USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 574 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 83 MET CE :methyl -168:sc= -1.59 (180deg=-2.09) USER MOD Set 1.2: A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.0197 X(o=-0.02,f=0.1) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 83:sc= 1.19 USER MOD Single : A 30 ASN : amide:sc= 0.913 K(o=0.91,f=0.37) USER MOD Single : A 31 ASN : amide:sc= -0.0133 K(o=-0.013,f=-0.93) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -91:sc= 0.107 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0235 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 0.434 K(o=0.43,f=-2.9!) USER MOD Single : A 52 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 53 SER OG : rot 74:sc=0.000666 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.0129 X(o=-0.013,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 178:sc= 1.22 (180deg=1.19) USER MOD Single : A 67 MET CE :methyl -172:sc= 0 (180deg=-0.0603) USER MOD Single : A 69 THR OG1 : rot -80:sc= 1.26 USER MOD Single : A 82 ASN : amide:sc= 0.0561 K(o=0.056,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 14 -3.613 -4.437 -5.976 0.49 4.08 N ATOM 2 CA ASN A 14 -2.368 -4.198 -6.740 0.49 3.81 C ATOM 3 C ASN A 14 -1.246 -3.757 -5.806 0.49 2.99 C ATOM 4 O ASN A 14 -1.538 -3.213 -4.735 0.49 2.99 O ATOM 5 CB ASN A 14 -2.555 -3.170 -7.872 0.49 4.56 C ATOM 6 CG ASN A 14 -3.471 -3.711 -8.956 0.49 5.49 C ATOM 7 OD1 ASN A 14 -4.602 -4.081 -8.686 0.49 6.08 O ATOM 8 ND2 ASN A 14 -3.013 -3.824 -10.181 0.49 6.07 N ATOM 0 HA ASN A 14 -2.098 -5.144 -7.209 0.49 3.81 H new ATOM 0 HB2 ASN A 14 -2.972 -2.249 -7.465 0.49 4.56 H new ATOM 0 HB3 ASN A 14 -1.586 -2.918 -8.303 0.49 4.56 H new ATOM 0 HD21 ASN A 14 -3.603 -4.222 -10.911 0.49 6.07 H new ATOM 0 HD22 ASN A 14 -2.067 -3.513 -10.402 0.49 6.07 H new ATOM 15 N PRO A 15 0.029 -3.932 -6.205 0.49 2.53 N ATOM 16 CA PRO A 15 1.188 -3.500 -5.420 0.49 1.92 C ATOM 17 C PRO A 15 1.293 -1.968 -5.309 0.49 1.65 C ATOM 18 O PRO A 15 0.607 -1.233 -6.028 0.49 1.78 O ATOM 19 CB PRO A 15 2.410 -4.115 -6.119 0.49 1.99 C ATOM 20 CG PRO A 15 1.840 -5.203 -7.030 0.49 2.85 C ATOM 21 CD PRO A 15 0.476 -4.641 -7.397 0.49 2.88 C ATOM 0 HA PRO A 15 1.106 -3.837 -4.387 0.49 1.92 H new ATOM 0 HB2 PRO A 15 2.955 -3.365 -6.693 0.49 1.99 H new ATOM 0 HB3 PRO A 15 3.110 -4.533 -5.395 0.49 1.99 H new ATOM 0 HG2 PRO A 15 2.463 -5.364 -7.910 0.49 2.85 H new ATOM 0 HG3 PRO A 15 1.760 -6.161 -6.517 0.49 2.85 H new ATOM 0 HD2 PRO A 15 0.543 -3.970 -8.254 0.49 2.88 H new ATOM 0 HD3 PRO A 15 -0.219 -5.436 -7.668 0.49 2.88 H new ATOM 29 N CYS A 16 2.168 -1.456 -4.435 1.00 1.42 N ATOM 30 CA CYS A 16 2.307 -0.011 -4.230 1.00 1.35 C ATOM 31 C CYS A 16 3.255 0.617 -5.274 1.00 1.13 C ATOM 32 O CYS A 16 4.412 0.928 -4.980 1.00 0.95 O ATOM 33 CB CYS A 16 2.695 0.267 -2.772 1.00 1.44 C ATOM 34 SG CYS A 16 1.890 1.746 -2.110 1.00 1.03 S ATOM 0 H CYS A 16 2.790 -2.022 -3.858 1.00 1.42 H new ATOM 0 HA CYS A 16 1.349 0.482 -4.396 1.00 1.35 H new ATOM 0 HB2 CYS A 16 2.428 -0.593 -2.158 1.00 1.44 H new ATOM 0 HB3 CYS A 16 3.776 0.384 -2.703 1.00 1.44 H new ATOM 39 N LEU A 17 2.788 0.742 -6.521 1.00 1.27 N ATOM 40 CA LEU A 17 3.590 1.139 -7.688 1.00 1.22 C ATOM 41 C LEU A 17 4.344 2.469 -7.510 1.00 1.22 C ATOM 42 O LEU A 17 5.484 2.576 -7.958 1.00 1.16 O ATOM 43 CB LEU A 17 2.692 1.188 -8.947 1.00 1.40 C ATOM 44 CG LEU A 17 2.643 -0.097 -9.798 1.00 1.42 C ATOM 45 CD1 LEU A 17 3.999 -0.422 -10.432 1.00 2.15 C ATOM 46 CD2 LEU A 17 2.177 -1.313 -9.000 1.00 2.17 C ATOM 0 H LEU A 17 1.811 0.565 -6.755 1.00 1.27 H new ATOM 0 HA LEU A 17 4.362 0.379 -7.804 1.00 1.22 H new ATOM 0 HB2 LEU A 17 1.676 1.431 -8.634 1.00 1.40 H new ATOM 0 HB3 LEU A 17 3.035 2.006 -9.581 1.00 1.40 H new ATOM 0 HG LEU A 17 1.916 0.111 -10.583 1.00 1.42 H new ATOM 0 HD11 LEU A 17 3.916 -1.335 -11.022 1.00 2.15 H new ATOM 0 HD12 LEU A 17 4.305 0.401 -11.078 1.00 2.15 H new ATOM 0 HD13 LEU A 17 4.743 -0.563 -9.648 1.00 2.15 H new ATOM 0 HD21 LEU A 17 2.161 -2.189 -9.648 1.00 2.17 H new ATOM 0 HD22 LEU A 17 2.862 -1.488 -8.170 1.00 2.17 H new ATOM 0 HD23 LEU A 17 1.175 -1.131 -8.612 1.00 2.17 H new ATOM 58 N SER A 18 3.768 3.448 -6.808 1.00 1.34 N ATOM 59 CA SER A 18 4.399 4.762 -6.572 1.00 1.41 C ATOM 60 C SER A 18 5.696 4.651 -5.775 1.00 1.20 C ATOM 61 O SER A 18 6.694 5.309 -6.089 1.00 1.19 O ATOM 62 CB SER A 18 3.488 5.655 -5.729 1.00 1.70 C ATOM 63 OG SER A 18 2.267 5.973 -6.361 1.00 1.94 O ATOM 0 H SER A 18 2.846 3.357 -6.382 1.00 1.34 H new ATOM 0 HA SER A 18 4.587 5.173 -7.564 1.00 1.41 H new ATOM 0 HB2 SER A 18 3.279 5.156 -4.783 1.00 1.70 H new ATOM 0 HB3 SER A 18 4.016 6.579 -5.492 1.00 1.70 H new ATOM 0 HG SER A 18 1.732 6.543 -5.770 1.00 1.94 H new ATOM 69 N GLU A 19 5.666 3.808 -4.740 1.00 1.14 N ATOM 70 CA GLU A 19 6.798 3.524 -3.861 1.00 1.03 C ATOM 71 C GLU A 19 7.743 2.515 -4.526 1.00 0.88 C ATOM 72 O GLU A 19 8.951 2.595 -4.342 1.00 0.84 O ATOM 73 CB GLU A 19 6.293 2.981 -2.508 1.00 1.10 C ATOM 74 CG GLU A 19 5.200 3.817 -1.819 1.00 1.98 C ATOM 75 CD GLU A 19 5.653 5.243 -1.490 1.00 1.75 C ATOM 76 OE1 GLU A 19 5.480 6.157 -2.330 1.00 2.74 O ATOM 77 OE2 GLU A 19 6.179 5.477 -0.378 1.00 1.94 O ATOM 0 H GLU A 19 4.826 3.289 -4.484 1.00 1.14 H new ATOM 0 HA GLU A 19 7.349 4.448 -3.682 1.00 1.03 H new ATOM 0 HB2 GLU A 19 5.910 1.972 -2.663 1.00 1.10 H new ATOM 0 HB3 GLU A 19 7.143 2.899 -1.830 1.00 1.10 H new ATOM 0 HG2 GLU A 19 4.323 3.861 -2.465 1.00 1.98 H new ATOM 0 HG3 GLU A 19 4.894 3.318 -0.899 1.00 1.98 H new ATOM 84 N SER A 20 7.204 1.609 -5.351 1.00 0.87 N ATOM 85 CA SER A 20 7.963 0.576 -6.081 1.00 0.93 C ATOM 86 C SER A 20 8.842 1.170 -7.192 1.00 1.01 C ATOM 87 O SER A 20 9.999 0.772 -7.359 1.00 1.06 O ATOM 88 CB SER A 20 6.974 -0.436 -6.667 1.00 1.06 C ATOM 89 OG SER A 20 7.605 -1.490 -7.366 1.00 1.62 O ATOM 0 H SER A 20 6.202 1.570 -5.537 1.00 0.87 H new ATOM 0 HA SER A 20 8.638 0.087 -5.379 1.00 0.93 H new ATOM 0 HB2 SER A 20 6.371 -0.853 -5.861 1.00 1.06 H new ATOM 0 HB3 SER A 20 6.291 0.081 -7.341 1.00 1.06 H new ATOM 0 HG SER A 20 6.926 -2.104 -7.715 1.00 1.62 H new ATOM 95 N ASP A 21 8.338 2.172 -7.917 1.00 1.08 N ATOM 96 CA ASP A 21 9.119 2.944 -8.888 1.00 1.16 C ATOM 97 C ASP A 21 10.235 3.741 -8.196 1.00 1.13 C ATOM 98 O ASP A 21 11.394 3.659 -8.599 1.00 1.23 O ATOM 99 CB ASP A 21 8.169 3.865 -9.664 1.00 1.24 C ATOM 100 CG ASP A 21 8.925 4.839 -10.570 1.00 1.42 C ATOM 101 OD1 ASP A 21 9.525 4.378 -11.568 1.00 2.53 O ATOM 102 OD2 ASP A 21 8.922 6.057 -10.260 1.00 2.14 O ATOM 0 H ASP A 21 7.366 2.474 -7.846 1.00 1.08 H new ATOM 0 HA ASP A 21 9.608 2.263 -9.585 1.00 1.16 H new ATOM 0 HB2 ASP A 21 7.491 3.261 -10.267 1.00 1.24 H new ATOM 0 HB3 ASP A 21 7.555 4.427 -8.961 1.00 1.24 H new ATOM 107 N ALA A 22 9.919 4.454 -7.111 1.00 1.06 N ATOM 108 CA ALA A 22 10.901 5.260 -6.386 1.00 1.06 C ATOM 109 C ALA A 22 11.961 4.394 -5.661 1.00 0.97 C ATOM 110 O ALA A 22 13.145 4.722 -5.685 1.00 1.06 O ATOM 111 CB ALA A 22 10.136 6.219 -5.471 1.00 1.06 C ATOM 0 H ALA A 22 8.980 4.488 -6.714 1.00 1.06 H new ATOM 0 HA ALA A 22 11.496 5.851 -7.083 1.00 1.06 H new ATOM 0 HB1 ALA A 22 10.844 6.835 -4.916 1.00 1.06 H new ATOM 0 HB2 ALA A 22 9.492 6.860 -6.073 1.00 1.06 H new ATOM 0 HB3 ALA A 22 9.527 5.646 -4.772 1.00 1.06 H new ATOM 117 N SER A 23 11.572 3.232 -5.126 1.00 0.87 N ATOM 118 CA SER A 23 12.469 2.154 -4.667 1.00 0.89 C ATOM 119 C SER A 23 13.425 1.691 -5.774 1.00 0.93 C ATOM 120 O SER A 23 14.645 1.699 -5.599 1.00 0.94 O ATOM 121 CB SER A 23 11.628 0.953 -4.215 1.00 0.95 C ATOM 122 OG SER A 23 12.412 -0.046 -3.600 1.00 1.39 O ATOM 0 H SER A 23 10.587 3.003 -4.994 1.00 0.87 H new ATOM 0 HA SER A 23 13.064 2.549 -3.843 1.00 0.89 H new ATOM 0 HB2 SER A 23 10.861 1.291 -3.518 1.00 0.95 H new ATOM 0 HB3 SER A 23 11.112 0.528 -5.076 1.00 0.95 H new ATOM 0 HG SER A 23 11.837 -0.791 -3.326 1.00 1.39 H new ATOM 128 N THR A 24 12.881 1.364 -6.955 1.00 1.06 N ATOM 129 CA THR A 24 13.658 0.950 -8.138 1.00 1.25 C ATOM 130 C THR A 24 14.655 2.045 -8.548 1.00 1.33 C ATOM 131 O THR A 24 15.817 1.741 -8.827 1.00 1.42 O ATOM 132 CB THR A 24 12.713 0.587 -9.305 1.00 1.40 C ATOM 133 OG1 THR A 24 11.865 -0.489 -8.939 1.00 1.42 O ATOM 134 CG2 THR A 24 13.436 0.125 -10.569 1.00 1.53 C ATOM 0 H THR A 24 11.875 1.379 -7.120 1.00 1.06 H new ATOM 0 HA THR A 24 14.233 0.060 -7.880 1.00 1.25 H new ATOM 0 HB THR A 24 12.170 1.509 -9.513 1.00 1.40 H new ATOM 0 HG1 THR A 24 11.094 -0.144 -8.442 1.00 1.42 H new ATOM 0 HG21 THR A 24 12.704 -0.111 -11.341 1.00 1.53 H new ATOM 0 HG22 THR A 24 14.094 0.919 -10.923 1.00 1.53 H new ATOM 0 HG23 THR A 24 14.027 -0.763 -10.346 1.00 1.53 H new ATOM 142 N ARG A 25 14.237 3.317 -8.506 1.00 1.35 N ATOM 143 CA ARG A 25 15.062 4.503 -8.791 1.00 1.47 C ATOM 144 C ARG A 25 16.132 4.776 -7.732 1.00 1.32 C ATOM 145 O ARG A 25 17.231 5.165 -8.118 1.00 1.39 O ATOM 146 CB ARG A 25 14.150 5.725 -8.957 1.00 1.63 C ATOM 147 CG ARG A 25 13.406 5.723 -10.305 1.00 2.04 C ATOM 148 CD ARG A 25 12.118 6.551 -10.248 1.00 2.08 C ATOM 149 NE ARG A 25 12.329 7.881 -9.650 1.00 2.79 N ATOM 150 CZ ARG A 25 11.428 8.609 -9.022 1.00 4.16 C ATOM 151 NH1 ARG A 25 10.175 8.263 -8.966 1.00 4.72 N ATOM 152 NH2 ARG A 25 11.772 9.716 -8.432 1.00 5.62 N ATOM 0 H ARG A 25 13.277 3.560 -8.263 1.00 1.35 H new ATOM 0 HA ARG A 25 15.603 4.301 -9.715 1.00 1.47 H new ATOM 0 HB2 ARG A 25 13.424 5.746 -8.144 1.00 1.63 H new ATOM 0 HB3 ARG A 25 14.746 6.634 -8.875 1.00 1.63 H new ATOM 0 HG2 ARG A 25 14.060 6.121 -11.081 1.00 2.04 H new ATOM 0 HG3 ARG A 25 13.166 4.697 -10.586 1.00 2.04 H new ATOM 0 HD2 ARG A 25 11.720 6.668 -11.256 1.00 2.08 H new ATOM 0 HD3 ARG A 25 11.368 6.011 -9.670 1.00 2.08 H new ATOM 0 HE ARG A 25 13.265 8.277 -9.730 1.00 2.79 H new ATOM 0 HH11 ARG A 25 9.863 7.403 -9.417 1.00 4.72 H new ATOM 0 HH12 ARG A 25 9.505 8.851 -8.471 1.00 4.72 H new ATOM 0 HH21 ARG A 25 12.744 10.025 -8.454 1.00 5.62 H new ATOM 0 HH22 ARG A 25 11.070 10.275 -7.948 1.00 5.62 H new ATOM 166 N CYS A 26 15.870 4.515 -6.447 1.00 1.16 N ATOM 167 CA CYS A 26 16.891 4.569 -5.393 1.00 1.06 C ATOM 168 C CYS A 26 17.972 3.500 -5.613 1.00 1.03 C ATOM 169 O CYS A 26 19.166 3.779 -5.576 1.00 1.11 O ATOM 170 CB CYS A 26 16.269 4.398 -3.997 1.00 0.91 C ATOM 171 SG CYS A 26 17.557 4.338 -2.712 1.00 0.96 S ATOM 0 H CYS A 26 14.943 4.260 -6.107 1.00 1.16 H new ATOM 0 HA CYS A 26 17.354 5.554 -5.448 1.00 1.06 H new ATOM 0 HB2 CYS A 26 15.587 5.224 -3.795 1.00 0.91 H new ATOM 0 HB3 CYS A 26 15.678 3.482 -3.968 1.00 0.91 H new ATOM 176 N LEU A 27 17.565 2.262 -5.875 1.00 1.00 N ATOM 177 CA LEU A 27 18.490 1.147 -6.108 1.00 1.05 C ATOM 178 C LEU A 27 19.344 1.353 -7.368 1.00 1.23 C ATOM 179 O LEU A 27 20.533 1.037 -7.390 1.00 1.33 O ATOM 180 CB LEU A 27 17.643 -0.132 -6.148 1.00 1.09 C ATOM 181 CG LEU A 27 17.555 -0.787 -4.764 1.00 0.99 C ATOM 182 CD1 LEU A 27 17.189 0.108 -3.576 1.00 0.82 C ATOM 183 CD2 LEU A 27 16.562 -1.944 -4.805 1.00 1.18 C ATOM 0 H LEU A 27 16.581 1.998 -5.933 1.00 1.00 H new ATOM 0 HA LEU A 27 19.222 1.076 -5.304 1.00 1.05 H new ATOM 0 HB2 LEU A 27 16.641 0.104 -6.505 1.00 1.09 H new ATOM 0 HB3 LEU A 27 18.077 -0.836 -6.859 1.00 1.09 H new ATOM 0 HG LEU A 27 18.582 -1.099 -4.574 1.00 0.99 H new ATOM 0 HD11 LEU A 27 17.164 -0.489 -2.665 1.00 0.82 H new ATOM 0 HD12 LEU A 27 17.933 0.897 -3.472 1.00 0.82 H new ATOM 0 HD13 LEU A 27 16.209 0.554 -3.745 1.00 0.82 H new ATOM 0 HD21 LEU A 27 16.502 -2.407 -3.820 1.00 1.18 H new ATOM 0 HD22 LEU A 27 15.579 -1.570 -5.091 1.00 1.18 H new ATOM 0 HD23 LEU A 27 16.895 -2.683 -5.534 1.00 1.18 H new ATOM 195 N ASP A 28 18.741 1.970 -8.376 1.00 1.30 N ATOM 196 CA ASP A 28 19.413 2.506 -9.568 1.00 1.48 C ATOM 197 C ASP A 28 20.372 3.685 -9.273 1.00 1.49 C ATOM 198 O ASP A 28 21.470 3.721 -9.825 1.00 1.62 O ATOM 199 CB ASP A 28 18.334 2.897 -10.586 1.00 1.65 C ATOM 200 CG ASP A 28 18.930 3.341 -11.915 1.00 1.89 C ATOM 201 OD1 ASP A 28 19.249 2.450 -12.737 1.00 2.84 O ATOM 202 OD2 ASP A 28 19.067 4.566 -12.148 1.00 2.28 O ATOM 0 H ASP A 28 17.732 2.120 -8.393 1.00 1.30 H new ATOM 0 HA ASP A 28 20.060 1.727 -9.972 1.00 1.48 H new ATOM 0 HB2 ASP A 28 17.670 2.049 -10.753 1.00 1.65 H new ATOM 0 HB3 ASP A 28 17.725 3.703 -10.176 1.00 1.65 H new ATOM 207 N GLU A 29 20.012 4.607 -8.375 1.00 1.42 N ATOM 208 CA GLU A 29 20.858 5.714 -7.883 1.00 1.49 C ATOM 209 C GLU A 29 22.142 5.216 -7.200 1.00 1.44 C ATOM 210 O GLU A 29 23.218 5.782 -7.422 1.00 1.57 O ATOM 211 CB GLU A 29 20.049 6.558 -6.865 1.00 1.49 C ATOM 212 CG GLU A 29 19.496 7.887 -7.389 1.00 1.78 C ATOM 213 CD GLU A 29 20.412 9.067 -7.054 1.00 1.92 C ATOM 214 OE1 GLU A 29 21.495 9.186 -7.681 1.00 2.60 O ATOM 215 OE2 GLU A 29 20.047 9.895 -6.179 1.00 2.83 O ATOM 0 H GLU A 29 19.085 4.608 -7.949 1.00 1.42 H new ATOM 0 HA GLU A 29 21.150 6.310 -8.748 1.00 1.49 H new ATOM 0 HB2 GLU A 29 19.215 5.956 -6.505 1.00 1.49 H new ATOM 0 HB3 GLU A 29 20.687 6.765 -6.006 1.00 1.49 H new ATOM 0 HG2 GLU A 29 19.368 7.824 -8.470 1.00 1.78 H new ATOM 0 HG3 GLU A 29 18.509 8.062 -6.960 1.00 1.78 H new ATOM 222 N ASN A 30 22.028 4.179 -6.359 1.00 1.30 N ATOM 223 CA ASN A 30 23.089 3.682 -5.491 1.00 1.29 C ATOM 224 C ASN A 30 23.228 2.146 -5.522 1.00 1.27 C ATOM 225 O ASN A 30 22.677 1.459 -4.669 1.00 1.44 O ATOM 226 CB ASN A 30 22.854 4.232 -4.067 1.00 1.24 C ATOM 227 CG ASN A 30 21.422 4.181 -3.554 1.00 1.11 C ATOM 228 OD1 ASN A 30 20.815 5.206 -3.284 1.00 1.18 O ATOM 229 ND2 ASN A 30 20.847 3.014 -3.394 1.00 1.03 N ATOM 0 H ASN A 30 21.162 3.649 -6.266 1.00 1.30 H new ATOM 0 HA ASN A 30 24.047 4.045 -5.863 1.00 1.29 H new ATOM 0 HB2 ASN A 30 23.485 3.674 -3.376 1.00 1.24 H new ATOM 0 HB3 ASN A 30 23.191 5.268 -4.040 1.00 1.24 H new ATOM 0 HD21 ASN A 30 19.891 2.960 -3.043 1.00 1.03 H new ATOM 0 HD22 ASN A 30 21.356 2.159 -3.620 1.00 1.03 H new ATOM 236 N ASN A 31 24.006 1.608 -6.465 1.00 1.23 N ATOM 237 CA ASN A 31 24.682 0.297 -6.385 1.00 1.32 C ATOM 238 C ASN A 31 23.867 -0.879 -5.788 1.00 1.27 C ATOM 239 O ASN A 31 24.354 -1.627 -4.933 1.00 1.38 O ATOM 240 CB ASN A 31 26.030 0.512 -5.673 1.00 1.54 C ATOM 241 CG ASN A 31 27.040 -0.589 -5.943 1.00 2.41 C ATOM 242 OD1 ASN A 31 26.858 -1.469 -6.778 1.00 3.07 O ATOM 243 ND2 ASN A 31 28.151 -0.555 -5.254 1.00 3.10 N ATOM 0 H ASN A 31 24.194 2.089 -7.345 1.00 1.23 H new ATOM 0 HA ASN A 31 24.821 -0.050 -7.409 1.00 1.32 H new ATOM 0 HB2 ASN A 31 26.451 1.466 -5.990 1.00 1.54 H new ATOM 0 HB3 ASN A 31 25.858 0.581 -4.599 1.00 1.54 H new ATOM 0 HD21 ASN A 31 28.870 -1.262 -5.410 1.00 3.10 H new ATOM 0 HD22 ASN A 31 28.299 0.178 -4.561 1.00 3.10 H new ATOM 250 N TYR A 32 22.596 -1.004 -6.182 1.00 1.24 N ATOM 251 CA TYR A 32 21.628 -1.959 -5.636 1.00 1.23 C ATOM 252 C TYR A 32 21.586 -2.000 -4.087 1.00 1.09 C ATOM 253 O TYR A 32 21.509 -3.073 -3.484 1.00 1.29 O ATOM 254 CB TYR A 32 21.823 -3.333 -6.315 1.00 1.56 C ATOM 255 CG TYR A 32 20.743 -4.387 -6.088 1.00 2.10 C ATOM 256 CD1 TYR A 32 19.457 -4.039 -5.632 1.00 2.44 C ATOM 257 CD2 TYR A 32 21.034 -5.740 -6.345 1.00 3.44 C ATOM 258 CE1 TYR A 32 18.480 -5.020 -5.407 1.00 3.06 C ATOM 259 CE2 TYR A 32 20.057 -6.734 -6.130 1.00 4.09 C ATOM 260 CZ TYR A 32 18.776 -6.380 -5.652 1.00 3.57 C ATOM 261 OH TYR A 32 17.851 -7.345 -5.402 1.00 4.39 O ATOM 0 H TYR A 32 22.199 -0.420 -6.918 1.00 1.24 H new ATOM 0 HA TYR A 32 20.625 -1.610 -5.883 1.00 1.23 H new ATOM 0 HB2 TYR A 32 21.913 -3.169 -7.389 1.00 1.56 H new ATOM 0 HB3 TYR A 32 22.773 -3.745 -5.975 1.00 1.56 H new ATOM 0 HD1 TYR A 32 19.219 -3.001 -5.453 1.00 2.44 H new ATOM 0 HD2 TYR A 32 22.012 -6.019 -6.709 1.00 3.44 H new ATOM 0 HE1 TYR A 32 17.502 -4.736 -5.047 1.00 3.06 H new ATOM 0 HE2 TYR A 32 20.289 -7.769 -6.332 1.00 4.09 H new ATOM 0 HH TYR A 32 18.224 -8.222 -5.629 1.00 4.39 H new ATOM 271 N ASP A 33 21.641 -0.837 -3.422 1.00 0.91 N ATOM 272 CA ASP A 33 21.691 -0.684 -1.956 1.00 0.93 C ATOM 273 C ASP A 33 20.308 -0.846 -1.291 1.00 0.84 C ATOM 274 O ASP A 33 19.710 0.036 -0.661 1.00 0.76 O ATOM 275 CB ASP A 33 22.480 0.565 -1.529 1.00 1.04 C ATOM 276 CG ASP A 33 23.159 0.361 -0.172 1.00 1.29 C ATOM 277 OD1 ASP A 33 22.592 -0.330 0.706 1.00 1.87 O ATOM 278 OD2 ASP A 33 24.301 0.850 0.004 1.00 2.55 O ATOM 0 H ASP A 33 21.652 0.060 -3.908 1.00 0.91 H new ATOM 0 HA ASP A 33 22.269 -1.520 -1.561 1.00 0.93 H new ATOM 0 HB2 ASP A 33 23.233 0.797 -2.283 1.00 1.04 H new ATOM 0 HB3 ASP A 33 21.808 1.421 -1.476 1.00 1.04 H new ATOM 283 N ARG A 34 19.822 -2.070 -1.473 1.00 0.96 N ATOM 284 CA ARG A 34 18.626 -2.709 -0.921 1.00 1.03 C ATOM 285 C ARG A 34 18.576 -2.754 0.612 1.00 1.10 C ATOM 286 O ARG A 34 17.521 -3.047 1.167 1.00 1.14 O ATOM 287 CB ARG A 34 18.552 -4.102 -1.579 1.00 1.40 C ATOM 288 CG ARG A 34 19.722 -5.045 -1.216 1.00 2.24 C ATOM 289 CD ARG A 34 19.934 -6.079 -2.328 1.00 2.84 C ATOM 290 NE ARG A 34 21.136 -6.903 -2.117 1.00 4.08 N ATOM 291 CZ ARG A 34 22.337 -6.727 -2.640 1.00 5.56 C ATOM 292 NH1 ARG A 34 22.709 -5.666 -3.294 1.00 6.54 N ATOM 293 NH2 ARG A 34 23.212 -7.670 -2.510 1.00 6.70 N ATOM 0 H ARG A 34 20.316 -2.718 -2.086 1.00 0.96 H new ATOM 0 HA ARG A 34 17.743 -2.114 -1.155 1.00 1.03 H new ATOM 0 HB2 ARG A 34 17.615 -4.578 -1.289 1.00 1.40 H new ATOM 0 HB3 ARG A 34 18.525 -3.978 -2.662 1.00 1.40 H new ATOM 0 HG2 ARG A 34 20.634 -4.466 -1.070 1.00 2.24 H new ATOM 0 HG3 ARG A 34 19.512 -5.551 -0.274 1.00 2.24 H new ATOM 0 HD2 ARG A 34 19.060 -6.727 -2.387 1.00 2.84 H new ATOM 0 HD3 ARG A 34 20.015 -5.565 -3.286 1.00 2.84 H new ATOM 0 HE ARG A 34 21.029 -7.704 -1.494 1.00 4.08 H new ATOM 0 HH11 ARG A 34 22.054 -4.896 -3.432 1.00 6.54 H new ATOM 0 HH12 ARG A 34 23.656 -5.604 -3.669 1.00 6.54 H new ATOM 0 HH21 ARG A 34 22.969 -8.527 -2.012 1.00 6.70 H new ATOM 0 HH22 ARG A 34 24.146 -7.557 -2.905 1.00 6.70 H new ATOM 307 N GLU A 35 19.681 -2.426 1.285 1.00 1.21 N ATOM 308 CA GLU A 35 19.748 -2.215 2.741 1.00 1.39 C ATOM 309 C GLU A 35 19.469 -0.748 3.118 1.00 1.30 C ATOM 310 O GLU A 35 18.673 -0.483 4.021 1.00 1.40 O ATOM 311 CB GLU A 35 21.118 -2.651 3.291 1.00 1.70 C ATOM 312 CG GLU A 35 21.419 -4.150 3.119 1.00 1.94 C ATOM 313 CD GLU A 35 22.791 -4.526 3.705 1.00 2.59 C ATOM 314 OE1 GLU A 35 23.024 -4.351 4.928 1.00 3.37 O ATOM 315 OE2 GLU A 35 23.683 -4.973 2.951 1.00 3.15 O ATOM 0 H GLU A 35 20.581 -2.295 0.824 1.00 1.21 H new ATOM 0 HA GLU A 35 18.971 -2.831 3.194 1.00 1.39 H new ATOM 0 HB2 GLU A 35 21.897 -2.076 2.791 1.00 1.70 H new ATOM 0 HB3 GLU A 35 21.168 -2.401 4.351 1.00 1.70 H new ATOM 0 HG2 GLU A 35 20.641 -4.736 3.609 1.00 1.94 H new ATOM 0 HG3 GLU A 35 21.393 -4.407 2.060 1.00 1.94 H new ATOM 322 N ARG A 36 20.056 0.228 2.404 1.00 1.20 N ATOM 323 CA ARG A 36 19.775 1.667 2.610 1.00 1.22 C ATOM 324 C ARG A 36 18.329 2.028 2.272 1.00 1.05 C ATOM 325 O ARG A 36 17.714 2.790 3.021 1.00 1.25 O ATOM 326 CB ARG A 36 20.752 2.527 1.781 1.00 1.27 C ATOM 327 CG ARG A 36 22.013 2.979 2.536 1.00 1.75 C ATOM 328 CD ARG A 36 22.718 1.851 3.294 1.00 1.84 C ATOM 329 NE ARG A 36 24.043 2.263 3.778 1.00 2.13 N ATOM 330 CZ ARG A 36 25.195 1.667 3.538 1.00 2.86 C ATOM 331 NH1 ARG A 36 25.362 0.780 2.602 1.00 3.82 N ATOM 332 NH2 ARG A 36 26.214 1.986 4.273 1.00 3.23 N ATOM 0 H ARG A 36 20.738 0.046 1.668 1.00 1.20 H new ATOM 0 HA ARG A 36 19.921 1.878 3.670 1.00 1.22 H new ATOM 0 HB2 ARG A 36 21.056 1.960 0.901 1.00 1.27 H new ATOM 0 HB3 ARG A 36 20.223 3.411 1.424 1.00 1.27 H new ATOM 0 HG2 ARG A 36 22.713 3.419 1.825 1.00 1.75 H new ATOM 0 HG3 ARG A 36 21.741 3.764 3.242 1.00 1.75 H new ATOM 0 HD2 ARG A 36 22.103 1.541 4.139 1.00 1.84 H new ATOM 0 HD3 ARG A 36 22.823 0.985 2.641 1.00 1.84 H new ATOM 0 HE ARG A 36 24.075 3.099 4.362 1.00 2.13 H new ATOM 0 HH11 ARG A 36 24.578 0.512 2.007 1.00 3.82 H new ATOM 0 HH12 ARG A 36 26.277 0.352 2.462 1.00 3.82 H new ATOM 0 HH21 ARG A 36 26.112 2.681 5.013 1.00 3.23 H new ATOM 0 HH22 ARG A 36 27.118 1.542 4.112 1.00 3.23 H new ATOM 346 N CYS A 37 17.784 1.481 1.181 1.00 0.79 N ATOM 347 CA CYS A 37 16.422 1.776 0.703 1.00 0.67 C ATOM 348 C CYS A 37 15.372 0.692 1.034 1.00 0.63 C ATOM 349 O CYS A 37 14.321 0.623 0.389 1.00 0.56 O ATOM 350 CB CYS A 37 16.476 2.221 -0.768 1.00 0.58 C ATOM 351 SG CYS A 37 16.642 4.021 -0.928 1.00 0.85 S ATOM 0 H CYS A 37 18.281 0.811 0.594 1.00 0.79 H new ATOM 0 HA CYS A 37 16.037 2.618 1.278 1.00 0.67 H new ATOM 0 HB2 CYS A 37 17.316 1.734 -1.263 1.00 0.58 H new ATOM 0 HB3 CYS A 37 15.571 1.894 -1.279 1.00 0.58 H new ATOM 356 N SER A 38 15.598 -0.123 2.073 1.00 0.74 N ATOM 357 CA SER A 38 14.595 -1.068 2.607 1.00 0.77 C ATOM 358 C SER A 38 13.350 -0.381 3.199 1.00 0.78 C ATOM 359 O SER A 38 12.303 -1.015 3.345 1.00 0.82 O ATOM 360 CB SER A 38 15.245 -1.975 3.654 1.00 0.91 C ATOM 361 OG SER A 38 15.669 -1.241 4.787 1.00 2.21 O ATOM 0 H SER A 38 16.486 -0.149 2.573 1.00 0.74 H new ATOM 0 HA SER A 38 14.242 -1.657 1.761 1.00 0.77 H new ATOM 0 HB2 SER A 38 14.535 -2.743 3.962 1.00 0.91 H new ATOM 0 HB3 SER A 38 16.099 -2.489 3.212 1.00 0.91 H new ATOM 0 HG SER A 38 16.597 -0.952 4.661 1.00 2.21 H new ATOM 367 N THR A 39 13.446 0.924 3.480 1.00 0.82 N ATOM 368 CA THR A 39 12.370 1.860 3.857 1.00 0.89 C ATOM 369 C THR A 39 11.207 1.892 2.876 1.00 0.76 C ATOM 370 O THR A 39 10.047 1.839 3.290 1.00 0.78 O ATOM 371 CB THR A 39 12.932 3.291 3.900 1.00 1.10 C ATOM 372 OG1 THR A 39 13.820 3.511 2.821 1.00 2.18 O ATOM 373 CG2 THR A 39 13.741 3.491 5.161 1.00 1.63 C ATOM 0 H THR A 39 14.350 1.395 3.448 1.00 0.82 H new ATOM 0 HA THR A 39 12.004 1.509 4.822 1.00 0.89 H new ATOM 0 HB THR A 39 12.084 3.974 3.854 1.00 1.10 H new ATOM 0 HG1 THR A 39 14.166 4.427 2.864 1.00 2.18 H new ATOM 0 HG21 THR A 39 14.135 4.507 5.183 1.00 1.63 H new ATOM 0 HG22 THR A 39 13.105 3.330 6.031 1.00 1.63 H new ATOM 0 HG23 THR A 39 14.568 2.781 5.179 1.00 1.63 H new ATOM 381 N TYR A 40 11.530 1.944 1.586 1.00 0.69 N ATOM 382 CA TYR A 40 10.558 1.963 0.490 1.00 0.63 C ATOM 383 C TYR A 40 9.807 0.635 0.393 1.00 0.58 C ATOM 384 O TYR A 40 8.582 0.617 0.330 1.00 0.62 O ATOM 385 CB TYR A 40 11.260 2.214 -0.847 1.00 0.56 C ATOM 386 CG TYR A 40 11.800 3.608 -1.070 1.00 0.65 C ATOM 387 CD1 TYR A 40 12.946 4.053 -0.383 1.00 1.68 C ATOM 388 CD2 TYR A 40 11.171 4.447 -2.006 1.00 1.97 C ATOM 389 CE1 TYR A 40 13.447 5.349 -0.612 1.00 1.68 C ATOM 390 CE2 TYR A 40 11.693 5.724 -2.265 1.00 2.13 C ATOM 391 CZ TYR A 40 12.828 6.183 -1.567 1.00 1.03 C ATOM 392 OH TYR A 40 13.315 7.426 -1.812 1.00 1.28 O ATOM 0 H TYR A 40 12.497 1.975 1.264 1.00 0.69 H new ATOM 0 HA TYR A 40 9.852 2.766 0.701 1.00 0.63 H new ATOM 0 HB2 TYR A 40 12.086 1.509 -0.937 1.00 0.56 H new ATOM 0 HB3 TYR A 40 10.558 1.987 -1.650 1.00 0.56 H new ATOM 0 HD1 TYR A 40 13.441 3.400 0.320 1.00 1.68 H new ATOM 0 HD2 TYR A 40 10.287 4.109 -2.526 1.00 1.97 H new ATOM 0 HE1 TYR A 40 14.303 5.704 -0.058 1.00 1.68 H new ATOM 0 HE2 TYR A 40 11.223 6.358 -3.002 1.00 2.13 H new ATOM 0 HH TYR A 40 12.769 7.862 -2.499 1.00 1.28 H new ATOM 402 N PHE A 41 10.540 -0.483 0.440 1.00 0.54 N ATOM 403 CA PHE A 41 9.953 -1.826 0.462 1.00 0.56 C ATOM 404 C PHE A 41 9.028 -2.009 1.679 1.00 0.64 C ATOM 405 O PHE A 41 7.916 -2.523 1.548 1.00 0.73 O ATOM 406 CB PHE A 41 11.089 -2.860 0.425 1.00 0.64 C ATOM 407 CG PHE A 41 10.631 -4.297 0.582 1.00 1.68 C ATOM 408 CD1 PHE A 41 9.647 -4.826 -0.277 1.00 2.66 C ATOM 409 CD2 PHE A 41 11.180 -5.108 1.596 1.00 3.32 C ATOM 410 CE1 PHE A 41 9.193 -6.143 -0.102 1.00 3.91 C ATOM 411 CE2 PHE A 41 10.726 -6.428 1.768 1.00 4.57 C ATOM 412 CZ PHE A 41 9.723 -6.941 0.927 1.00 4.57 C ATOM 0 H PHE A 41 11.560 -0.481 0.464 1.00 0.54 H new ATOM 0 HA PHE A 41 9.323 -1.971 -0.416 1.00 0.56 H new ATOM 0 HB2 PHE A 41 11.623 -2.762 -0.520 1.00 0.64 H new ATOM 0 HB3 PHE A 41 11.800 -2.629 1.218 1.00 0.64 H new ATOM 0 HD1 PHE A 41 9.241 -4.217 -1.071 1.00 2.66 H new ATOM 0 HD2 PHE A 41 11.951 -4.715 2.242 1.00 3.32 H new ATOM 0 HE1 PHE A 41 8.435 -6.544 -0.759 1.00 3.91 H new ATOM 0 HE2 PHE A 41 11.148 -7.047 2.546 1.00 4.57 H new ATOM 0 HZ PHE A 41 9.360 -7.948 1.071 1.00 4.57 H new ATOM 422 N LEU A 42 9.427 -1.475 2.837 1.00 0.69 N ATOM 423 CA LEU A 42 8.597 -1.401 4.040 1.00 0.78 C ATOM 424 C LEU A 42 7.325 -0.573 3.825 1.00 0.80 C ATOM 425 O LEU A 42 6.232 -1.053 4.121 1.00 0.87 O ATOM 426 CB LEU A 42 9.492 -0.921 5.209 1.00 0.86 C ATOM 427 CG LEU A 42 8.802 -0.251 6.412 1.00 1.02 C ATOM 428 CD1 LEU A 42 7.856 -1.194 7.142 1.00 1.14 C ATOM 429 CD2 LEU A 42 9.855 0.228 7.413 1.00 1.11 C ATOM 0 H LEU A 42 10.356 -1.074 2.966 1.00 0.69 H new ATOM 0 HA LEU A 42 8.208 -2.387 4.296 1.00 0.78 H new ATOM 0 HB2 LEU A 42 10.050 -1.781 5.579 1.00 0.86 H new ATOM 0 HB3 LEU A 42 10.221 -0.218 4.806 1.00 0.86 H new ATOM 0 HG LEU A 42 8.223 0.583 6.015 1.00 1.02 H new ATOM 0 HD11 LEU A 42 7.397 -0.671 7.981 1.00 1.14 H new ATOM 0 HD12 LEU A 42 7.079 -1.533 6.456 1.00 1.14 H new ATOM 0 HD13 LEU A 42 8.414 -2.054 7.512 1.00 1.14 H new ATOM 0 HD21 LEU A 42 9.361 0.701 8.262 1.00 1.11 H new ATOM 0 HD22 LEU A 42 10.440 -0.623 7.762 1.00 1.11 H new ATOM 0 HD23 LEU A 42 10.515 0.948 6.930 1.00 1.11 H new ATOM 441 N ARG A 43 7.412 0.622 3.238 1.00 0.78 N ATOM 442 CA ARG A 43 6.223 1.442 2.967 1.00 0.83 C ATOM 443 C ARG A 43 5.319 0.849 1.872 1.00 0.84 C ATOM 444 O ARG A 43 4.103 1.032 1.912 1.00 0.93 O ATOM 445 CB ARG A 43 6.674 2.889 2.718 1.00 0.88 C ATOM 446 CG ARG A 43 5.489 3.850 2.802 1.00 2.20 C ATOM 447 CD ARG A 43 5.927 5.311 2.939 1.00 2.20 C ATOM 448 NE ARG A 43 4.772 6.212 3.127 1.00 3.43 N ATOM 449 CZ ARG A 43 4.367 7.184 2.331 1.00 4.49 C ATOM 450 NH1 ARG A 43 4.817 7.360 1.126 1.00 4.88 N ATOM 451 NH2 ARG A 43 3.455 8.019 2.732 1.00 5.70 N ATOM 0 H ARG A 43 8.291 1.046 2.940 1.00 0.78 H new ATOM 0 HA ARG A 43 5.570 1.444 3.840 1.00 0.83 H new ATOM 0 HB2 ARG A 43 7.429 3.171 3.452 1.00 0.88 H new ATOM 0 HB3 ARG A 43 7.141 2.965 1.736 1.00 0.88 H new ATOM 0 HG2 ARG A 43 4.873 3.741 1.909 1.00 2.20 H new ATOM 0 HG3 ARG A 43 4.866 3.580 3.654 1.00 2.20 H new ATOM 0 HD2 ARG A 43 6.607 5.409 3.785 1.00 2.20 H new ATOM 0 HD3 ARG A 43 6.481 5.610 2.049 1.00 2.20 H new ATOM 0 HE ARG A 43 4.221 6.066 3.973 1.00 3.43 H new ATOM 0 HH11 ARG A 43 5.522 6.728 0.748 1.00 4.88 H new ATOM 0 HH12 ARG A 43 4.465 8.130 0.558 1.00 4.88 H new ATOM 0 HH21 ARG A 43 3.051 7.924 3.664 1.00 5.70 H new ATOM 0 HH22 ARG A 43 3.144 8.769 2.115 1.00 5.70 H new ATOM 465 N TYR A 44 5.879 0.031 0.980 1.00 0.77 N ATOM 466 CA TYR A 44 5.141 -0.750 -0.027 1.00 0.79 C ATOM 467 C TYR A 44 4.376 -1.903 0.642 1.00 0.84 C ATOM 468 O TYR A 44 3.197 -2.126 0.350 1.00 0.90 O ATOM 469 CB TYR A 44 6.133 -1.197 -1.117 1.00 0.76 C ATOM 470 CG TYR A 44 5.776 -2.386 -1.993 1.00 0.80 C ATOM 471 CD1 TYR A 44 5.934 -3.699 -1.502 1.00 2.28 C ATOM 472 CD2 TYR A 44 5.447 -2.182 -3.346 1.00 1.81 C ATOM 473 CE1 TYR A 44 5.753 -4.801 -2.359 1.00 2.63 C ATOM 474 CE2 TYR A 44 5.303 -3.282 -4.218 1.00 1.74 C ATOM 475 CZ TYR A 44 5.458 -4.598 -3.722 1.00 1.45 C ATOM 476 OH TYR A 44 5.346 -5.674 -4.548 1.00 1.86 O ATOM 0 H TYR A 44 6.887 -0.114 0.933 1.00 0.77 H new ATOM 0 HA TYR A 44 4.375 -0.146 -0.514 1.00 0.79 H new ATOM 0 HB2 TYR A 44 6.307 -0.345 -1.774 1.00 0.76 H new ATOM 0 HB3 TYR A 44 7.081 -1.421 -0.628 1.00 0.76 H new ATOM 0 HD1 TYR A 44 6.194 -3.859 -0.466 1.00 2.28 H new ATOM 0 HD2 TYR A 44 5.304 -1.179 -3.719 1.00 1.81 H new ATOM 0 HE1 TYR A 44 5.840 -5.805 -1.971 1.00 2.63 H new ATOM 0 HE2 TYR A 44 5.075 -3.120 -5.261 1.00 1.74 H new ATOM 0 HH TYR A 44 5.139 -5.369 -5.456 1.00 1.86 H new ATOM 486 N LYS A 45 5.005 -2.559 1.623 1.00 0.86 N ATOM 487 CA LYS A 45 4.382 -3.573 2.477 1.00 0.91 C ATOM 488 C LYS A 45 3.276 -2.980 3.357 1.00 0.95 C ATOM 489 O LYS A 45 2.177 -3.522 3.366 1.00 1.05 O ATOM 490 CB LYS A 45 5.489 -4.277 3.275 1.00 1.00 C ATOM 491 CG LYS A 45 4.942 -5.459 4.082 1.00 1.64 C ATOM 492 CD LYS A 45 6.061 -6.276 4.733 1.00 1.62 C ATOM 493 CE LYS A 45 6.856 -5.487 5.781 1.00 3.57 C ATOM 494 NZ LYS A 45 7.929 -6.324 6.354 1.00 3.85 N ATOM 0 H LYS A 45 5.986 -2.395 1.850 1.00 0.86 H new ATOM 0 HA LYS A 45 3.873 -4.317 1.865 1.00 0.91 H new ATOM 0 HB2 LYS A 45 6.262 -4.629 2.592 1.00 1.00 H new ATOM 0 HB3 LYS A 45 5.961 -3.563 3.950 1.00 1.00 H new ATOM 0 HG2 LYS A 45 4.267 -5.089 4.854 1.00 1.64 H new ATOM 0 HG3 LYS A 45 4.356 -6.104 3.428 1.00 1.64 H new ATOM 0 HD2 LYS A 45 5.630 -7.160 5.203 1.00 1.62 H new ATOM 0 HD3 LYS A 45 6.743 -6.628 3.959 1.00 1.62 H new ATOM 0 HE2 LYS A 45 7.287 -4.596 5.324 1.00 3.57 H new ATOM 0 HE3 LYS A 45 6.188 -5.148 6.573 1.00 3.57 H new ATOM 0 HZ1 LYS A 45 8.457 -5.775 7.062 1.00 3.85 H new ATOM 0 HZ2 LYS A 45 7.511 -7.162 6.807 1.00 3.85 H new ATOM 0 HZ3 LYS A 45 8.575 -6.626 5.597 1.00 3.85 H new ATOM 508 N ASN A 46 3.499 -1.834 4.009 1.00 0.94 N ATOM 509 CA ASN A 46 2.474 -1.125 4.793 1.00 0.99 C ATOM 510 C ASN A 46 1.237 -0.772 3.949 1.00 1.03 C ATOM 511 O ASN A 46 0.104 -0.982 4.389 1.00 1.08 O ATOM 512 CB ASN A 46 3.048 0.208 5.321 1.00 1.00 C ATOM 513 CG ASN A 46 4.221 0.152 6.278 1.00 1.04 C ATOM 514 OD1 ASN A 46 4.549 -0.860 6.885 1.00 1.09 O ATOM 515 ND2 ASN A 46 4.851 1.294 6.423 1.00 1.09 N ATOM 0 H ASN A 46 4.405 -1.365 4.009 1.00 0.94 H new ATOM 0 HA ASN A 46 2.185 -1.795 5.603 1.00 0.99 H new ATOM 0 HB2 ASN A 46 3.348 0.806 4.460 1.00 1.00 H new ATOM 0 HB3 ASN A 46 2.240 0.746 5.816 1.00 1.00 H new ATOM 0 HD21 ASN A 46 5.645 1.361 7.060 1.00 1.09 H new ATOM 0 HD22 ASN A 46 4.547 2.114 5.899 1.00 1.09 H new ATOM 522 N CYS A 47 1.463 -0.253 2.739 1.00 1.09 N ATOM 523 CA CYS A 47 0.450 0.145 1.772 1.00 1.21 C ATOM 524 C CYS A 47 -0.485 -1.014 1.408 1.00 1.27 C ATOM 525 O CYS A 47 -1.702 -0.900 1.569 1.00 1.51 O ATOM 526 CB CYS A 47 1.227 0.691 0.567 1.00 1.31 C ATOM 527 SG CYS A 47 0.365 0.986 -0.992 1.00 1.62 S ATOM 0 H CYS A 47 2.410 -0.093 2.395 1.00 1.09 H new ATOM 0 HA CYS A 47 -0.218 0.905 2.177 1.00 1.21 H new ATOM 0 HB2 CYS A 47 1.681 1.634 0.872 1.00 1.31 H new ATOM 0 HB3 CYS A 47 2.042 -0.004 0.363 1.00 1.31 H new ATOM 532 N ARG A 48 0.071 -2.164 1.003 1.00 1.16 N ATOM 533 CA ARG A 48 -0.735 -3.336 0.652 1.00 1.28 C ATOM 534 C ARG A 48 -1.263 -4.092 1.872 1.00 1.00 C ATOM 535 O ARG A 48 -2.379 -4.598 1.817 1.00 0.87 O ATOM 536 CB ARG A 48 0.021 -4.168 -0.387 1.00 1.76 C ATOM 537 CG ARG A 48 1.223 -4.963 0.141 1.00 1.26 C ATOM 538 CD ARG A 48 0.766 -6.359 0.584 1.00 2.49 C ATOM 539 NE ARG A 48 1.890 -7.264 0.880 1.00 3.27 N ATOM 540 CZ ARG A 48 2.765 -7.786 0.039 1.00 3.87 C ATOM 541 NH1 ARG A 48 2.721 -7.604 -1.251 1.00 4.14 N ATOM 542 NH2 ARG A 48 3.720 -8.523 0.521 1.00 4.80 N ATOM 0 H ARG A 48 1.077 -2.305 0.911 1.00 1.16 H new ATOM 0 HA ARG A 48 -1.663 -3.020 0.176 1.00 1.28 H new ATOM 0 HB2 ARG A 48 -0.679 -4.866 -0.845 1.00 1.76 H new ATOM 0 HB3 ARG A 48 0.369 -3.501 -1.176 1.00 1.76 H new ATOM 0 HG2 ARG A 48 1.984 -5.048 -0.635 1.00 1.26 H new ATOM 0 HG3 ARG A 48 1.680 -4.436 0.979 1.00 1.26 H new ATOM 0 HD2 ARG A 48 0.138 -6.266 1.470 1.00 2.49 H new ATOM 0 HD3 ARG A 48 0.149 -6.799 -0.199 1.00 2.49 H new ATOM 0 HE ARG A 48 2.008 -7.521 1.860 1.00 3.27 H new ATOM 0 HH11 ARG A 48 1.982 -7.032 -1.660 1.00 4.14 H new ATOM 0 HH12 ARG A 48 3.425 -8.033 -1.851 1.00 4.14 H new ATOM 0 HH21 ARG A 48 3.781 -8.686 1.526 1.00 4.80 H new ATOM 0 HH22 ARG A 48 4.409 -8.939 -0.106 1.00 4.80 H new ATOM 556 N ARG A 49 -0.551 -4.097 3.011 1.00 0.98 N ATOM 557 CA ARG A 49 -1.053 -4.667 4.278 1.00 0.89 C ATOM 558 C ARG A 49 -2.320 -3.953 4.748 1.00 0.74 C ATOM 559 O ARG A 49 -3.240 -4.637 5.199 1.00 0.68 O ATOM 560 CB ARG A 49 0.028 -4.667 5.379 1.00 0.91 C ATOM 561 CG ARG A 49 -0.488 -5.358 6.662 1.00 0.94 C ATOM 562 CD ARG A 49 0.513 -5.449 7.816 1.00 1.09 C ATOM 563 NE ARG A 49 1.060 -4.135 8.181 1.00 2.00 N ATOM 564 CZ ARG A 49 2.265 -3.675 7.911 1.00 3.15 C ATOM 565 NH1 ARG A 49 3.152 -4.358 7.248 1.00 3.53 N ATOM 566 NH2 ARG A 49 2.609 -2.484 8.297 1.00 4.73 N ATOM 0 H ARG A 49 0.389 -3.707 3.082 1.00 0.98 H new ATOM 0 HA ARG A 49 -1.311 -5.707 4.079 1.00 0.89 H new ATOM 0 HB2 ARG A 49 0.919 -5.180 5.018 1.00 0.91 H new ATOM 0 HB3 ARG A 49 0.321 -3.642 5.606 1.00 0.91 H new ATOM 0 HG2 ARG A 49 -1.370 -4.821 7.012 1.00 0.94 H new ATOM 0 HG3 ARG A 49 -0.810 -6.367 6.405 1.00 0.94 H new ATOM 0 HD2 ARG A 49 0.025 -5.891 8.684 1.00 1.09 H new ATOM 0 HD3 ARG A 49 1.329 -6.115 7.535 1.00 1.09 H new ATOM 0 HE ARG A 49 0.440 -3.512 8.699 1.00 2.00 H new ATOM 0 HH11 ARG A 49 2.928 -5.294 6.912 1.00 3.53 H new ATOM 0 HH12 ARG A 49 4.072 -3.957 7.065 1.00 3.53 H new ATOM 0 HH21 ARG A 49 1.946 -1.903 8.810 1.00 4.73 H new ATOM 0 HH22 ARG A 49 3.542 -2.130 8.087 1.00 4.73 H new ATOM 580 N PHE A 50 -2.396 -2.627 4.599 1.00 0.72 N ATOM 581 CA PHE A 50 -3.578 -1.849 4.992 1.00 0.60 C ATOM 582 C PHE A 50 -4.805 -2.289 4.200 1.00 0.54 C ATOM 583 O PHE A 50 -5.811 -2.728 4.760 1.00 0.44 O ATOM 584 CB PHE A 50 -3.336 -0.352 4.758 1.00 0.65 C ATOM 585 CG PHE A 50 -4.503 0.509 5.203 1.00 0.60 C ATOM 586 CD1 PHE A 50 -4.642 0.870 6.558 1.00 2.17 C ATOM 587 CD2 PHE A 50 -5.464 0.937 4.266 1.00 1.70 C ATOM 588 CE1 PHE A 50 -5.729 1.663 6.969 1.00 2.29 C ATOM 589 CE2 PHE A 50 -6.556 1.720 4.680 1.00 1.59 C ATOM 590 CZ PHE A 50 -6.688 2.084 6.031 1.00 0.73 C ATOM 0 H PHE A 50 -1.643 -2.063 4.204 1.00 0.72 H new ATOM 0 HA PHE A 50 -3.756 -2.027 6.053 1.00 0.60 H new ATOM 0 HB2 PHE A 50 -2.439 -0.045 5.295 1.00 0.65 H new ATOM 0 HB3 PHE A 50 -3.147 -0.180 3.698 1.00 0.65 H new ATOM 0 HD1 PHE A 50 -3.913 0.537 7.282 1.00 2.17 H new ATOM 0 HD2 PHE A 50 -5.362 0.663 3.226 1.00 1.70 H new ATOM 0 HE1 PHE A 50 -5.827 1.949 8.006 1.00 2.29 H new ATOM 0 HE2 PHE A 50 -7.294 2.042 3.960 1.00 1.59 H new ATOM 0 HZ PHE A 50 -7.526 2.687 6.349 1.00 0.73 H new ATOM 600 N TRP A 51 -4.690 -2.229 2.874 1.00 0.63 N ATOM 601 CA TRP A 51 -5.776 -2.618 1.981 1.00 0.59 C ATOM 602 C TRP A 51 -6.126 -4.111 2.094 1.00 0.57 C ATOM 603 O TRP A 51 -7.307 -4.442 2.066 1.00 0.51 O ATOM 604 CB TRP A 51 -5.461 -2.141 0.561 1.00 0.66 C ATOM 605 CG TRP A 51 -5.514 -0.644 0.396 1.00 0.66 C ATOM 606 CD1 TRP A 51 -4.488 0.165 0.035 1.00 0.74 C ATOM 607 CD2 TRP A 51 -6.653 0.251 0.620 1.00 0.61 C ATOM 608 NE1 TRP A 51 -4.932 1.470 -0.063 1.00 0.74 N ATOM 609 CE2 TRP A 51 -6.240 1.586 0.338 1.00 0.66 C ATOM 610 CE3 TRP A 51 -7.988 0.079 1.051 1.00 0.60 C ATOM 611 CZ2 TRP A 51 -7.093 2.687 0.474 1.00 0.68 C ATOM 612 CZ3 TRP A 51 -8.848 1.183 1.219 1.00 0.66 C ATOM 613 CH2 TRP A 51 -8.402 2.487 0.939 1.00 0.70 C ATOM 0 H TRP A 51 -3.848 -1.912 2.393 1.00 0.63 H new ATOM 0 HA TRP A 51 -6.695 -2.119 2.289 1.00 0.59 H new ATOM 0 HB2 TRP A 51 -4.468 -2.493 0.282 1.00 0.66 H new ATOM 0 HB3 TRP A 51 -6.168 -2.599 -0.131 1.00 0.66 H new ATOM 0 HD1 TRP A 51 -3.475 -0.161 -0.149 1.00 0.74 H new ATOM 0 HE1 TRP A 51 -4.360 2.248 -0.392 1.00 0.74 H new ATOM 0 HE3 TRP A 51 -8.356 -0.916 1.255 1.00 0.60 H new ATOM 0 HZ2 TRP A 51 -6.748 3.679 0.224 1.00 0.68 H new ATOM 0 HZ3 TRP A 51 -9.859 1.026 1.566 1.00 0.66 H new ATOM 0 HH2 TRP A 51 -9.063 3.329 1.081 1.00 0.70 H new ATOM 624 N ASN A 52 -5.167 -4.997 2.379 1.00 0.65 N ATOM 625 CA ASN A 52 -5.423 -6.395 2.727 1.00 0.66 C ATOM 626 C ASN A 52 -6.201 -6.556 4.055 1.00 0.57 C ATOM 627 O ASN A 52 -7.080 -7.412 4.150 1.00 0.58 O ATOM 628 CB ASN A 52 -4.068 -7.127 2.743 1.00 0.81 C ATOM 629 CG ASN A 52 -3.517 -7.449 1.358 1.00 1.17 C ATOM 630 OD1 ASN A 52 -4.103 -7.154 0.322 1.00 1.76 O ATOM 631 ND2 ASN A 52 -2.378 -8.095 1.293 1.00 1.24 N ATOM 0 H ASN A 52 -4.176 -4.758 2.374 1.00 0.65 H new ATOM 0 HA ASN A 52 -6.078 -6.841 1.979 1.00 0.66 H new ATOM 0 HB2 ASN A 52 -3.342 -6.514 3.277 1.00 0.81 H new ATOM 0 HB3 ASN A 52 -4.175 -8.055 3.304 1.00 0.81 H new ATOM 0 HD21 ASN A 52 -1.986 -8.348 0.386 1.00 1.24 H new ATOM 0 HD22 ASN A 52 -1.884 -8.344 2.150 1.00 1.24 H new ATOM 638 N SER A 53 -5.963 -5.711 5.066 1.00 0.51 N ATOM 639 CA SER A 53 -6.806 -5.672 6.272 1.00 0.47 C ATOM 640 C SER A 53 -8.224 -5.172 5.975 1.00 0.40 C ATOM 641 O SER A 53 -9.180 -5.743 6.491 1.00 0.40 O ATOM 642 CB SER A 53 -6.183 -4.816 7.380 1.00 0.48 C ATOM 643 OG SER A 53 -5.006 -5.420 7.894 1.00 1.23 O ATOM 0 H SER A 53 -5.192 -5.043 5.074 1.00 0.51 H new ATOM 0 HA SER A 53 -6.871 -6.703 6.620 1.00 0.47 H new ATOM 0 HB2 SER A 53 -5.946 -3.826 6.989 1.00 0.48 H new ATOM 0 HB3 SER A 53 -6.905 -4.677 8.185 1.00 0.48 H new ATOM 0 HG SER A 53 -4.279 -5.324 7.244 1.00 1.23 H new ATOM 649 N ILE A 54 -8.399 -4.173 5.099 1.00 0.36 N ATOM 650 CA ILE A 54 -9.732 -3.717 4.660 1.00 0.33 C ATOM 651 C ILE A 54 -10.463 -4.815 3.874 1.00 0.39 C ATOM 652 O ILE A 54 -11.656 -5.031 4.075 1.00 0.46 O ATOM 653 CB ILE A 54 -9.596 -2.411 3.846 1.00 0.37 C ATOM 654 CG1 ILE A 54 -9.020 -1.254 4.696 1.00 0.43 C ATOM 655 CG2 ILE A 54 -10.920 -1.987 3.186 1.00 0.42 C ATOM 656 CD1 ILE A 54 -9.874 -0.822 5.897 1.00 0.47 C ATOM 0 H ILE A 54 -7.627 -3.658 4.675 1.00 0.36 H new ATOM 0 HA ILE A 54 -10.342 -3.505 5.538 1.00 0.33 H new ATOM 0 HB ILE A 54 -8.886 -2.630 3.048 1.00 0.37 H new ATOM 0 HG12 ILE A 54 -8.036 -1.550 5.061 1.00 0.43 H new ATOM 0 HG13 ILE A 54 -8.873 -0.390 4.048 1.00 0.43 H new ATOM 0 HG21 ILE A 54 -10.768 -1.064 2.627 1.00 0.42 H new ATOM 0 HG22 ILE A 54 -11.256 -2.771 2.508 1.00 0.42 H new ATOM 0 HG23 ILE A 54 -11.675 -1.825 3.956 1.00 0.42 H new ATOM 0 HD11 ILE A 54 -9.377 -0.006 6.422 1.00 0.47 H new ATOM 0 HD12 ILE A 54 -10.851 -0.487 5.547 1.00 0.47 H new ATOM 0 HD13 ILE A 54 -10.001 -1.666 6.575 1.00 0.47 H new ATOM 668 N VAL A 55 -9.740 -5.576 3.051 1.00 0.43 N ATOM 669 CA VAL A 55 -10.248 -6.787 2.388 1.00 0.52 C ATOM 670 C VAL A 55 -10.749 -7.795 3.423 1.00 0.53 C ATOM 671 O VAL A 55 -11.886 -8.243 3.314 1.00 0.58 O ATOM 672 CB VAL A 55 -9.177 -7.380 1.449 1.00 0.61 C ATOM 673 CG1 VAL A 55 -9.426 -8.830 1.020 1.00 0.70 C ATOM 674 CG2 VAL A 55 -9.065 -6.518 0.189 1.00 0.66 C ATOM 0 H VAL A 55 -8.768 -5.368 2.820 1.00 0.43 H new ATOM 0 HA VAL A 55 -11.102 -6.522 1.765 1.00 0.52 H new ATOM 0 HB VAL A 55 -8.255 -7.382 2.031 1.00 0.61 H new ATOM 0 HG11 VAL A 55 -8.621 -9.158 0.362 1.00 0.70 H new ATOM 0 HG12 VAL A 55 -9.458 -9.470 1.902 1.00 0.70 H new ATOM 0 HG13 VAL A 55 -10.377 -8.895 0.490 1.00 0.70 H new ATOM 0 HG21 VAL A 55 -8.308 -6.938 -0.473 1.00 0.66 H new ATOM 0 HG22 VAL A 55 -10.026 -6.498 -0.325 1.00 0.66 H new ATOM 0 HG23 VAL A 55 -8.781 -5.503 0.467 1.00 0.66 H new ATOM 684 N MET A 56 -9.985 -8.087 4.483 1.00 0.53 N ATOM 685 CA MET A 56 -10.437 -8.983 5.561 1.00 0.59 C ATOM 686 C MET A 56 -11.633 -8.430 6.362 1.00 0.58 C ATOM 687 O MET A 56 -12.535 -9.191 6.727 1.00 0.67 O ATOM 688 CB MET A 56 -9.268 -9.325 6.498 1.00 0.65 C ATOM 689 CG MET A 56 -8.214 -10.222 5.828 1.00 0.79 C ATOM 690 SD MET A 56 -8.795 -11.801 5.133 1.00 1.67 S ATOM 691 CE MET A 56 -9.281 -12.694 6.634 1.00 2.35 C ATOM 0 H MET A 56 -9.045 -7.715 4.620 1.00 0.53 H new ATOM 0 HA MET A 56 -10.793 -9.892 5.076 1.00 0.59 H new ATOM 0 HB2 MET A 56 -8.794 -8.402 6.833 1.00 0.65 H new ATOM 0 HB3 MET A 56 -9.654 -9.826 7.386 1.00 0.65 H new ATOM 0 HG2 MET A 56 -7.744 -9.652 5.027 1.00 0.79 H new ATOM 0 HG3 MET A 56 -7.438 -10.440 6.562 1.00 0.79 H new ATOM 0 HE1 MET A 56 -9.658 -13.681 6.364 1.00 2.35 H new ATOM 0 HE2 MET A 56 -8.417 -12.802 7.289 1.00 2.35 H new ATOM 0 HE3 MET A 56 -10.061 -12.137 7.152 1.00 2.35 H new ATOM 701 N GLN A 57 -11.694 -7.117 6.593 1.00 0.51 N ATOM 702 CA GLN A 57 -12.813 -6.428 7.255 1.00 0.57 C ATOM 703 C GLN A 57 -14.079 -6.333 6.373 1.00 0.61 C ATOM 704 O GLN A 57 -15.189 -6.238 6.899 1.00 0.75 O ATOM 705 CB GLN A 57 -12.350 -5.042 7.744 1.00 0.55 C ATOM 706 CG GLN A 57 -11.792 -5.000 9.180 1.00 0.71 C ATOM 707 CD GLN A 57 -10.488 -5.760 9.430 1.00 1.43 C ATOM 708 OE1 GLN A 57 -9.427 -5.169 9.600 1.00 3.38 O ATOM 709 NE2 GLN A 57 -10.522 -7.067 9.577 1.00 1.38 N ATOM 0 H GLN A 57 -10.945 -6.481 6.318 1.00 0.51 H new ATOM 0 HA GLN A 57 -13.109 -7.030 8.114 1.00 0.57 H new ATOM 0 HB2 GLN A 57 -11.583 -4.673 7.063 1.00 0.55 H new ATOM 0 HB3 GLN A 57 -13.192 -4.353 7.679 1.00 0.55 H new ATOM 0 HG2 GLN A 57 -11.636 -3.957 9.455 1.00 0.71 H new ATOM 0 HG3 GLN A 57 -12.552 -5.397 9.853 1.00 0.71 H new ATOM 0 HE21 GLN A 57 -11.397 -7.573 9.439 1.00 1.38 H new ATOM 0 HE22 GLN A 57 -9.674 -7.574 9.829 1.00 1.38 H new ATOM 718 N ARG A 58 -13.957 -6.459 5.044 1.00 0.58 N ATOM 719 CA ARG A 58 -15.082 -6.700 4.114 1.00 0.67 C ATOM 720 C ARG A 58 -15.430 -8.188 3.975 1.00 0.71 C ATOM 721 O ARG A 58 -16.600 -8.556 3.846 1.00 0.80 O ATOM 722 CB ARG A 58 -14.788 -6.002 2.773 1.00 0.70 C ATOM 723 CG ARG A 58 -14.990 -4.486 2.921 1.00 0.76 C ATOM 724 CD ARG A 58 -14.572 -3.683 1.681 1.00 1.14 C ATOM 725 NE ARG A 58 -15.282 -2.392 1.556 1.00 1.08 N ATOM 726 CZ ARG A 58 -15.360 -1.384 2.408 1.00 1.41 C ATOM 727 NH1 ARG A 58 -14.774 -1.311 3.564 1.00 2.43 N ATOM 728 NH2 ARG A 58 -16.079 -0.359 2.091 1.00 1.54 N ATOM 0 H ARG A 58 -13.056 -6.396 4.570 1.00 0.58 H new ATOM 0 HA ARG A 58 -15.988 -6.258 4.530 1.00 0.67 H new ATOM 0 HB2 ARG A 58 -13.766 -6.213 2.459 1.00 0.70 H new ATOM 0 HB3 ARG A 58 -15.447 -6.392 1.997 1.00 0.70 H new ATOM 0 HG2 ARG A 58 -16.040 -4.288 3.134 1.00 0.76 H new ATOM 0 HG3 ARG A 58 -14.419 -4.135 3.780 1.00 0.76 H new ATOM 0 HD2 ARG A 58 -13.499 -3.497 1.721 1.00 1.14 H new ATOM 0 HD3 ARG A 58 -14.759 -4.281 0.789 1.00 1.14 H new ATOM 0 HE ARG A 58 -15.788 -2.259 0.680 1.00 1.08 H new ATOM 0 HH11 ARG A 58 -14.188 -2.080 3.888 1.00 2.43 H new ATOM 0 HH12 ARG A 58 -14.900 -0.484 4.148 1.00 2.43 H new ATOM 0 HH21 ARG A 58 -16.572 -0.339 1.199 1.00 1.54 H new ATOM 0 HH22 ARG A 58 -16.153 0.430 2.733 1.00 1.54 H new ATOM 742 N ARG A 59 -14.434 -9.066 4.104 1.00 0.68 N ATOM 743 CA ARG A 59 -14.576 -10.530 4.015 1.00 0.76 C ATOM 744 C ARG A 59 -15.300 -11.139 5.218 1.00 0.86 C ATOM 745 O ARG A 59 -15.898 -12.200 5.059 1.00 0.97 O ATOM 746 CB ARG A 59 -13.209 -11.173 3.709 1.00 0.78 C ATOM 747 CG ARG A 59 -13.320 -12.671 3.392 1.00 0.91 C ATOM 748 CD ARG A 59 -12.034 -13.235 2.776 1.00 1.05 C ATOM 749 NE ARG A 59 -12.132 -14.696 2.584 1.00 1.43 N ATOM 750 CZ ARG A 59 -11.260 -15.473 1.970 1.00 1.88 C ATOM 751 NH1 ARG A 59 -10.188 -15.014 1.391 1.00 1.99 N ATOM 752 NH2 ARG A 59 -11.461 -16.754 1.940 1.00 2.44 N ATOM 0 H ARG A 59 -13.473 -8.773 4.279 1.00 0.68 H new ATOM 0 HA ARG A 59 -15.235 -10.760 3.178 1.00 0.76 H new ATOM 0 HB2 ARG A 59 -12.751 -10.659 2.864 1.00 0.78 H new ATOM 0 HB3 ARG A 59 -12.547 -11.034 4.563 1.00 0.78 H new ATOM 0 HG2 ARG A 59 -13.551 -13.217 4.307 1.00 0.91 H new ATOM 0 HG3 ARG A 59 -14.150 -12.834 2.705 1.00 0.91 H new ATOM 0 HD2 ARG A 59 -11.844 -12.751 1.818 1.00 1.05 H new ATOM 0 HD3 ARG A 59 -11.187 -13.006 3.423 1.00 1.05 H new ATOM 0 HE ARG A 59 -12.960 -15.152 2.966 1.00 1.43 H new ATOM 0 HH11 ARG A 59 -9.993 -14.013 1.400 1.00 1.99 H new ATOM 0 HH12 ARG A 59 -9.544 -15.655 0.929 1.00 1.99 H new ATOM 0 HH21 ARG A 59 -12.287 -17.151 2.388 1.00 2.44 H new ATOM 0 HH22 ARG A 59 -10.793 -17.364 1.468 1.00 2.44 H new ATOM 766 N LYS A 60 -15.400 -10.440 6.359 1.00 0.87 N ATOM 767 CA LYS A 60 -16.259 -10.854 7.493 1.00 1.03 C ATOM 768 C LYS A 60 -17.728 -11.082 7.109 1.00 1.13 C ATOM 769 O LYS A 60 -18.378 -11.950 7.690 1.00 1.26 O ATOM 770 CB LYS A 60 -16.125 -9.875 8.674 1.00 1.12 C ATOM 771 CG LYS A 60 -16.895 -8.553 8.530 1.00 1.14 C ATOM 772 CD LYS A 60 -16.587 -7.599 9.696 1.00 1.30 C ATOM 773 CE LYS A 60 -17.177 -6.204 9.457 1.00 1.38 C ATOM 774 NZ LYS A 60 -17.034 -5.319 10.639 1.00 1.70 N ATOM 0 H LYS A 60 -14.891 -9.572 6.527 1.00 0.87 H new ATOM 0 HA LYS A 60 -15.890 -11.830 7.809 1.00 1.03 H new ATOM 0 HB2 LYS A 60 -16.466 -10.377 9.579 1.00 1.12 H new ATOM 0 HB3 LYS A 60 -15.069 -9.646 8.815 1.00 1.12 H new ATOM 0 HG2 LYS A 60 -16.630 -8.076 7.587 1.00 1.14 H new ATOM 0 HG3 LYS A 60 -17.966 -8.755 8.495 1.00 1.14 H new ATOM 0 HD2 LYS A 60 -16.991 -8.012 10.620 1.00 1.30 H new ATOM 0 HD3 LYS A 60 -15.508 -7.520 9.827 1.00 1.30 H new ATOM 0 HE2 LYS A 60 -16.682 -5.745 8.601 1.00 1.38 H new ATOM 0 HE3 LYS A 60 -18.233 -6.298 9.202 1.00 1.38 H new ATOM 0 HZ1 LYS A 60 -17.448 -4.388 10.428 1.00 1.70 H new ATOM 0 HZ2 LYS A 60 -17.528 -5.741 11.451 1.00 1.70 H new ATOM 0 HZ3 LYS A 60 -16.026 -5.206 10.868 1.00 1.70 H new ATOM 788 N ASN A 61 -18.234 -10.364 6.099 1.00 1.11 N ATOM 789 CA ASN A 61 -19.573 -10.572 5.532 1.00 1.26 C ATOM 790 C ASN A 61 -19.594 -11.421 4.241 1.00 1.24 C ATOM 791 O ASN A 61 -20.645 -11.915 3.835 1.00 1.38 O ATOM 792 CB ASN A 61 -20.240 -9.205 5.341 1.00 1.40 C ATOM 793 CG ASN A 61 -20.713 -8.647 6.668 1.00 1.71 C ATOM 794 OD1 ASN A 61 -21.661 -9.129 7.274 1.00 2.03 O ATOM 795 ND2 ASN A 61 -20.025 -7.659 7.173 1.00 1.80 N ATOM 0 H ASN A 61 -17.717 -9.611 5.645 1.00 1.11 H new ATOM 0 HA ASN A 61 -20.145 -11.170 6.241 1.00 1.26 H new ATOM 0 HB2 ASN A 61 -19.535 -8.513 4.881 1.00 1.40 H new ATOM 0 HB3 ASN A 61 -21.085 -9.300 4.659 1.00 1.40 H new ATOM 0 HD21 ASN A 61 -20.275 -7.278 8.085 1.00 1.80 H new ATOM 0 HD22 ASN A 61 -19.238 -7.269 6.655 1.00 1.80 H new ATOM 802 N GLY A 62 -18.443 -11.602 3.586 1.00 1.15 N ATOM 803 CA GLY A 62 -18.230 -12.620 2.546 1.00 1.25 C ATOM 804 C GLY A 62 -18.892 -12.346 1.186 1.00 1.41 C ATOM 805 O GLY A 62 -18.855 -13.210 0.311 1.00 1.75 O ATOM 0 H GLY A 62 -17.615 -11.035 3.766 1.00 1.15 H new ATOM 0 HA2 GLY A 62 -17.157 -12.731 2.389 1.00 1.25 H new ATOM 0 HA3 GLY A 62 -18.598 -13.575 2.920 1.00 1.25 H new ATOM 809 N VAL A 63 -19.504 -11.175 1.001 1.00 1.30 N ATOM 810 CA VAL A 63 -20.580 -10.942 0.012 1.00 1.54 C ATOM 811 C VAL A 63 -20.186 -10.102 -1.214 1.00 1.56 C ATOM 812 O VAL A 63 -20.532 -10.466 -2.336 1.00 1.92 O ATOM 813 CB VAL A 63 -21.815 -10.374 0.746 1.00 1.70 C ATOM 814 CG1 VAL A 63 -21.529 -9.071 1.516 1.00 1.61 C ATOM 815 CG2 VAL A 63 -23.006 -10.161 -0.191 1.00 2.05 C ATOM 0 H VAL A 63 -19.268 -10.342 1.540 1.00 1.30 H new ATOM 0 HA VAL A 63 -20.815 -11.910 -0.431 1.00 1.54 H new ATOM 0 HB VAL A 63 -22.072 -11.141 1.476 1.00 1.70 H new ATOM 0 HG11 VAL A 63 -22.441 -8.730 2.006 1.00 1.61 H new ATOM 0 HG12 VAL A 63 -20.760 -9.253 2.267 1.00 1.61 H new ATOM 0 HG13 VAL A 63 -21.183 -8.306 0.821 1.00 1.61 H new ATOM 0 HG21 VAL A 63 -23.847 -9.761 0.375 1.00 2.05 H new ATOM 0 HG22 VAL A 63 -22.730 -9.458 -0.977 1.00 2.05 H new ATOM 0 HG23 VAL A 63 -23.291 -11.113 -0.640 1.00 2.05 H new ATOM 825 N LYS A 64 -19.457 -8.998 -1.026 1.00 1.35 N ATOM 826 CA LYS A 64 -19.069 -8.033 -2.079 1.00 1.40 C ATOM 827 C LYS A 64 -17.690 -8.332 -2.686 1.00 1.35 C ATOM 828 O LYS A 64 -16.945 -9.132 -2.111 1.00 1.27 O ATOM 829 CB LYS A 64 -19.143 -6.604 -1.494 1.00 1.47 C ATOM 830 CG LYS A 64 -18.282 -6.382 -0.233 1.00 1.34 C ATOM 831 CD LYS A 64 -17.966 -4.900 0.029 1.00 1.36 C ATOM 832 CE LYS A 64 -19.216 -4.007 -0.060 1.00 1.64 C ATOM 833 NZ LYS A 64 -18.963 -2.618 0.385 1.00 2.26 N ATOM 0 H LYS A 64 -19.104 -8.735 -0.106 1.00 1.35 H new ATOM 0 HA LYS A 64 -19.770 -8.126 -2.908 1.00 1.40 H new ATOM 0 HB2 LYS A 64 -18.831 -5.895 -2.261 1.00 1.47 H new ATOM 0 HB3 LYS A 64 -20.182 -6.377 -1.254 1.00 1.47 H new ATOM 0 HG2 LYS A 64 -18.802 -6.795 0.632 1.00 1.34 H new ATOM 0 HG3 LYS A 64 -17.348 -6.934 -0.337 1.00 1.34 H new ATOM 0 HD2 LYS A 64 -17.519 -4.796 1.018 1.00 1.36 H new ATOM 0 HD3 LYS A 64 -17.226 -4.556 -0.693 1.00 1.36 H new ATOM 0 HE2 LYS A 64 -19.575 -3.994 -1.089 1.00 1.64 H new ATOM 0 HE3 LYS A 64 -20.010 -4.440 0.549 1.00 1.64 H new ATOM 0 HZ1 LYS A 64 -19.829 -2.054 0.272 1.00 2.26 H new ATOM 0 HZ2 LYS A 64 -18.680 -2.620 1.386 1.00 2.26 H new ATOM 0 HZ3 LYS A 64 -18.202 -2.203 -0.189 1.00 2.26 H new ATOM 847 N PRO A 65 -17.280 -7.651 -3.774 1.00 1.43 N ATOM 848 CA PRO A 65 -15.862 -7.443 -4.035 1.00 1.34 C ATOM 849 C PRO A 65 -15.245 -6.668 -2.858 1.00 1.10 C ATOM 850 O PRO A 65 -15.632 -5.540 -2.539 1.00 1.13 O ATOM 851 CB PRO A 65 -15.795 -6.701 -5.372 1.00 1.53 C ATOM 852 CG PRO A 65 -17.113 -5.935 -5.423 1.00 1.66 C ATOM 853 CD PRO A 65 -18.079 -6.903 -4.740 1.00 1.63 C ATOM 0 HA PRO A 65 -15.286 -8.365 -4.112 1.00 1.34 H new ATOM 0 HB2 PRO A 65 -14.938 -6.028 -5.415 1.00 1.53 H new ATOM 0 HB3 PRO A 65 -15.700 -7.392 -6.210 1.00 1.53 H new ATOM 0 HG2 PRO A 65 -17.051 -4.983 -4.896 1.00 1.66 H new ATOM 0 HG3 PRO A 65 -17.415 -5.713 -6.447 1.00 1.66 H new ATOM 0 HD2 PRO A 65 -18.887 -6.364 -4.245 1.00 1.63 H new ATOM 0 HD3 PRO A 65 -18.540 -7.572 -5.466 1.00 1.63 H new ATOM 861 N PHE A 66 -14.335 -7.343 -2.162 1.00 0.96 N ATOM 862 CA PHE A 66 -13.667 -6.906 -0.939 1.00 0.80 C ATOM 863 C PHE A 66 -12.636 -5.809 -1.190 1.00 0.74 C ATOM 864 O PHE A 66 -12.526 -4.873 -0.401 1.00 0.70 O ATOM 865 CB PHE A 66 -12.952 -8.117 -0.337 1.00 0.83 C ATOM 866 CG PHE A 66 -13.805 -9.340 -0.057 1.00 0.89 C ATOM 867 CD1 PHE A 66 -15.096 -9.215 0.489 1.00 1.90 C ATOM 868 CD2 PHE A 66 -13.305 -10.616 -0.374 1.00 2.21 C ATOM 869 CE1 PHE A 66 -15.889 -10.355 0.697 1.00 1.89 C ATOM 870 CE2 PHE A 66 -14.090 -11.761 -0.145 1.00 2.29 C ATOM 871 CZ PHE A 66 -15.388 -11.629 0.381 1.00 1.06 C ATOM 0 H PHE A 66 -14.024 -8.269 -2.456 1.00 0.96 H new ATOM 0 HA PHE A 66 -14.422 -6.496 -0.269 1.00 0.80 H new ATOM 0 HB2 PHE A 66 -12.149 -8.409 -1.014 1.00 0.83 H new ATOM 0 HB3 PHE A 66 -12.484 -7.807 0.597 1.00 0.83 H new ATOM 0 HD1 PHE A 66 -15.478 -8.239 0.749 1.00 1.90 H new ATOM 0 HD2 PHE A 66 -12.315 -10.717 -0.795 1.00 2.21 H new ATOM 0 HE1 PHE A 66 -16.886 -10.252 1.100 1.00 1.89 H new ATOM 0 HE2 PHE A 66 -13.696 -12.741 -0.373 1.00 2.29 H new ATOM 0 HZ PHE A 66 -15.998 -12.505 0.542 1.00 1.06 H new ATOM 881 N MET A 67 -11.901 -5.923 -2.298 1.00 0.82 N ATOM 882 CA MET A 67 -11.123 -4.819 -2.857 1.00 0.85 C ATOM 883 C MET A 67 -12.066 -3.624 -3.118 1.00 0.82 C ATOM 884 O MET A 67 -13.006 -3.758 -3.907 1.00 0.86 O ATOM 885 CB MET A 67 -10.418 -5.255 -4.150 1.00 1.01 C ATOM 886 CG MET A 67 -9.124 -6.027 -3.865 1.00 1.04 C ATOM 887 SD MET A 67 -7.836 -5.043 -3.038 1.00 0.99 S ATOM 888 CE MET A 67 -6.564 -6.319 -2.861 1.00 1.07 C ATOM 0 H MET A 67 -11.829 -6.788 -2.834 1.00 0.82 H new ATOM 0 HA MET A 67 -10.351 -4.519 -2.148 1.00 0.85 H new ATOM 0 HB2 MET A 67 -11.091 -5.880 -4.737 1.00 1.01 H new ATOM 0 HB3 MET A 67 -10.191 -4.376 -4.753 1.00 1.01 H new ATOM 0 HG2 MET A 67 -9.359 -6.892 -3.245 1.00 1.04 H new ATOM 0 HG3 MET A 67 -8.727 -6.408 -4.806 1.00 1.04 H new ATOM 0 HE1 MET A 67 -5.749 -5.938 -2.246 1.00 1.07 H new ATOM 0 HE2 MET A 67 -6.996 -7.200 -2.386 1.00 1.07 H new ATOM 0 HE3 MET A 67 -6.180 -6.589 -3.845 1.00 1.07 H new ATOM 898 N PRO A 68 -11.866 -2.469 -2.455 1.00 0.79 N ATOM 899 CA PRO A 68 -12.842 -1.382 -2.435 1.00 0.77 C ATOM 900 C PRO A 68 -12.973 -0.663 -3.784 1.00 0.86 C ATOM 901 O PRO A 68 -11.997 -0.503 -4.526 1.00 0.96 O ATOM 902 CB PRO A 68 -12.383 -0.436 -1.320 1.00 0.74 C ATOM 903 CG PRO A 68 -10.883 -0.698 -1.215 1.00 0.80 C ATOM 904 CD PRO A 68 -10.771 -2.183 -1.543 1.00 0.81 C ATOM 0 HA PRO A 68 -13.843 -1.770 -2.247 1.00 0.77 H new ATOM 0 HB2 PRO A 68 -12.591 0.605 -1.568 1.00 0.74 H new ATOM 0 HB3 PRO A 68 -12.893 -0.648 -0.380 1.00 0.74 H new ATOM 0 HG2 PRO A 68 -10.316 -0.086 -1.916 1.00 0.80 H new ATOM 0 HG3 PRO A 68 -10.503 -0.475 -0.218 1.00 0.80 H new ATOM 0 HD2 PRO A 68 -9.809 -2.411 -2.003 1.00 0.81 H new ATOM 0 HD3 PRO A 68 -10.845 -2.790 -0.641 1.00 0.81 H new ATOM 912 N THR A 69 -14.183 -0.183 -4.078 1.00 0.91 N ATOM 913 CA THR A 69 -14.465 0.720 -5.200 1.00 1.06 C ATOM 914 C THR A 69 -14.151 2.171 -4.827 1.00 1.13 C ATOM 915 O THR A 69 -14.002 2.499 -3.650 1.00 1.09 O ATOM 916 CB THR A 69 -15.916 0.570 -5.698 1.00 1.13 C ATOM 917 OG1 THR A 69 -16.834 0.970 -4.705 1.00 1.14 O ATOM 918 CG2 THR A 69 -16.262 -0.868 -6.093 1.00 1.15 C ATOM 0 H THR A 69 -15.013 -0.415 -3.532 1.00 0.91 H new ATOM 0 HA THR A 69 -13.810 0.437 -6.024 1.00 1.06 H new ATOM 0 HB THR A 69 -15.990 1.209 -6.578 1.00 1.13 H new ATOM 0 HG1 THR A 69 -16.954 0.243 -4.059 1.00 1.14 H new ATOM 0 HG21 THR A 69 -17.296 -0.913 -6.436 1.00 1.15 H new ATOM 0 HG22 THR A 69 -15.600 -1.194 -6.895 1.00 1.15 H new ATOM 0 HG23 THR A 69 -16.137 -1.522 -5.230 1.00 1.15 H new ATOM 926 N ALA A 70 -14.029 3.051 -5.820 1.00 1.27 N ATOM 927 CA ALA A 70 -13.454 4.393 -5.675 1.00 1.36 C ATOM 928 C ALA A 70 -14.063 5.235 -4.535 1.00 1.35 C ATOM 929 O ALA A 70 -13.314 5.865 -3.784 1.00 1.34 O ATOM 930 CB ALA A 70 -13.569 5.119 -7.022 1.00 1.57 C ATOM 0 H ALA A 70 -14.334 2.848 -6.772 1.00 1.27 H new ATOM 0 HA ALA A 70 -12.410 4.267 -5.387 1.00 1.36 H new ATOM 0 HB1 ALA A 70 -13.146 6.120 -6.933 1.00 1.57 H new ATOM 0 HB2 ALA A 70 -13.024 4.561 -7.784 1.00 1.57 H new ATOM 0 HB3 ALA A 70 -14.618 5.193 -7.307 1.00 1.57 H new ATOM 936 N ALA A 71 -15.387 5.209 -4.343 1.00 1.39 N ATOM 937 CA ALA A 71 -16.045 5.943 -3.258 1.00 1.43 C ATOM 938 C ALA A 71 -15.797 5.334 -1.858 1.00 1.28 C ATOM 939 O ALA A 71 -15.715 6.083 -0.874 1.00 1.27 O ATOM 940 CB ALA A 71 -17.542 6.049 -3.567 1.00 1.58 C ATOM 0 H ALA A 71 -16.029 4.681 -4.933 1.00 1.39 H new ATOM 0 HA ALA A 71 -15.602 6.938 -3.214 1.00 1.43 H new ATOM 0 HB1 ALA A 71 -18.041 6.594 -2.766 1.00 1.58 H new ATOM 0 HB2 ALA A 71 -17.682 6.580 -4.509 1.00 1.58 H new ATOM 0 HB3 ALA A 71 -17.969 5.049 -3.647 1.00 1.58 H new ATOM 946 N GLU A 72 -15.654 4.003 -1.759 1.00 1.17 N ATOM 947 CA GLU A 72 -15.253 3.287 -0.550 1.00 1.03 C ATOM 948 C GLU A 72 -13.804 3.653 -0.230 1.00 0.92 C ATOM 949 O GLU A 72 -13.521 4.192 0.837 1.00 0.88 O ATOM 950 CB GLU A 72 -15.379 1.760 -0.736 1.00 0.94 C ATOM 951 CG GLU A 72 -16.782 1.283 -1.115 1.00 1.05 C ATOM 952 CD GLU A 72 -16.802 -0.224 -1.403 1.00 1.49 C ATOM 953 OE1 GLU A 72 -16.869 -1.037 -0.452 1.00 2.23 O ATOM 954 OE2 GLU A 72 -16.767 -0.608 -2.598 1.00 2.16 O ATOM 0 H GLU A 72 -15.821 3.380 -2.549 1.00 1.17 H new ATOM 0 HA GLU A 72 -15.910 3.576 0.270 1.00 1.03 H new ATOM 0 HB2 GLU A 72 -14.679 1.441 -1.509 1.00 0.94 H new ATOM 0 HB3 GLU A 72 -15.079 1.268 0.189 1.00 0.94 H new ATOM 0 HG2 GLU A 72 -17.476 1.510 -0.306 1.00 1.05 H new ATOM 0 HG3 GLU A 72 -17.128 1.828 -1.993 1.00 1.05 H new ATOM 961 N ARG A 73 -12.900 3.442 -1.199 1.00 0.90 N ATOM 962 CA ARG A 73 -11.469 3.762 -1.100 1.00 0.82 C ATOM 963 C ARG A 73 -11.258 5.214 -0.661 1.00 0.85 C ATOM 964 O ARG A 73 -10.454 5.473 0.230 1.00 0.79 O ATOM 965 CB ARG A 73 -10.817 3.450 -2.462 1.00 0.89 C ATOM 966 CG ARG A 73 -9.289 3.299 -2.388 1.00 1.62 C ATOM 967 CD ARG A 73 -8.665 2.993 -3.758 1.00 1.66 C ATOM 968 NE ARG A 73 -9.109 1.691 -4.304 1.00 2.07 N ATOM 969 CZ ARG A 73 -8.523 0.511 -4.187 1.00 3.15 C ATOM 970 NH1 ARG A 73 -7.378 0.346 -3.594 1.00 3.57 N ATOM 971 NH2 ARG A 73 -9.097 -0.547 -4.672 1.00 4.96 N ATOM 0 H ARG A 73 -13.152 3.032 -2.098 1.00 0.90 H new ATOM 0 HA ARG A 73 -10.992 3.152 -0.333 1.00 0.82 H new ATOM 0 HB2 ARG A 73 -11.247 2.531 -2.860 1.00 0.89 H new ATOM 0 HB3 ARG A 73 -11.062 4.246 -3.165 1.00 0.89 H new ATOM 0 HG2 ARG A 73 -8.855 4.216 -1.990 1.00 1.62 H new ATOM 0 HG3 ARG A 73 -9.039 2.499 -1.691 1.00 1.62 H new ATOM 0 HD2 ARG A 73 -8.927 3.786 -4.459 1.00 1.66 H new ATOM 0 HD3 ARG A 73 -7.579 2.994 -3.668 1.00 1.66 H new ATOM 0 HE ARG A 73 -9.978 1.706 -4.839 1.00 2.07 H new ATOM 0 HH11 ARG A 73 -6.891 1.148 -3.193 1.00 3.57 H new ATOM 0 HH12 ARG A 73 -6.967 -0.585 -3.529 1.00 3.57 H new ATOM 0 HH21 ARG A 73 -9.999 -0.468 -5.142 1.00 4.96 H new ATOM 0 HH22 ARG A 73 -8.647 -1.458 -4.583 1.00 4.96 H new ATOM 985 N ASP A 74 -12.055 6.133 -1.208 1.00 0.98 N ATOM 986 CA ASP A 74 -12.082 7.542 -0.826 1.00 1.06 C ATOM 987 C ASP A 74 -12.479 7.762 0.638 1.00 1.03 C ATOM 988 O ASP A 74 -11.712 8.382 1.384 1.00 1.00 O ATOM 989 CB ASP A 74 -13.036 8.311 -1.748 1.00 1.24 C ATOM 990 CG ASP A 74 -13.284 9.739 -1.258 1.00 1.49 C ATOM 991 OD1 ASP A 74 -12.311 10.514 -1.123 1.00 1.78 O ATOM 992 OD2 ASP A 74 -14.456 10.083 -0.984 1.00 2.47 O ATOM 0 H ASP A 74 -12.718 5.909 -1.950 1.00 0.98 H new ATOM 0 HA ASP A 74 -11.065 7.919 -0.935 1.00 1.06 H new ATOM 0 HB2 ASP A 74 -12.620 8.341 -2.755 1.00 1.24 H new ATOM 0 HB3 ASP A 74 -13.986 7.780 -1.811 1.00 1.24 H new ATOM 997 N GLU A 75 -13.652 7.268 1.058 1.00 1.06 N ATOM 998 CA GLU A 75 -14.112 7.493 2.436 1.00 1.08 C ATOM 999 C GLU A 75 -13.223 6.810 3.487 1.00 0.96 C ATOM 1000 O GLU A 75 -13.113 7.294 4.615 1.00 0.98 O ATOM 1001 CB GLU A 75 -15.593 7.120 2.606 1.00 1.19 C ATOM 1002 CG GLU A 75 -15.913 5.618 2.601 1.00 1.16 C ATOM 1003 CD GLU A 75 -17.324 5.370 3.137 1.00 1.43 C ATOM 1004 OE1 GLU A 75 -18.300 5.421 2.348 1.00 1.75 O ATOM 1005 OE2 GLU A 75 -17.472 5.144 4.362 1.00 2.53 O ATOM 0 H GLU A 75 -14.288 6.721 0.478 1.00 1.06 H new ATOM 0 HA GLU A 75 -14.020 8.564 2.618 1.00 1.08 H new ATOM 0 HB2 GLU A 75 -15.949 7.544 3.545 1.00 1.19 H new ATOM 0 HB3 GLU A 75 -16.161 7.595 1.806 1.00 1.19 H new ATOM 0 HG2 GLU A 75 -15.828 5.225 1.588 1.00 1.16 H new ATOM 0 HG3 GLU A 75 -15.186 5.083 3.212 1.00 1.16 H new ATOM 1012 N ILE A 76 -12.553 5.716 3.123 1.00 0.86 N ATOM 1013 CA ILE A 76 -11.608 4.989 3.978 1.00 0.75 C ATOM 1014 C ILE A 76 -10.309 5.795 4.134 1.00 0.71 C ATOM 1015 O ILE A 76 -9.857 6.044 5.253 1.00 0.73 O ATOM 1016 CB ILE A 76 -11.385 3.579 3.389 1.00 0.67 C ATOM 1017 CG1 ILE A 76 -12.682 2.738 3.481 1.00 0.69 C ATOM 1018 CG2 ILE A 76 -10.233 2.871 4.113 1.00 0.62 C ATOM 1019 CD1 ILE A 76 -12.786 1.635 2.420 1.00 0.65 C ATOM 0 H ILE A 76 -12.654 5.297 2.198 1.00 0.86 H new ATOM 0 HA ILE A 76 -12.011 4.864 4.983 1.00 0.75 H new ATOM 0 HB ILE A 76 -11.119 3.685 2.337 1.00 0.67 H new ATOM 0 HG12 ILE A 76 -12.739 2.283 4.470 1.00 0.69 H new ATOM 0 HG13 ILE A 76 -13.541 3.402 3.386 1.00 0.69 H new ATOM 0 HG21 ILE A 76 -10.090 1.879 3.685 1.00 0.62 H new ATOM 0 HG22 ILE A 76 -9.318 3.452 3.996 1.00 0.62 H new ATOM 0 HG23 ILE A 76 -10.471 2.778 5.173 1.00 0.62 H new ATOM 0 HD11 ILE A 76 -13.721 1.091 2.551 1.00 0.65 H new ATOM 0 HD12 ILE A 76 -12.763 2.083 1.426 1.00 0.65 H new ATOM 0 HD13 ILE A 76 -11.948 0.946 2.528 1.00 0.65 H new ATOM 1031 N LEU A 77 -9.747 6.293 3.025 1.00 0.70 N ATOM 1032 CA LEU A 77 -8.584 7.189 3.041 1.00 0.69 C ATOM 1033 C LEU A 77 -8.841 8.486 3.810 1.00 0.77 C ATOM 1034 O LEU A 77 -7.926 9.010 4.443 1.00 0.80 O ATOM 1035 CB LEU A 77 -8.205 7.536 1.602 1.00 0.74 C ATOM 1036 CG LEU A 77 -7.436 6.414 0.896 1.00 0.72 C ATOM 1037 CD1 LEU A 77 -7.380 6.744 -0.584 1.00 0.85 C ATOM 1038 CD2 LEU A 77 -6.012 6.264 1.437 1.00 0.71 C ATOM 0 H LEU A 77 -10.088 6.084 2.087 1.00 0.70 H new ATOM 0 HA LEU A 77 -7.777 6.662 3.551 1.00 0.69 H new ATOM 0 HB2 LEU A 77 -9.111 7.759 1.038 1.00 0.74 H new ATOM 0 HB3 LEU A 77 -7.598 8.441 1.601 1.00 0.74 H new ATOM 0 HG LEU A 77 -7.952 5.470 1.075 1.00 0.72 H new ATOM 0 HD11 LEU A 77 -6.837 5.960 -1.111 1.00 0.85 H new ATOM 0 HD12 LEU A 77 -8.393 6.813 -0.980 1.00 0.85 H new ATOM 0 HD13 LEU A 77 -6.870 7.697 -0.725 1.00 0.85 H new ATOM 0 HD21 LEU A 77 -5.505 5.457 0.908 1.00 0.71 H new ATOM 0 HD22 LEU A 77 -5.466 7.196 1.288 1.00 0.71 H new ATOM 0 HD23 LEU A 77 -6.050 6.032 2.501 1.00 0.71 H new ATOM 1050 N ARG A 78 -10.081 8.982 3.785 1.00 0.87 N ATOM 1051 CA ARG A 78 -10.531 10.133 4.585 1.00 0.98 C ATOM 1052 C ARG A 78 -10.822 9.796 6.054 1.00 0.97 C ATOM 1053 O ARG A 78 -10.607 10.652 6.915 1.00 1.03 O ATOM 1054 CB ARG A 78 -11.710 10.837 3.891 1.00 1.10 C ATOM 1055 CG ARG A 78 -11.183 11.816 2.830 1.00 1.40 C ATOM 1056 CD ARG A 78 -12.322 12.485 2.053 1.00 1.74 C ATOM 1057 NE ARG A 78 -11.867 13.737 1.424 1.00 2.94 N ATOM 1058 CZ ARG A 78 -11.816 14.042 0.143 1.00 3.45 C ATOM 1059 NH1 ARG A 78 -12.183 13.240 -0.811 1.00 3.52 N ATOM 1060 NH2 ARG A 78 -11.377 15.206 -0.222 1.00 4.86 N ATOM 0 H ARG A 78 -10.817 8.590 3.198 1.00 0.87 H new ATOM 0 HA ARG A 78 -9.696 10.832 4.633 1.00 0.98 H new ATOM 0 HB2 ARG A 78 -12.363 10.099 3.425 1.00 1.10 H new ATOM 0 HB3 ARG A 78 -12.309 11.373 4.627 1.00 1.10 H new ATOM 0 HG2 ARG A 78 -10.574 12.581 3.312 1.00 1.40 H new ATOM 0 HG3 ARG A 78 -10.534 11.283 2.135 1.00 1.40 H new ATOM 0 HD2 ARG A 78 -12.694 11.804 1.288 1.00 1.74 H new ATOM 0 HD3 ARG A 78 -13.153 12.693 2.726 1.00 1.74 H new ATOM 0 HE ARG A 78 -11.549 14.464 2.065 1.00 2.94 H new ATOM 0 HH11 ARG A 78 -12.537 12.310 -0.587 1.00 3.52 H new ATOM 0 HH12 ARG A 78 -12.117 13.541 -1.784 1.00 3.52 H new ATOM 0 HH21 ARG A 78 -11.073 15.880 0.481 1.00 4.86 H new ATOM 0 HH22 ARG A 78 -11.335 15.448 -1.212 1.00 4.86 H new ATOM 1074 N ALA A 79 -11.204 8.551 6.348 1.00 0.93 N ATOM 1075 CA ALA A 79 -11.328 8.030 7.716 1.00 0.95 C ATOM 1076 C ALA A 79 -9.964 7.765 8.392 1.00 0.90 C ATOM 1077 O ALA A 79 -9.861 7.828 9.618 1.00 0.98 O ATOM 1078 CB ALA A 79 -12.214 6.778 7.708 1.00 0.96 C ATOM 0 H ALA A 79 -11.440 7.864 5.632 1.00 0.93 H new ATOM 0 HA ALA A 79 -11.802 8.801 8.323 1.00 0.95 H new ATOM 0 HB1 ALA A 79 -12.306 6.391 8.723 1.00 0.96 H new ATOM 0 HB2 ALA A 79 -13.202 7.034 7.326 1.00 0.96 H new ATOM 0 HB3 ALA A 79 -11.764 6.018 7.069 1.00 0.96 H new ATOM 1084 N VAL A 80 -8.895 7.533 7.620 1.00 0.81 N ATOM 1085 CA VAL A 80 -7.513 7.704 8.102 1.00 0.83 C ATOM 1086 C VAL A 80 -7.169 9.200 8.137 1.00 0.85 C ATOM 1087 O VAL A 80 -6.644 9.710 9.129 1.00 0.97 O ATOM 1088 CB VAL A 80 -6.531 6.916 7.209 1.00 0.79 C ATOM 1089 CG1 VAL A 80 -5.092 7.025 7.714 1.00 0.86 C ATOM 1090 CG2 VAL A 80 -6.871 5.421 7.163 1.00 0.83 C ATOM 0 H VAL A 80 -8.959 7.224 6.650 1.00 0.81 H new ATOM 0 HA VAL A 80 -7.424 7.306 9.113 1.00 0.83 H new ATOM 0 HB VAL A 80 -6.625 7.359 6.218 1.00 0.79 H new ATOM 0 HG11 VAL A 80 -4.432 6.457 7.058 1.00 0.86 H new ATOM 0 HG12 VAL A 80 -4.786 8.071 7.718 1.00 0.86 H new ATOM 0 HG13 VAL A 80 -5.030 6.625 8.726 1.00 0.86 H new ATOM 0 HG21 VAL A 80 -6.155 4.905 6.524 1.00 0.83 H new ATOM 0 HG22 VAL A 80 -6.824 5.006 8.170 1.00 0.83 H new ATOM 0 HG23 VAL A 80 -7.876 5.289 6.763 1.00 0.83 H new ATOM 1100 N GLY A 81 -7.509 9.910 7.056 1.00 0.80 N ATOM 1101 CA GLY A 81 -7.249 11.330 6.802 1.00 0.91 C ATOM 1102 C GLY A 81 -5.836 11.627 6.288 1.00 0.98 C ATOM 1103 O GLY A 81 -5.528 12.766 5.942 1.00 1.27 O ATOM 0 H GLY A 81 -8.009 9.476 6.280 1.00 0.80 H new ATOM 0 HA2 GLY A 81 -7.973 11.696 6.074 1.00 0.91 H new ATOM 0 HA3 GLY A 81 -7.413 11.889 7.723 1.00 0.91 H new ATOM 1107 N ASN A 82 -5.002 10.594 6.173 1.00 0.88 N ATOM 1108 CA ASN A 82 -3.646 10.619 5.625 1.00 0.94 C ATOM 1109 C ASN A 82 -3.413 9.336 4.802 1.00 0.88 C ATOM 1110 O ASN A 82 -4.178 8.374 4.900 1.00 0.84 O ATOM 1111 CB ASN A 82 -2.651 10.759 6.800 1.00 1.05 C ATOM 1112 CG ASN A 82 -1.189 10.858 6.379 1.00 1.21 C ATOM 1113 OD1 ASN A 82 -0.849 11.333 5.304 1.00 1.88 O ATOM 1114 ND2 ASN A 82 -0.283 10.366 7.186 1.00 1.42 N ATOM 0 H ASN A 82 -5.272 9.659 6.479 1.00 0.88 H new ATOM 0 HA ASN A 82 -3.498 11.466 4.954 1.00 0.94 H new ATOM 0 HB2 ASN A 82 -2.911 11.647 7.377 1.00 1.05 H new ATOM 0 HB3 ASN A 82 -2.768 9.902 7.463 1.00 1.05 H new ATOM 0 HD21 ASN A 82 0.701 10.380 6.917 1.00 1.42 H new ATOM 0 HD22 ASN A 82 -0.561 9.969 8.083 1.00 1.42 H new ATOM 1121 N MET A 83 -2.330 9.293 4.026 1.00 1.02 N ATOM 1122 CA MET A 83 -1.870 8.101 3.330 1.00 1.00 C ATOM 1123 C MET A 83 -1.585 6.986 4.360 1.00 0.95 C ATOM 1124 O MET A 83 -0.763 7.192 5.263 1.00 1.06 O ATOM 1125 CB MET A 83 -0.622 8.491 2.514 1.00 1.17 C ATOM 1126 CG MET A 83 -0.249 7.512 1.399 1.00 1.19 C ATOM 1127 SD MET A 83 -0.973 7.875 -0.229 1.00 1.28 S ATOM 1128 CE MET A 83 -2.613 7.129 -0.068 1.00 1.12 C ATOM 0 H MET A 83 -1.738 10.107 3.863 1.00 1.02 H new ATOM 0 HA MET A 83 -2.624 7.712 2.646 1.00 1.00 H new ATOM 0 HB2 MET A 83 -0.786 9.475 2.074 1.00 1.17 H new ATOM 0 HB3 MET A 83 0.225 8.584 3.194 1.00 1.17 H new ATOM 0 HG2 MET A 83 0.836 7.496 1.300 1.00 1.19 H new ATOM 0 HG3 MET A 83 -0.556 6.510 1.700 1.00 1.19 H new ATOM 0 HE1 MET A 83 -3.090 7.083 -1.047 1.00 1.12 H new ATOM 0 HE2 MET A 83 -2.516 6.121 0.336 1.00 1.12 H new ATOM 0 HE3 MET A 83 -3.223 7.733 0.604 1.00 1.12 H new ATOM 1138 N PRO A 84 -2.208 5.794 4.247 1.00 0.86 N ATOM 1139 CA PRO A 84 -2.031 4.702 5.203 1.00 0.87 C ATOM 1140 C PRO A 84 -0.676 4.003 5.051 1.00 0.96 C ATOM 1141 O PRO A 84 -0.402 3.018 5.732 1.00 1.07 O ATOM 1142 CB PRO A 84 -3.206 3.755 4.956 1.00 0.83 C ATOM 1143 CG PRO A 84 -3.561 3.951 3.484 1.00 0.78 C ATOM 1144 CD PRO A 84 -3.159 5.405 3.221 1.00 0.82 C ATOM 0 HA PRO A 84 -2.025 5.071 6.229 1.00 0.87 H new ATOM 0 HB2 PRO A 84 -2.931 2.721 5.162 1.00 0.83 H new ATOM 0 HB3 PRO A 84 -4.050 3.995 5.602 1.00 0.83 H new ATOM 0 HG2 PRO A 84 -3.015 3.259 2.842 1.00 0.78 H new ATOM 0 HG3 PRO A 84 -4.623 3.787 3.300 1.00 0.78 H new ATOM 0 HD2 PRO A 84 -2.715 5.506 2.231 1.00 0.82 H new ATOM 0 HD3 PRO A 84 -4.034 6.054 3.245 1.00 0.82 H new ATOM 1152 N TYR A 85 0.158 4.492 4.132 1.00 0.98 N ATOM 1153 CA TYR A 85 1.465 3.913 3.810 1.00 1.13 C ATOM 1154 C TYR A 85 2.518 4.280 4.875 1.00 1.38 C ATOM 1155 O TYR A 85 2.777 5.487 5.095 1.00 1.94 O ATOM 1156 CB TYR A 85 1.889 4.344 2.395 1.00 1.28 C ATOM 1157 CG TYR A 85 0.927 4.257 1.215 1.00 1.12 C ATOM 1158 CD1 TYR A 85 -0.349 3.651 1.286 1.00 1.73 C ATOM 1159 CD2 TYR A 85 1.346 4.831 -0.001 1.00 2.16 C ATOM 1160 CE1 TYR A 85 -1.216 3.681 0.175 1.00 1.82 C ATOM 1161 CE2 TYR A 85 0.497 4.835 -1.122 1.00 2.24 C ATOM 1162 CZ TYR A 85 -0.792 4.275 -1.036 1.00 1.38 C ATOM 1163 OH TYR A 85 -1.613 4.321 -2.120 1.00 1.65 O ATOM 0 H TYR A 85 -0.060 5.320 3.578 1.00 0.98 H new ATOM 0 HA TYR A 85 1.386 2.826 3.821 1.00 1.13 H new ATOM 0 HB2 TYR A 85 2.213 5.382 2.464 1.00 1.28 H new ATOM 0 HB3 TYR A 85 2.766 3.753 2.133 1.00 1.28 H new ATOM 0 HD1 TYR A 85 -0.661 3.162 2.197 1.00 1.73 H new ATOM 0 HD2 TYR A 85 2.329 5.272 -0.073 1.00 2.16 H new ATOM 0 HE1 TYR A 85 -2.204 3.250 0.249 1.00 1.82 H new ATOM 0 HE2 TYR A 85 0.835 5.269 -2.052 1.00 2.24 H new ATOM 0 HH TYR A 85 -1.152 4.767 -2.861 1.00 1.65 H new TER 1173 TYR A 85