6.299 -4.945 7.650 1.00 0.00 C ATOM 640 CG HIS A 43 7.528 -5.517 8.304 1.00 0.00 C ATOM 641 ND1 HIS A 43 7.680 -6.804 8.777 1.00 0.00 N ATOM 642 CD2 HIS A 43 8.691 -4.844 8.541 1.00 0.00 C ATOM 643 CE1 HIS A 43 8.891 -6.881 9.348 1.00 0.00 C ATOM 644 NE2 HIS A 43 9.525 -5.696 9.273 1.00 0.00 N ATOM 0 H HIS A 43 7.550 -4.100 5.661 1.00 0.00 H new ATOM 0 HA HIS A 43 6.290 -6.580 6.314 1.00 0.00 H new ATOM 0 HB2 HIS A 43 6.378 -3.859 7.605 1.00 0.00 H new ATOM 0 HB3 HIS A 43 5.420 -5.176 8.252 1.00 0.00 H new ATOM 0 HD2 HIS A 43 8.925 -3.839 8.222 1.00 0.00 H new ATOM 0 HE1 HIS A 43 9.301 -7.770 9.804 1.00 0.00 H new ATOM 0 HE2 HIS A 43 10.435 -5.465 9.672 1.00 0.00 H new ATOM 652 N ILE A 44 4.428 -4.233 4.991 1.00 0.00 N ATOM 653 CA ILE A 44 3.105 -3.987 4.429 1.00 0.00 C ATOM 654 C ILE A 44 2.818 -5.107 3.424 1.00 0.00 C ATOM 655 O ILE A 44 1.710 -5.638 3.436 1.00 0.00 O ATOM 656 CB ILE A 44 2.978 -2.580 3.803 1.00 0.00 C ATOM 657 CG1 ILE A 44 3.333 -1.453 4.800 1.00 0.00 C ATOM 658 CG2 ILE A 44 1.534 -2.376 3.294 1.00 0.00 C ATOM 659 CD1 ILE A 44 3.517 -0.076 4.145 1.00 0.00 C ATOM 0 H ILE A 44 5.113 -3.507 4.781 1.00 0.00 H new ATOM 0 HA ILE A 44 2.357 -4.000 5.222 1.00 0.00 H new ATOM 0 HB ILE A 44 3.690 -2.523 2.980 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.546 -1.385 5.551 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.251 -1.721 5.324 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.441 -1.384 2.852 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.303 -3.131 2.543 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.838 -2.468 4.128 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.764 0.661 4.910 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.324 -0.126 3.415 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.593 0.216 3.645 1.00 0.00 H new ATOM 671 N ILE A 45 3.776 -5.519 2.578 1.00 0.00 N ATOM 672 CA ILE A 45 3.482 -6.608 1.646 1.00 0.00 C ATOM 673 C ILE A 45 3.229 -7.881 2.472 1.00 0.00 C ATOM 674 O ILE A 45 2.295 -8.612 2.150 1.00 0.00 O ATOM 675 CB ILE A 45 4.522 -6.792 0.519 1.00 0.00 C ATOM 676 CG1 ILE A 45 4.590 -5.614 -0.481 1.00 0.00 C ATOM 677 CG2 ILE A 45 4.117 -8.037 -0.293 1.00 0.00 C ATOM 678 CD1 ILE A 45 5.351 -4.385 0.016 1.00 0.00 C ATOM 0 H ILE A 45 4.718 -5.133 2.522 1.00 0.00 H new ATOM 0 HA ILE A 45 2.584 -6.352 1.084 1.00 0.00 H new ATOM 0 HB ILE A 45 5.495 -6.871 1.003 1.00 0.00 H new ATOM 0 HG12 ILE A 45 5.058 -5.965 -1.401 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.573 -5.314 -0.735 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.834 -8.195 -1.099 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.107 -8.910 0.360 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.123 -7.889 -0.715 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.343 -3.615 -0.756 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.873 -4.001 0.917 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.381 -4.661 0.241 1.00 0.00 H new ATOM 690 N GLN A 46 3.964 -8.139 3.567 1.00 0.00 N ATOM 691 CA GLN A 46 3.717 -9.329 4.395 1.00 0.00 C ATOM 692 C GLN A 46 2.275 -9.304 4.965 1.00 0.00 C ATOM 693 O GLN A 46 1.758 -10.336 5.401 1.00 0.00 O ATOM 694 CB GLN A 46 4.741 -9.465 5.536 1.00 0.00 C ATOM 695 CG GLN A 46 6.188 -9.787 5.122 1.00 0.00 C ATOM 696 CD GLN A 46 7.044 -10.204 6.331 1.00 0.00 C ATOM 697 OE1 GLN A 46 6.788 -9.771 7.461 1.00 0.00 O ATOM 698 NE2 GLN A 46 7.999 -11.103 6.111 1.00 0.00 N ATOM 0 H GLN A 46 4.726 -7.546 3.896 1.00 0.00 H new ATOM 0 HA GLN A 46 3.831 -10.200 3.750 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.747 -8.534 6.103 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.397 -10.247 6.212 1.00 0.00 H new ATOM 0 HG2 GLN A 46 6.186 -10.589 4.383 1.00 0.00 H new ATOM 0 HG3 GLN A 46 6.633 -8.914 4.644 1.00 0.00 H new ATOM 0 HE21 GLN A 46 8.179 -11.435 5.163 1.00 0.00 H new ATOM 0 HE22 GLN A 46 8.552 -11.461 6.890 1.00 0.00 H new ATOM 707 N SER A 47 1.606 -8.142 4.995 1.00 0.00 N ATOM 708 CA SER A 47 0.235 -7.991 5.469 1.00 0.00 C ATOM 709 C SER A 47 -0.745 -8.549 4.426 1.00 0.00 C ATOM 710 O SER A 47 -1.892 -8.840 4.767 1.00 0.00 O ATOM 711 CB SER A 47 -0.036 -6.505 5.764 1.00 0.00 C ATOM 712 OG SER A 47 -1.234 -6.254 6.474 1.00 0.00 O ATOM 0 H SER A 47 2.019 -7.264 4.681 1.00 0.00 H new ATOM 0 HA SER A 47 0.092 -8.556 6.390 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.801 -6.103 6.336 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.068 -5.961 4.820 1.00 0.00 H new ATOM 0 HG SER A 47 -1.331 -5.290 6.622 1.00 0.00 H new ATOM 718 N ARG A 48 -0.331 -8.715 3.165 1.00 0.00 N ATOM 719 CA ARG A 48 -1.140 -9.241 2.068 1.00 0.00 C ATOM 720 C ARG A 48 -0.664 -10.602 1.593 1.00 0.00 C ATOM 721 O ARG A 48 -1.484 -11.393 1.136 1.00 0.00 O ATOM 722 CB ARG A 48 -1.133 -8.244 0.901 1.00 0.00 C ATOM 723 CG ARG A 48 -1.604 -6.830 1.281 1.00 0.00 C ATOM 724 CD ARG A 48 -3.102 -6.722 1.586 1.00 0.00 C ATOM 725 NE ARG A 48 -3.424 -7.305 2.891 1.00 0.00 N ATOM 726 CZ ARG A 48 -4.575 -7.269 3.559 1.00 0.00 C ATOM 727 NH1 ARG A 48 -5.664 -6.687 3.072 1.00 0.00 N ATOM 728 NH2 ARG A 48 -4.613 -7.841 4.752 1.00 0.00 N ATOM 0 H ARG A 48 0.616 -8.476 2.872 1.00 0.00 H new ATOM 0 HA ARG A 48 -2.155 -9.373 2.443 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -0.123 -8.182 0.496 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -1.773 -8.627 0.106 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -1.043 -6.496 2.154 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -1.362 -6.148 0.466 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -3.404 -5.675 1.569 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -3.671 -7.231 0.808 1.00 0.00 H new ATOM 0 HE ARG A 48 -2.663 -7.806 3.350 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -5.638 -6.245 2.153 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -6.526 -6.682 3.617 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -3.778 -8.289 5.130 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -5.477 -7.834 5.294 1.00 0.00 H new ATOM 742 N GLU A 49 0.622 -10.888 1.748 1.00 0.00 N ATOM 743 CA GLU A 49 1.237 -12.133 1.319 1.00 0.00 C ATOM 744 C GLU A 49 1.581 -13.008 2.535 1.00 0.00 C ATOM 745 O GLU A 49 2.645 -12.824 3.134 1.00 0.00 O ATOM 746 CB GLU A 49 2.453 -11.813 0.436 1.00 0.00 C ATOM 747 CG GLU A 49 2.126 -10.893 -0.754 1.00 0.00 C ATOM 748 CD GLU A 49 0.890 -11.337 -1.541 1.00 0.00 C ATOM 749 OE1 GLU A 49 0.836 -12.518 -1.949 1.00 0.00 O ATOM 750 OE2 GLU A 49 -0.041 -10.520 -1.742 1.00 0.00 O ATOM 0 H GLU A 49 1.280 -10.244 2.186 1.00 0.00 H new ATOM 0 HA GLU A 49 0.540 -12.716 0.717 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.222 -11.342 1.048 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.873 -12.745 0.059 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.970 -9.878 -0.388 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.984 -10.861 -1.426 1.00 0.00 H new ATOM 757 N PRO A 50 0.732 -13.988 2.904 1.00 0.00 N ATOM 758 CA PRO A 50 0.966 -14.859 4.055 1.00 0.00 C ATOM 759 C PRO A 50 2.238 -15.693 3.912 1.00 0.00 C ATOM 760 O PRO A 50 3.042 -15.765 4.841 1.00 0.00 O ATOM 761 CB PRO A 50 -0.290 -15.730 4.194 1.00 0.00 C ATOM 762 CG PRO A 50 -0.923 -15.688 2.805 1.00 0.00 C ATOM 763 CD PRO A 50 -0.550 -14.308 2.288 1.00 0.00 C ATOM 0 HA PRO A 50 1.132 -14.269 4.956 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -0.039 -16.749 4.488 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -0.966 -15.337 4.953 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -0.533 -16.477 2.162 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -2.004 -15.821 2.852 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -0.473 -14.305 1.201 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -1.308 -13.572 2.556 1.00 0.00 H new ATOM 771 N SER A 51 2.468 -16.300 2.747 1.00 0.00 N ATOM 772 CA SER A 51 3.659 -17.109 2.532 1.00 0.00 C ATOM 773 C SER A 51 4.927 -16.271 2.712 1.00 0.00 C ATOM 774 O SER A 51 5.816 -16.656 3.471 1.00 0.00 O ATOM 775 CB SER A 51 3.550 -17.827 1.184 1.00 0.00 C ATOM 776 OG SER A 51 2.345 -18.581 1.157 1.00 0.00 O ATOM 0 H SER A 51 1.844 -16.244 1.942 1.00 0.00 H new ATOM 0 HA SER A 51 3.734 -17.890 3.289 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.559 -17.102 0.370 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.408 -18.483 1.036 1.00 0.00 H new ATOM 0 HG SER A 51 2.267 -19.042 0.296 1.00 0.00 H new ATOM 782 N LEU A 52 4.973 -15.087 2.095 1.00 0.00 N ATOM 783 CA LEU A 52 6.120 -14.181 2.196 1.00 0.00 C ATOM 784 C LEU A 52 6.284 -13.642 3.621 1.00 0.00 C ATOM 785 O LEU A 52 7.329 -13.073 3.947 1.00 0.00 O ATOM 786 CB LEU A 52 6.038 -13.042 1.161 1.00 0.00 C ATOM 787 CG LEU A 52 6.503 -13.395 -0.268 1.00 0.00 C ATOM 788 CD1 LEU A 52 7.887 -14.047 -0.320 1.00 0.00 C ATOM 789 CD2 LEU A 52 5.525 -14.318 -0.999 1.00 0.00 C ATOM 0 H LEU A 52 4.216 -14.730 1.512 1.00 0.00 H new ATOM 0 HA LEU A 52 7.014 -14.760 1.964 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.006 -12.696 1.111 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.637 -12.206 1.521 1.00 0.00 H new ATOM 0 HG LEU A 52 6.547 -12.428 -0.769 1.00 0.00 H new ATOM 0 HD11 LEU A 52 8.147 -14.267 -1.355 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.626 -13.366 0.103 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.875 -14.973 0.255 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.904 -14.532 -1.998 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.420 -15.250 -0.444 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.553 -13.830 -1.076 1.00 0.00 H new ATOM 801 N LYS A 53 5.284 -13.800 4.503 1.00 0.00 N ATOM 802 CA LYS A 53 5.402 -13.354 5.886 1.00 0.00 C ATOM 803 C LYS A 53 6.387 -14.255 6.651 1.00 0.00 C ATOM 804 O LYS A 53 6.695 -13.974 7.806 1.00 0.00 O ATOM 805 CB LYS A 53 4.027 -13.208 6.569 1.00 0.00 C ATOM 806 CG LYS A 53 4.202 -12.524 7.934 1.00 0.00 C ATOM 807 CD LYS A 53 2.998 -11.736 8.447 1.00 0.00 C ATOM 808 CE LYS A 53 3.365 -11.069 9.780 1.00 0.00 C ATOM 809 NZ LYS A 53 4.371 -9.986 9.634 1.00 0.00 N ATOM 0 H LYS A 53 4.389 -14.233 4.276 1.00 0.00 H new ATOM 0 HA LYS A 53 5.822 -12.348 5.897 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.357 -12.622 5.940 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.567 -14.188 6.698 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.453 -13.287 8.671 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.055 -11.848 7.873 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.704 -10.981 7.717 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.144 -12.400 8.581 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.463 -10.659 10.235 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.751 -11.825 10.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.391 -9.412 10.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.310 -10.404 9.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.117 -9.383 8.826 1.00 0.00 H new ATOM 823 N ASN A 54 6.891 -15.322 6.030 1.00 0.00 N ATOM 824 CA ASN A 54 7.836 -16.272 6.606 1.00 0.00 C ATOM 825 C ASN A 54 9.179 -16.171 5.885 1.00 0.00 C ATOM 826 O ASN A 54 9.989 -17.091 5.981 1.00 0.00 O ATOM 827 CB ASN A 54 7.251 -17.693 6.535 1.00 0.00 C ATOM 828 CG ASN A 54 6.001 -17.797 7.390 1.00 0.00 C ATOM 829 OD1 ASN A 54 6.060 -18.226 8.540 1.00 0.00 O ATOM 830 ND2 ASN A 54 4.852 -17.375 6.886 1.00 0.00 N ATOM 0 H ASN A 54 6.639 -15.556 5.070 1.00 0.00 H new ATOM 0 HA ASN A 54 8.007 -16.035 7.656 1.00 0.00 H new ATOM 0 HB2 ASN A 54 7.013 -17.943 5.501 1.00 0.00 H new ATOM 0 HB3 ASN A 54 7.993 -18.415 6.876 1.00 0.00 H new ATOM 0 HD21 ASN A 54 4.005 -17.404 7.453 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.814 -17.021 5.930 1.00 0.00 H new ATOM 837 N SER A 55 9.420 -15.092 5.136 1.00 0.00 N ATOM 838 CA SER A 55 10.643 -14.859 4.383 1.00 0.00 C ATOM 839 C SER A 55 11.436 -13.689 4.977 1.00 0.00 C ATOM 840 O SER A 55 10.923 -12.956 5.830 1.00 0.00 O ATOM 841 CB SER A 55 10.274 -14.695 2.901 1.00 0.00 C ATOM 842 OG SER A 55 9.445 -15.768 2.473 1.00 0.00 O ATOM 0 H SER A 55 8.743 -14.335 5.038 1.00 0.00 H new ATOM 0 HA SER A 55 11.319 -15.711 4.455 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.758 -13.747 2.751 1.00 0.00 H new ATOM 0 HB3 SER A 55 11.180 -14.664 2.296 1.00 0.00 H new ATOM 0 HG SER A 55 9.476 -15.835 1.496 1.00 0.00 H new ATOM 848 N ASN A 56 12.712 -13.563 4.601 1.00 0.00 N ATOM 849 CA ASN A 56 13.600 -12.505 5.086 1.00 0.00 C ATOM 850 C ASN A 56 13.329 -11.211 4.318 1.00 0.00 C ATOM 851 O ASN A 56 13.026 -11.279 3.127 1.00 0.00 O ATOM 852 CB ASN A 56 15.081 -12.906 4.907 1.00 0.00 C ATOM 853 CG ASN A 56 15.894 -12.853 6.203 1.00 0.00 C ATOM 854 OD1 ASN A 56 15.374 -12.644 7.298 1.00 0.00 O ATOM 855 ND2 ASN A 56 17.193 -13.063 6.120 1.00 0.00 N ATOM 0 H ASN A 56 13.162 -14.201 3.944 1.00 0.00 H new ATOM 0 HA ASN A 56 13.404 -12.353 6.147 1.00 0.00 H new ATOM 0 HB2 ASN A 56 15.128 -13.916 4.500 1.00 0.00 H new ATOM 0 HB3 ASN A 56 15.541 -12.245 4.173 1.00 0.00 H new ATOM 0 HD21 ASN A 56 17.766 -13.052 6.964 1.00 0.00 H new ATOM 0 HD22 ASN A 56 17.625 -13.236 5.212 1.00 0.00 H new ATOM 862 N PRO A 57 13.506 -10.024 4.919 1.00 0.00 N ATOM 863 CA PRO A 57 13.245 -8.769 4.229 1.00 0.00 C ATOM 864 C PRO A 57 14.229 -8.518 3.092 1.00 0.00 C ATOM 865 O PRO A 57 13.824 -8.057 2.029 1.00 0.00 O ATOM 866 CB PRO A 57 13.355 -7.681 5.299 1.00 0.00 C ATOM 867 CG PRO A 57 14.299 -8.304 6.323 1.00 0.00 C ATOM 868 CD PRO A 57 13.876 -9.770 6.299 1.00 0.00 C ATOM 0 HA PRO A 57 12.261 -8.784 3.760 1.00 0.00 H new ATOM 0 HB2 PRO A 57 13.756 -6.753 4.892 1.00 0.00 H new ATOM 0 HB3 PRO A 57 12.385 -7.444 5.736 1.00 0.00 H new ATOM 0 HG2 PRO A 57 15.345 -8.177 6.043 1.00 0.00 H new ATOM 0 HG3 PRO A 57 14.178 -7.861 7.312 1.00 0.00 H new ATOM 0 HD2 PRO A 57 14.689 -10.422 6.617 1.00 0.00 H new ATOM 0 HD3 PRO A 57 13.039 -9.952 6.973 1.00 0.00 H new ATOM 876 N ASP A 58 15.504 -8.846 3.307 1.00 0.00 N ATOM 877 CA ASP A 58 16.585 -8.655 2.345 1.00 0.00 C ATOM 878 C ASP A 58 16.530 -9.606 1.145 1.00 0.00 C ATOM 879 O ASP A 58 17.437 -9.603 0.312 1.00 0.00 O ATOM 880 CB ASP A 58 17.929 -8.785 3.068 1.00 0.00 C ATOM 881 CG ASP A 58 19.037 -8.102 2.270 1.00 0.00 C ATOM 882 OD1 ASP A 58 18.983 -6.863 2.101 1.00 0.00 O ATOM 883 OD2 ASP A 58 20.013 -8.777 1.862 1.00 0.00 O ATOM 0 H ASP A 58 15.820 -9.264 4.182 1.00 0.00 H new ATOM 0 HA ASP A 58 16.464 -7.655 1.929 1.00 0.00 H new ATOM 0 HB2 ASP A 58 17.859 -8.338 4.060 1.00 0.00 H new ATOM 0 HB3 ASP A 58 18.172 -9.838 3.209 1.00 0.00 H new ATOM 888 N GLU A 59 15.495 -10.445 1.054 1.00 0.00 N ATOM 889 CA GLU A 59 15.324 -11.401 -0.033 1.00 0.00 C ATOM 890 C GLU A 59 14.013 -11.180 -0.790 1.00 0.00 C ATOM 891 O GLU A 59 13.868 -11.708 -1.896 1.00 0.00 O ATOM 892 CB GLU A 59 15.394 -12.833 0.528 1.00 0.00 C ATOM 893 CG GLU A 59 16.739 -13.094 1.220 1.00 0.00 C ATOM 894 CD GLU A 59 16.987 -14.548 1.606 1.00 0.00 C ATOM 895 OE1 GLU A 59 16.038 -15.329 1.823 1.00 0.00 O ATOM 896 OE2 GLU A 59 18.190 -14.885 1.752 1.00 0.00 O ATOM 0 H GLU A 59 14.745 -10.477 1.744 1.00 0.00 H new ATOM 0 HA GLU A 59 16.132 -11.250 -0.749 1.00 0.00 H new ATOM 0 HB2 GLU A 59 14.581 -12.988 1.237 1.00 0.00 H new ATOM 0 HB3 GLU A 59 15.253 -13.550 -0.281 1.00 0.00 H new ATOM 0 HG2 GLU A 59 17.541 -12.766 0.559 1.00 0.00 H new ATOM 0 HG3 GLU A 59 16.795 -12.479 2.119 1.00 0.00 H new ATOM 903 N ILE A 60 13.070 -10.412 -0.238 1.00 0.00 N ATOM 904 CA ILE A 60 11.786 -10.169 -0.880 1.00 0.00 C ATOM 905 C ILE A 60 11.890 -9.022 -1.884 1.00 0.00 C ATOM 906 O ILE A 60 12.109 -7.863 -1.511 1.00 0.00 O ATOM 907 CB ILE A 60 10.661 -9.918 0.146 1.00 0.00 C ATOM 908 CG1 ILE A 60 10.492 -11.106 1.122 1.00 0.00 C ATOM 909 CG2 ILE A 60 9.344 -9.702 -0.632 1.00 0.00 C ATOM 910 CD1 ILE A 60 9.905 -10.704 2.483 1.00 0.00 C ATOM 0 H ILE A 60 13.179 -9.945 0.662 1.00 0.00 H new ATOM 0 HA ILE A 60 11.518 -11.075 -1.424 1.00 0.00 H new ATOM 0 HB ILE A 60 10.919 -9.042 0.741 1.00 0.00 H new ATOM 0 HG12 ILE A 60 9.845 -11.853 0.663 1.00 0.00 H new ATOM 0 HG13 ILE A 60 11.462 -11.577 1.279 1.00 0.00 H new ATOM 0 HG21 ILE A 60 8.531 -9.522 0.072 1.00 0.00 H new ATOM 0 HG22 ILE A 60 9.449 -8.842 -1.293 1.00 0.00 H new ATOM 0 HG23 ILE A 60 9.122 -10.590 -1.224 1.00 0.00 H new ATOM 0 HD11 ILE A 60 9.815 -11.587 3.115 1.00 0.00 H new ATOM 0 HD12 ILE A 60 10.563 -9.979 2.963 1.00 0.00 H new ATOM 0 HD13 ILE A 60 8.920 -10.260 2.338 1.00 0.00 H new ATOM 922 N GLU A 61 11.694 -9.353 -3.154 1.00 0.00 N ATOM 923 CA GLU A 61 11.706 -8.426 -4.271 1.00 0.00 C ATOM 924 C GLU A 61 10.353 -7.703 -4.302 1.00 0.00 C ATOM 925 O GLU A 61 9.314 -8.306 -4.017 1.00 0.00 O ATOM 926 CB GLU A 61 11.829 -9.245 -5.563 1.00 0.00 C ATOM 927 CG GLU A 61 13.226 -9.829 -5.799 1.00 0.00 C ATOM 928 CD GLU A 61 13.136 -10.920 -6.863 1.00 0.00 C ATOM 929 OE1 GLU A 61 12.761 -12.062 -6.487 1.00 0.00 O ATOM 930 OE2 GLU A 61 13.339 -10.621 -8.063 1.00 0.00 O ATOM 0 H GLU A 61 11.515 -10.315 -3.442 1.00 0.00 H new ATOM 0 HA GLU A 61 12.527 -7.715 -4.177 1.00 0.00 H new ATOM 0 HB2 GLU A 61 11.106 -10.060 -5.535 1.00 0.00 H new ATOM 0 HB3 GLU A 61 11.563 -8.612 -6.409 1.00 0.00 H new ATOM 0 HG2 GLU A 61 13.912 -9.045 -6.121 1.00 0.00 H new ATOM 0 HG3 GLU A 61 13.624 -10.240 -4.871 1.00 0.00 H new ATOM 937 N ILE A 62 10.323 -6.434 -4.691 1.00 0.00 N ATOM 938 CA ILE A 62 9.121 -5.623 -4.811 1.00 0.00 C ATOM 939 C ILE A 62 8.837 -5.499 -6.307 1.00 0.00 C ATOM 940 O ILE A 62 9.505 -4.742 -7.013 1.00 0.00 O ATOM 941 CB ILE A 62 9.306 -4.249 -4.137 1.00 0.00 C ATOM 942 CG1 ILE A 62 9.694 -4.431 -2.654 1.00 0.00 C ATOM 943 CG2 ILE A 62 8.015 -3.419 -4.284 1.00 0.00 C ATOM 944 CD1 ILE A 62 9.776 -3.108 -1.894 1.00 0.00 C ATOM 0 H ILE A 62 11.170 -5.923 -4.941 1.00 0.00 H new ATOM 0 HA ILE A 62 8.276 -6.084 -4.300 1.00 0.00 H new ATOM 0 HB ILE A 62 10.116 -3.709 -4.628 1.00 0.00 H new ATOM 0 HG12 ILE A 62 8.963 -5.078 -2.169 1.00 0.00 H new ATOM 0 HG13 ILE A 62 10.657 -4.938 -2.595 1.00 0.00 H new ATOM 0 HG21 ILE A 62 8.150 -2.449 -3.806 1.00 0.00 H new ATOM 0 HG22 ILE A 62 7.793 -3.275 -5.341 1.00 0.00 H new ATOM 0 HG23 ILE A 62 7.188 -3.946 -3.808 1.00 0.00 H new ATOM 0 HD11 ILE A 62 10.053 -3.300 -0.857 1.00 0.00 H new ATOM 0 HD12 ILE A 62 10.527 -2.468 -2.357 1.00 0.00 H new ATOM 0 HD13 ILE A 62 8.807 -2.610 -1.924 1.00 0.00 H new ATOM 956 N ASP A 63 7.852 -6.239 -6.809 1.00 0.00 N ATOM 957 CA ASP A 63 7.464 -6.209 -8.216 1.00 0.00 C ATOM 958 C ASP A 63 5.990 -5.850 -8.238 1.00 0.00 C ATOM 959 O ASP A 63 5.182 -6.467 -7.551 1.00 0.00 O ATOM 960 CB ASP A 63 7.825 -7.514 -8.934 1.00 0.00 C ATOM 961 CG ASP A 63 9.142 -7.317 -9.677 1.00 0.00 C ATOM 962 OD1 ASP A 63 9.130 -6.640 -10.728 1.00 0.00 O ATOM 963 OD2 ASP A 63 10.207 -7.727 -9.168 1.00 0.00 O ATOM 0 H ASP A 63 7.296 -6.882 -6.245 1.00 0.00 H new ATOM 0 HA ASP A 63 8.018 -5.460 -8.782 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.915 -8.328 -8.215 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.035 -7.792 -9.632 1.00 0.00 H new ATOM 968 N PHE A 64 5.631 -4.778 -8.938 1.00 0.00 N ATOM 969 CA PHE A 64 4.253 -4.302 -9.006 1.00 0.00 C ATOM 970 C PHE A 64 3.474 -5.104 -10.036 1.00 0.00 C ATOM 971 O PHE A 64 2.251 -5.030 -10.125 1.00 0.00 O ATOM 972 CB PHE A 64 4.242 -2.797 -9.298 1.00 0.00 C ATOM 973 CG PHE A 64 5.160 -1.977 -8.402 1.00 0.00 C ATOM 974 CD1 PHE A 64 4.990 -2.000 -7.003 1.00 0.00 C ATOM 975 CD2 PHE A 64 6.206 -1.215 -8.959 1.00 0.00 C ATOM 976 CE1 PHE A 64 5.841 -1.252 -6.170 1.00 0.00 C ATOM 977 CE2 PHE A 64 7.066 -0.479 -8.123 1.00 0.00 C ATOM 978 CZ PHE A 64 6.882 -0.491 -6.729 1.00 0.00 C ATOM 0 H PHE A 64 6.289 -4.214 -9.475 1.00 0.00 H new ATOM 0 HA PHE A 64 3.757 -4.451 -8.047 1.00 0.00 H new ATOM 0 HB2 PHE A 64 4.531 -2.638 -10.337 1.00 0.00 H new ATOM 0 HB3 PHE A 64 3.223 -2.426 -9.191 1.00 0.00 H new ATOM 0 HD1 PHE A 64 4.201 -2.596 -6.568 1.00 0.00 H new ATOM 0 HD2 PHE A 64 6.348 -1.196 -10.029 1.00 0.00 H new ATOM 0 HE1 PHE A 64 5.695 -1.262 -5.100 1.00 0.00 H new ATOM 0 HE2 PHE A 64 7.871 0.098 -8.554 1.00 0.00 H new ATOM 0 HZ PHE A 64 7.538 0.082 -6.091 1.00 0.00 H new ATOM 988 N GLU A 65 4.193 -5.907 -10.809 1.00 0.00 N ATOM 989 CA GLU A 65 3.657 -6.758 -11.834 1.00 0.00 C ATOM 990 C GLU A 65 3.074 -8.059 -11.263 1.00 0.00 C ATOM 991 O GLU A 65 2.349 -8.748 -11.976 1.00 0.00 O ATOM 992 CB GLU A 65 4.781 -7.002 -12.841 1.00 0.00 C ATOM 993 CG GLU A 65 5.898 -7.937 -12.365 1.00 0.00 C ATOM 994 CD GLU A 65 6.674 -8.497 -13.549 1.00 0.00 C ATOM 995 OE1 GLU A 65 6.267 -9.549 -14.089 1.00 0.00 O ATOM 996 OE2 GLU A 65 7.700 -7.899 -13.940 1.00 0.00 O ATOM 0 H GLU A 65 5.207 -5.978 -10.726 1.00 0.00 H new ATOM 0 HA GLU A 65 2.812 -6.278 -12.329 1.00 0.00 H new ATOM 0 HB2 GLU A 65 4.347 -7.416 -13.751 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.223 -6.042 -13.107 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.575 -7.396 -11.704 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.471 -8.755 -11.784 1.00 0.00 H new ATOM 1003 N THR A 66 3.349 -8.387 -9.994 1.00 0.00 N ATOM 1004 CA THR A 66 2.862 -9.600 -9.337 1.00 0.00 C ATOM 1005 C THR A 66 2.010 -9.262 -8.106 1.00 0.00 C ATOM 1006 O THR A 66 1.256 -10.118 -7.633 1.00 0.00 O ATOM 1007 CB THR A 66 4.069 -10.524 -9.029 1.00 0.00 C ATOM 1008 OG1 THR A 66 3.658 -11.827 -8.653 1.00 0.00 O ATOM 1009 CG2 THR A 66 5.005 -9.972 -7.949 1.00 0.00 C ATOM 0 H THR A 66 3.926 -7.805 -9.387 1.00 0.00 H new ATOM 0 HA THR A 66 2.192 -10.146 -10.001 1.00 0.00 H new ATOM 0 HB THR A 66 4.624 -10.568 -9.966 1.00 0.00 H new ATOM 0 HG1 THR A 66 4.447 -12.378 -8.469 1.00 0.00 H new ATOM 0 HG21 THR A 66 5.825 -10.671 -7.787 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.406 -9.011 -8.271 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.451 -9.841 -7.020 1.00 0.00 H new ATOM 1017 N LEU A 67 2.113 -8.050 -7.544 1.00 0.00 N ATOM 1018 CA LEU A 67 1.325 -7.709 -6.372 1.00 0.00 C ATOM 1019 C LEU A 67 -0.096 -7.350 -6.815 1.00 0.00 C ATOM 1020 O LEU A 67 -0.351 -7.005 -7.973 1.00 0.00 O ATOM 1021 CB LEU A 67 1.997 -6.560 -5.597 1.00 0.00 C ATOM 1022 CG LEU A 67 3.319 -6.883 -4.878 1.00 0.00 C ATOM 1023 CD1 LEU A 67 3.844 -5.597 -4.205 1.00 0.00 C ATOM 1024 CD2 LEU A 67 3.183 -8.008 -3.851 1.00 0.00 C ATOM 0 H LEU A 67 2.725 -7.307 -7.881 1.00 0.00 H new ATOM 0 HA LEU A 67 1.267 -8.561 -5.695 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.181 -5.743 -6.295 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.289 -6.192 -4.855 1.00 0.00 H new ATOM 0 HG LEU A 67 4.028 -7.241 -5.625 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.781 -5.812 -3.691 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.013 -4.832 -4.963 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.109 -5.238 -3.484 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.149 -8.188 -3.379 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.456 -7.721 -3.092 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.848 -8.917 -4.350 1.00 0.00 H new ATOM 1036 N LYS A 68 -1.048 -7.451 -5.887 1.00 0.00 N ATOM 1037 CA LYS A 68 -2.442 -7.125 -6.164 1.00 0.00 C ATOM 1038 C LYS A 68 -2.617 -5.615 -6.098 1.00 0.00 C ATOM 1039 O LYS A 68 -1.842 -4.943 -5.412 1.00 0.00 O ATOM 1040 CB LYS A 68 -3.375 -7.802 -5.148 1.00 0.00 C ATOM 1041 CG LYS A 68 -3.642 -9.266 -5.507 1.00 0.00 C ATOM 1042 CD LYS A 68 -2.551 -10.207 -4.998 1.00 0.00 C ATOM 1043 CE LYS A 68 -2.936 -11.657 -5.302 1.00 0.00 C ATOM 1044 NZ LYS A 68 -2.626 -12.029 -6.697 1.00 0.00 N ATOM 0 H LYS A 68 -0.874 -7.759 -4.930 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.702 -7.490 -7.158 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.931 -7.747 -4.154 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.320 -7.260 -5.105 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.602 -9.569 -5.088 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.722 -9.361 -6.590 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -1.600 -9.966 -5.472 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.415 -10.074 -3.925 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -2.405 -12.324 -4.622 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -4.001 -11.796 -5.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.902 -13.018 -6.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -3.152 -11.410 -7.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -1.606 -11.921 -6.866 1.00 0.00 H new ATOM 1058 N PRO A 69 -3.652 -5.051 -6.738 1.00 0.00 N ATOM 1059 CA PRO A 69 -3.888 -3.614 -6.696 1.00 0.00 C ATOM 1060 C PRO A 69 -4.201 -3.166 -5.271 1.00 0.00 C ATOM 1061 O PRO A 69 -3.792 -2.086 -4.855 1.00 0.00 O ATOM 1062 CB PRO A 69 -5.055 -3.365 -7.647 1.00 0.00 C ATOM 1063 CG PRO A 69 -5.792 -4.701 -7.648 1.00 0.00 C ATOM 1064 CD PRO A 69 -4.649 -5.705 -7.572 1.00 0.00 C ATOM 0 HA PRO A 69 -3.013 -3.040 -7.001 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -5.693 -2.553 -7.298 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -4.711 -3.094 -8.645 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -6.470 -4.792 -6.799 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -6.390 -4.834 -8.549 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -4.976 -6.648 -7.135 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -4.253 -5.933 -8.562 1.00 0.00 H new ATOM 1072 N SER A 70 -4.867 -4.020 -4.490 1.00 0.00 N ATOM 1073 CA SER A 70 -5.233 -3.703 -3.124 1.00 0.00 C ATOM 1074 C SER A 70 -3.999 -3.525 -2.236 1.00 0.00 C ATOM 1075 O SER A 70 -4.045 -2.751 -1.284 1.00 0.00 O ATOM 1076 CB SER A 70 -6.157 -4.805 -2.597 1.00 0.00 C ATOM 1077 OG SER A 70 -7.097 -5.192 -3.598 1.00 0.00 O ATOM 0 H SER A 70 -5.163 -4.947 -4.794 1.00 0.00 H new ATOM 0 HA SER A 70 -5.761 -2.750 -3.103 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.566 -5.668 -2.292 1.00 0.00 H new ATOM 0 HB3 SER A 70 -6.685 -4.452 -1.711 1.00 0.00 H new ATOM 0 HG SER A 70 -7.678 -5.898 -3.245 1.00 0.00 H new ATOM 1083 N THR A 71 -2.886 -4.201 -2.532 1.00 0.00 N ATOM 1084 CA THR A 71 -1.664 -4.085 -1.758 1.00 0.00 C ATOM 1085 C THR A 71 -1.141 -2.649 -1.879 1.00 0.00 C ATOM 1086 O THR A 71 -0.860 -2.015 -0.862 1.00 0.00 O ATOM 1087 CB THR A 71 -0.680 -5.159 -2.262 1.00 0.00 C ATOM 1088 OG1 THR A 71 -1.353 -6.407 -2.208 1.00 0.00 O ATOM 1089 CG2 THR A 71 0.620 -5.221 -1.451 1.00 0.00 C ATOM 0 H THR A 71 -2.815 -4.845 -3.320 1.00 0.00 H new ATOM 0 HA THR A 71 -1.820 -4.266 -0.694 1.00 0.00 H new ATOM 0 HB THR A 71 -0.379 -4.905 -3.278 1.00 0.00 H new ATOM 0 HG1 THR A 71 -0.754 -7.115 -2.525 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.267 -5.998 -1.859 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.129 -4.259 -1.506 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.389 -5.451 -0.411 1.00 0.00 H new ATOM 1097 N LEU A 72 -1.111 -2.094 -3.097 1.00 0.00 N ATOM 1098 CA LEU A 72 -0.621 -0.743 -3.363 1.00 0.00 C ATOM 1099 C LEU A 72 -1.341 0.321 -2.546 1.00 0.00 C ATOM 1100 O LEU A 72 -0.690 1.266 -2.127 1.00 0.00 O ATOM 1101 CB LEU A 72 -0.683 -0.361 -4.842 1.00 0.00 C ATOM 1102 CG LEU A 72 0.103 -1.294 -5.768 1.00 0.00 C ATOM 1103 CD1 LEU A 72 -0.454 -1.300 -7.185 1.00 0.00 C ATOM 1104 CD2 LEU A 72 1.611 -1.017 -5.816 1.00 0.00 C ATOM 0 H LEU A 72 -1.432 -2.580 -3.934 1.00 0.00 H new ATOM 0 HA LEU A 72 0.425 -0.773 -3.056 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.726 -0.348 -5.158 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.302 0.654 -4.959 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.027 -2.279 -5.320 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.135 -1.976 -7.805 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.491 -1.636 -7.167 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.406 -0.293 -7.599 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.089 -1.723 -6.495 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.783 -0.000 -6.169 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.034 -1.131 -4.818 1.00 0.00 H new ATOM 1116 N ARG A 73 -2.643 0.188 -2.272 1.00 0.00 N ATOM 1117 CA ARG A 73 -3.416 1.139 -1.494 1.00 0.00 C ATOM 1118 C ARG A 73 -2.776 1.422 -0.136 1.00 0.00 C ATOM 1119 O ARG A 73 -2.744 2.567 0.304 1.00 0.00 O ATOM 1120 CB ARG A 73 -4.815 0.517 -1.335 1.00 0.00 C ATOM 1121 CG ARG A 73 -5.805 1.368 -0.550 1.00 0.00 C ATOM 1122 CD ARG A 73 -6.077 2.701 -1.234 1.00 0.00 C ATOM 1123 NE ARG A 73 -7.027 2.576 -2.348 1.00 0.00 N ATOM 1124 CZ ARG A 73 -8.238 3.138 -2.440 1.00 0.00 C ATOM 1125 NH1 ARG A 73 -8.798 3.741 -1.404 1.00 0.00 N ATOM 1126 NH2 ARG A 73 -8.886 3.109 -3.594 1.00 0.00 N ATOM 0 H ARG A 73 -3.194 -0.606 -2.597 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.463 2.104 -1.998 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -5.227 0.325 -2.326 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -4.714 -0.449 -0.840 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -6.741 0.822 -0.434 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -5.415 1.547 0.452 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -6.470 3.408 -0.503 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -5.139 3.114 -1.605 1.00 0.00 H new ATOM 0 HE ARG A 73 -6.732 1.999 -3.136 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -8.306 3.784 -0.512 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -9.722 4.162 -1.498 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -8.462 2.660 -4.406 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -9.809 3.535 -3.671 1.00 0.00 H new ATOM 1140 N GLU A 74 -2.311 0.378 0.550 1.00 0.00 N ATOM 1141 CA GLU A 74 -1.681 0.530 1.863 1.00 0.00 C ATOM 1142 C GLU A 74 -0.289 1.139 1.704 1.00 0.00 C ATOM 1143 O GLU A 74 0.184 1.850 2.589 1.00 0.00 O ATOM 1144 CB GLU A 74 -1.589 -0.833 2.567 1.00 0.00 C ATOM 1145 CG GLU A 74 -2.924 -1.272 3.188 1.00 0.00 C ATOM 1146 CD GLU A 74 -3.237 -0.636 4.553 1.00 0.00 C ATOM 1147 OE1 GLU A 74 -2.511 0.271 5.033 1.00 0.00 O ATOM 1148 OE2 GLU A 74 -4.214 -1.090 5.187 1.00 0.00 O ATOM 0 H GLU A 74 -2.359 -0.585 0.218 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.290 1.197 2.474 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.262 -1.586 1.850 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.829 -0.784 3.347 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.729 -1.028 2.495 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.918 -2.356 3.300 1.00 0.00 H new ATOM 1155 N LEU A 75 0.381 0.845 0.586 1.00 0.00 N ATOM 1156 CA LEU A 75 1.709 1.365 0.308 1.00 0.00 C ATOM 1157 C LEU A 75 1.605 2.868 0.045 1.00 0.00 C ATOM 1158 O LEU A 75 2.420 3.607 0.588 1.00 0.00 O ATOM 1159 CB LEU A 75 2.395 0.609 -0.847 1.00 0.00 C ATOM 1160 CG LEU A 75 2.456 -0.921 -0.672 1.00 0.00 C ATOM 1161 CD1 LEU A 75 2.991 -1.607 -1.928 1.00 0.00 C ATOM 1162 CD2 LEU A 75 3.338 -1.336 0.498 1.00 0.00 C ATOM 0 H LEU A 75 0.012 0.239 -0.147 1.00 0.00 H new ATOM 0 HA LEU A 75 2.348 1.205 1.177 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.867 0.834 -1.774 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.411 0.989 -0.958 1.00 0.00 H new ATOM 0 HG LEU A 75 1.430 -1.234 -0.479 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.021 -2.685 -1.769 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.338 -1.382 -2.771 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.997 -1.244 -2.141 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.348 -2.423 0.579 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.353 -0.975 0.334 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.945 -0.907 1.420 1.00 0.00 H new ATOM 1174 N GLU A 76 0.607 3.310 -0.730 1.00 0.00 N ATOM 1175 CA GLU A 76 0.326 4.705 -1.075 1.00 0.00 C ATOM 1176 C GLU A 76 0.112 5.477 0.228 1.00 0.00 C ATOM 1177 O GLU A 76 0.750 6.492 0.490 1.00 0.00 O ATOM 1178 CB GLU A 76 -0.930 4.775 -1.976 1.00 0.00 C ATOM 1179 CG GLU A 76 -1.382 6.213 -2.293 1.00 0.00 C ATOM 1180 CD GLU A 76 -2.681 6.253 -3.108 1.00 0.00 C ATOM 1181 OE1 GLU A 76 -2.813 5.552 -4.137 1.00 0.00 O ATOM 1182 OE2 GLU A 76 -3.633 6.952 -2.675 1.00 0.00 O ATOM 0 H GLU A 76 -0.061 2.667 -1.155 1.00 0.00 H new ATOM 0 HA GLU A 76 1.156 5.145 -1.627 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.726 4.253 -2.911 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.748 4.245 -1.487 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.524 6.760 -1.361 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.594 6.725 -2.845 1.00 0.00 H new ATOM 1189 N ARG A 77 -0.780 4.964 1.079 1.00 0.00 N ATOM 1190 CA ARG A 77 -1.107 5.571 2.358 1.00 0.00 C ATOM 1191 C ARG A 77 0.115 5.647 3.262 1.00 0.00 C ATOM 1192 O ARG A 77 0.165 6.531 4.122 1.00 0.00 O ATOM 1193 CB ARG A 77 -2.275 4.784 2.968 1.00 0.00 C ATOM 1194 CG ARG A 77 -3.616 5.384 2.504 1.00 0.00 C ATOM 1195 CD ARG A 77 -4.769 4.390 2.339 1.00 0.00 C ATOM 1196 NE ARG A 77 -4.876 3.444 3.458 1.00 0.00 N ATOM 1197 CZ ARG A 77 -5.882 2.591 3.666 1.00 0.00 C ATOM 1198 NH1 ARG A 77 -6.983 2.625 2.923 1.00 0.00 N ATOM 1199 NH2 ARG A 77 -5.761 1.693 4.632 1.00 0.00 N ATOM 0 H ARG A 77 -1.298 4.106 0.891 1.00 0.00 H new ATOM 0 HA ARG A 77 -1.421 6.607 2.227 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -2.213 3.737 2.670 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -2.213 4.810 4.056 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -3.919 6.147 3.221 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -3.457 5.888 1.551 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -5.705 4.940 2.245 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -4.632 3.834 1.412 1.00 0.00 H new ATOM 0 HE ARG A 77 -4.114 3.438 4.136 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -7.073 3.313 2.175 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -7.739 1.963 3.100 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -4.913 1.664 5.198 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -6.516 1.031 4.810 1.00 0.00 H new ATOM 1213 N TYR A 78 1.078 4.734 3.130 1.00 0.00 N ATOM 1214 CA TYR A 78 2.277 4.780 3.942 1.00 0.00 C ATOM 1215 C TYR A 78 3.179 5.892 3.408 1.00 0.00 C ATOM 1216 O TYR A 78 3.484 6.816 4.169 1.00 0.00 O ATOM 1217 CB TYR A 78 3.002 3.430 3.986 1.00 0.00 C ATOM 1218 CG TYR A 78 4.281 3.484 4.804 1.00 0.00 C ATOM 1219 CD1 TYR A 78 4.217 3.541 6.211 1.00 0.00 C ATOM 1220 CD2 TYR A 78 5.535 3.535 4.164 1.00 0.00 C ATOM 1221 CE1 TYR A 78 5.389 3.697 6.974 1.00 0.00 C ATOM 1222 CE2 TYR A 78 6.713 3.671 4.920 1.00 0.00 C ATOM 1223 CZ TYR A 78 6.644 3.779 6.325 1.00 0.00 C ATOM 1224 OH TYR A 78 7.784 3.989 7.036 1.00 0.00 O ATOM 0 H TYR A 78 1.044 3.959 2.468 1.00 0.00 H new ATOM 0 HA TYR A 78 2.001 4.996 4.974 1.00 0.00 H new ATOM 0 HB2 TYR A 78 2.336 2.677 4.408 1.00 0.00 H new ATOM 0 HB3 TYR A 78 3.237 3.114 2.970 1.00 0.00 H new ATOM 0 HD1 TYR A 78 3.261 3.464 6.707 1.00 0.00 H new ATOM 0 HD2 TYR A 78 5.592 3.469 3.088 1.00 0.00 H new ATOM 0 HE1 TYR A 78 5.331 3.754 8.051 1.00 0.00 H new ATOM 0 HE2 TYR A 78 7.672 3.693 4.424 1.00 0.00 H new ATOM 0 HH TYR A 78 8.528 3.515 6.609 1.00 0.00 H new ATOM 1234 N VAL A 79 3.579 5.831 2.128 1.00 0.00 N ATOM 1235 CA VAL A 79 4.461 6.824 1.524 1.00 0.00 C ATOM 1236 C VAL A 79 3.907 8.235 1.681 1.00 0.00 C ATOM 1237 O VAL A 79 4.602 9.072 2.255 1.00 0.00 O ATOM 1238 CB VAL A 79 4.874 6.481 0.072 1.00 0.00 C ATOM 1239 CG1 VAL A 79 5.444 5.063 -0.041 1.00 0.00 C ATOM 1240 CG2 VAL A 79 3.769 6.600 -0.985 1.00 0.00 C ATOM 0 H VAL A 79 3.296 5.089 1.488 1.00 0.00 H new ATOM 0 HA VAL A 79 5.395 6.792 2.085 1.00 0.00 H new ATOM 0 HB VAL A 79 5.623 7.243 -0.141 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.721 4.864 -1.076 1.00 0.00 H new ATOM 0 HG12 VAL A 79 6.325 4.973 0.594 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.692 4.342 0.279 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.171 6.336 -1.963 1.00 0.00 H new ATOM 0 HG22 VAL A 79 2.952 5.924 -0.735 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.398 7.625 -1.009 1.00 0.00 H new ATOM 1250 N THR A 80 2.666 8.507 1.268 1.00 0.00 N ATOM 1251 CA THR A 80 2.097 9.837 1.383 1.00 0.00 C ATOM 1252 C THR A 80 2.153 10.343 2.815 1.00 0.00 C ATOM 1253 O THR A 80 2.480 11.505 2.984 1.00 0.00 O ATOM 1254 CB THR A 80 0.674 9.866 0.798 1.00 0.00 C ATOM 1255 OG1 THR A 80 0.691 9.530 -0.572 1.00 0.00 O ATOM 1256 CG2 THR A 80 0.012 11.243 0.888 1.00 0.00 C ATOM 0 H THR A 80 2.041 7.817 0.851 1.00 0.00 H new ATOM 0 HA THR A 80 2.702 10.526 0.794 1.00 0.00 H new ATOM 0 HB THR A 80 0.110 9.147 1.393 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.683 8.555 -0.670 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.989 11.194 0.458 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.056 11.546 1.933 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.609 11.970 0.337 1.00 0.00 H new ATOM 1264 N SER A 81 1.891 9.535 3.841 1.00 0.00 N ATOM 1265 CA SER A 81 1.943 10.042 5.211 1.00 0.00 C ATOM 1266 C SER A 81 3.391 10.275 5.656 1.00 0.00 C ATOM 1267 O SER A 81 3.644 11.170 6.465 1.00 0.00 O ATOM 1268 CB SER A 81 1.082 9.182 6.133 1.00 0.00 C ATOM 1269 OG SER A 81 -0.271 9.443 5.781 1.00 0.00 O ATOM 0 H SER A 81 1.646 8.549 3.754 1.00 0.00 H new ATOM 0 HA SER A 81 1.492 11.033 5.267 1.00 0.00 H new ATOM 0 HB2 SER A 81 1.318 8.125 6.010 1.00 0.00 H new ATOM 0 HB3 SER A 81 1.266 9.430 7.178 1.00 0.00 H new ATOM 0 HG SER A 81 -0.865 8.909 6.348 1.00 0.00 H new ATOM 1275 N CYS A 82 4.377 9.521 5.155 1.00 0.00 N ATOM 1276 CA CYS A 82 5.769 9.777 5.525 1.00 0.00 C ATOM 1277 C CYS A 82 6.179 11.122 4.900 1.00 0.00 C ATOM 1278 O CYS A 82 6.961 11.871 5.485 1.00 0.00 O ATOM 1279 CB CYS A 82 6.696 8.669 5.019 1.00 0.00 C ATOM 1280 SG CYS A 82 6.355 7.112 5.879 1.00 0.00 S ATOM 0 H CYS A 82 4.240 8.746 4.507 1.00 0.00 H new ATOM 0 HA CYS A 82 5.856 9.804 6.611 1.00 0.00 H new ATOM 0 HB2 CYS A 82 6.560 8.535 3.946 1.00 0.00 H new ATOM 0 HB3 CYS A 82 7.736 8.957 5.175 1.00 0.00 H new ATOM 0 HG CYS A 82 6.729 6.114 5.135 1.00 0.00 H new ATOM 1286 N LEU A 83 5.630 11.420 3.716 1.00 0.00 N ATOM 1287 CA LEU A 83 5.829 12.622 2.914 1.00 0.00 C ATOM 1288 C LEU A 83 4.807 13.712 3.276 1.00 0.00 C ATOM 1289 O LEU A 83 4.794 14.768 2.636 1.00 0.00 O ATOM 1290 CB LEU A 83 5.679 12.270 1.416 1.00 0.00 C ATOM 1291 CG LEU A 83 6.626 11.176 0.886 1.00 0.00 C ATOM 1292 CD1 LEU A 83 6.282 10.836 -0.569 1.00 0.00 C ATOM 1293 CD2 LEU A 83 8.097 11.600 0.973 1.00 0.00 C ATOM 0 H LEU A 83 4.985 10.772 3.263 1.00 0.00 H new ATOM 0 HA LEU A 83 6.829 13.004 3.118 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.652 11.952 1.238 1.00 0.00 H new ATOM 0 HB3 LEU A 83 5.838 13.176 0.832 1.00 0.00 H new ATOM 0 HG LEU A 83 6.488 10.297 1.516 1.00 0.00 H new ATOM 0 HD11 LEU A 83 6.958 10.062 -0.931 1.00 0.00 H new ATOM 0 HD12 LEU A 83 5.255 10.476 -0.625 1.00 0.00 H new ATOM 0 HD13 LEU A 83 6.388 11.728 -1.186 1.00 0.00 H new ATOM 0 HD21 LEU A 83 8.730 10.800 0.589 1.00 0.00 H new ATOM 0 HD22 LEU A 83 8.252 12.501 0.380 1.00 0.00 H new ATOM 0 HD23 LEU A 83 8.357 11.801 2.012 1.00 0.00 H new ATOM 1305 N ARG A 84 3.933 13.501 4.270 1.00 0.00 N ATOM 1306 CA ARG A 84 2.907 14.463 4.667 1.00 0.00 C ATOM 1307 C ARG A 84 2.642 14.430 6.171 1.00 0.00 C ATOM 1308 O ARG A 84 1.891 13.592 6.663 1.00 0.00 O ATOM 1309 CB ARG A 84 1.642 14.164 3.842 1.00 0.00 C ATOM 1310 CG ARG A 84 0.665 15.328 3.734 1.00 0.00 C ATOM 1311 CD ARG A 84 -0.321 15.030 2.598 1.00 0.00 C ATOM 1312 NE ARG A 84 -1.230 16.157 2.382 1.00 0.00 N ATOM 1313 CZ ARG A 84 -0.985 17.271 1.684 1.00 0.00 C ATOM 1314 NH1 ARG A 84 0.177 17.451 1.053 1.00 0.00 N ATOM 1315 NH2 ARG A 84 -1.916 18.213 1.643 1.00 0.00 N ATOM 0 H ARG A 84 3.922 12.645 4.825 1.00 0.00 H new ATOM 0 HA ARG A 84 3.247 15.478 4.461 1.00 0.00 H new ATOM 0 HB2 ARG A 84 1.942 13.864 2.838 1.00 0.00 H new ATOM 0 HB3 ARG A 84 1.126 13.314 4.288 1.00 0.00 H new ATOM 0 HG2 ARG A 84 0.130 15.463 4.674 1.00 0.00 H new ATOM 0 HG3 ARG A 84 1.201 16.256 3.537 1.00 0.00 H new ATOM 0 HD2 ARG A 84 0.229 14.821 1.680 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -0.896 14.135 2.836 1.00 0.00 H new ATOM 0 HE ARG A 84 -2.152 16.085 2.811 1.00 0.00 H new ATOM 0 HH11 ARG A 84 0.898 16.731 1.098 1.00 0.00 H new ATOM 0 HH12 ARG A 84 0.344 18.308 0.526 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -2.798 18.080 2.138 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -1.751 19.071 1.117 1.00 0.00 H new ATOM 1329 N LYS A 85 3.250 15.366 6.902 1.00 0.00 N ATOM 1330 CA LYS A 85 3.100 15.519 8.352 1.00 0.00 C ATOM 1331 C LYS A 85 1.619 15.680 8.718 1.00 0.00 C ATOM 1332 O LYS A 85 0.817 16.128 7.893 1.00 0.00 O ATOM 1333 CB LYS A 85 3.957 16.708 8.830 1.00 0.00 C ATOM 1334 CG LYS A 85 3.545 18.049 8.191 1.00 0.00 C ATOM 1335 CD LYS A 85 4.615 19.132 8.367 1.00 0.00 C ATOM 1336 CE LYS A 85 4.290 20.281 7.409 1.00 0.00 C ATOM 1337 NZ LYS A 85 5.257 21.387 7.499 1.00 0.00 N ATOM 0 H LYS A 85 3.877 16.058 6.492 1.00 0.00 H new ATOM 0 HA LYS A 85 3.456 14.624 8.863 1.00 0.00 H new ATOM 0 HB2 LYS A 85 3.880 16.791 9.914 1.00 0.00 H new ATOM 0 HB3 LYS A 85 5.004 16.509 8.599 1.00 0.00 H new ATOM 0 HG2 LYS A 85 3.355 17.899 7.128 1.00 0.00 H new ATOM 0 HG3 LYS A 85 2.610 18.389 8.637 1.00 0.00 H new ATOM 0 HD2 LYS A 85 4.631 19.488 9.397 1.00 0.00 H new ATOM 0 HD3 LYS A 85 5.605 18.728 8.155 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.272 19.902 6.387 1.00 0.00 H new ATOM 0 HE3 LYS A 85 3.291 20.659 7.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 4.990 22.137 6.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 5.258 21.770 8.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 6.208 21.037 7.265 1.00 0.00 H new ATOM 1351 N LYS A 86 1.257 15.361 9.961 1.00 0.00 N ATOM 1352 CA LYS A 86 -0.100 15.427 10.505 1.00 0.00 C ATOM 1353 C LYS A 86 -0.032 16.305 11.752 1.00 0.00 C ATOM 1354 O LYS A 86 0.273 15.805 12.835 1.00 0.00 O ATOM 1355 CB LYS A 86 -0.620 14.001 10.823 1.00 0.00 C ATOM 1356 CG LYS A 86 -0.385 12.933 9.737 1.00 0.00 C ATOM 1357 CD LYS A 86 -1.127 13.173 8.415 1.00 0.00 C ATOM 1358 CE LYS A 86 -2.417 12.354 8.310 1.00 0.00 C ATOM 1359 NZ LYS A 86 -3.517 12.835 9.173 1.00 0.00 N ATOM 0 H LYS A 86 1.935 15.034 10.649 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.801 15.856 9.789 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -0.148 13.662 11.745 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -1.691 14.062 11.017 1.00 0.00 H new ATOM 0 HG2 LYS A 86 0.684 12.876 9.531 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -0.685 11.963 10.133 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -1.365 14.233 8.323 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -0.471 12.920 7.582 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.755 12.362 7.274 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.197 11.318 8.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.351 12.228 9.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.217 12.802 10.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -3.757 13.814 8.916 1.00 0.00 H new ATOM 1373 N ARG A 87 -0.301 17.606 11.630 1.00 0.00 N ATOM 1374 CA ARG A 87 -0.243 18.562 12.735 1.00 0.00 C ATOM 1375 C ARG A 87 -1.603 19.189 13.043 1.00 0.00 C ATOM 1376 O ARG A 87 -1.914 20.280 12.564 1.00 0.00 O ATOM 1377 CB ARG A 87 0.840 19.618 12.433 1.00 0.00 C ATOM 1378 CG ARG A 87 1.165 20.464 13.678 1.00 0.00 C ATOM 1379 CD ARG A 87 1.963 21.729 13.348 1.00 0.00 C ATOM 1380 NE ARG A 87 3.265 21.435 12.736 1.00 0.00 N ATOM 1381 CZ ARG A 87 4.214 22.327 12.438 1.00 0.00 C ATOM 1382 NH1 ARG A 87 4.034 23.620 12.690 1.00 0.00 N ATOM 1383 NH2 ARG A 87 5.343 21.899 11.891 1.00 0.00 N ATOM 0 H ARG A 87 -0.570 18.032 10.743 1.00 0.00 H new ATOM 0 HA ARG A 87 0.032 18.027 13.644 1.00 0.00 H new ATOM 0 HB2 ARG A 87 1.745 19.122 12.082 1.00 0.00 H new ATOM 0 HB3 ARG A 87 0.500 20.269 11.628 1.00 0.00 H new ATOM 0 HG2 ARG A 87 0.235 20.746 14.172 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.731 19.858 14.385 1.00 0.00 H new ATOM 0 HD2 ARG A 87 1.381 22.354 12.671 1.00 0.00 H new ATOM 0 HD3 ARG A 87 2.117 22.305 14.261 1.00 0.00 H new ATOM 0 HE ARG A 87 3.463 20.459 12.518 1.00 0.00 H new ATOM 0 HH11 ARG A 87 3.164 23.940 13.115 1.00 0.00 H new ATOM 0 HH12 ARG A 87 4.766 24.292 12.458 1.00 0.00 H new ATOM 0 HH21 ARG A 87 5.475 20.905 11.705 1.00 0.00 H new ATOM 0 HH22 ARG A 87 6.080 22.564 11.656 1.00 0.00 H new ATOM 1397 N LYS A 88 -2.423 18.520 13.851 1.00 0.00 N ATOM 1398 CA LYS A 88 -3.734 18.996 14.288 1.00 0.00 C ATOM 1399 C LYS A 88 -3.776 18.728 15.801 1.00 0.00 C ATOM 1400 O LYS A 88 -4.334 17.709 16.216 1.00 0.00 O ATOM 1401 CB LYS A 88 -4.894 18.357 13.499 1.00 0.00 C ATOM 1402 CG LYS A 88 -6.224 19.035 13.887 1.00 0.00 C ATOM 1403 CD LYS A 88 -7.474 18.170 13.685 1.00 0.00 C ATOM 1404 CE LYS A 88 -8.075 18.222 12.281 1.00 0.00 C ATOM 1405 NZ LYS A 88 -7.398 17.343 11.306 1.00 0.00 N ATOM 0 H LYS A 88 -2.186 17.604 14.231 1.00 0.00 H new ATOM 0 HA LYS A 88 -3.870 20.059 14.086 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -4.720 18.463 12.428 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -4.945 17.289 13.710 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -6.171 19.332 14.934 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -6.334 19.948 13.302 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -7.223 17.135 13.918 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -8.234 18.483 14.401 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -9.127 17.943 12.337 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -8.036 19.249 11.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -7.860 17.432 10.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -6.399 17.621 11.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -7.457 16.356 11.629 1.00 0.00 H new ATOM 1419 N PRO A 89 -3.120 19.565 16.623 1.00 0.00 N ATOM 1420 CA PRO A 89 -3.091 19.401 18.067 1.00 0.00 C ATOM 1421 C PRO A 89 -4.462 19.745 18.659 1.00 0.00 C ATOM 1422 O PRO A 89 -4.888 20.901 18.610 1.00 0.00 O ATOM 1423 CB PRO A 89 -1.983 20.337 18.559 1.00 0.00 C ATOM 1424 CG PRO A 89 -1.973 21.462 17.524 1.00 0.00 C ATOM 1425 CD PRO A 89 -2.422 20.781 16.234 1.00 0.00 C ATOM 0 HA PRO A 89 -2.884 18.376 18.376 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -2.193 20.715 19.559 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -1.020 19.828 18.606 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -2.649 22.269 17.805 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -0.980 21.900 17.420 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -3.077 21.436 15.659 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -1.566 20.550 15.600 1.00 0.00 H new ATOM 1433 N GLN A 90 -5.168 18.736 19.164 1.00 0.00 N ATOM 1434 CA GLN A 90 -6.476 18.839 19.790 1.00 0.00 C ATOM 1435 C GLN A 90 -6.570 17.715 20.806 1.00 0.00 C ATOM 1436 O GLN A 90 -6.028 16.618 20.531 1.00 0.00 O ATOM 1437 CB GLN A 90 -7.639 18.768 18.779 1.00 0.00 C ATOM 1438 CG GLN A 90 -7.519 17.634 17.741 1.00 0.00 C ATOM 1439 CD GLN A 90 -8.843 17.144 17.146 1.00 0.00 C ATOM 1440 OE1 GLN A 90 -9.945 17.463 17.596 1.00 0.00 O ATOM 1441 NE2 GLN A 90 -8.760 16.292 16.137 1.00 0.00 N ATOM 0 H GLN A 90 -4.822 17.777 19.145 1.00 0.00 H new ATOM 0 HA GLN A 90 -6.572 19.816 20.265 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -8.573 18.643 19.327 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -7.703 19.720 18.252 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -6.879 17.976 16.927 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -7.015 16.788 18.209 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -7.847 16.029 15.765 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -9.609 15.898 15.731 1.00 0.00 H new TER 1450 GLN A 90