USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 623 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 74 ASN : amide:sc= 1.21 K(o=1.3,f=-0.49) USER MOD Set 1.2: A 76 GLN : amide:sc= 0.0737 X(o=1.3,f=1.1) USER MOD Set 2.1: A 39 GLN : amide:sc= -0.0408 X(o=-0.041,f=0.098) USER MOD Set 2.2: A 48 TYR OH : rot 30:sc= 0 USER MOD Single : A 3 THR OG1 : rot 2:sc= 0.796 USER MOD Single : A 5 THR OG1 : rot -47:sc= 0.00939 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 1.09 K(o=1.1,f=-0.061) USER MOD Single : A 13 LYS NZ :NH3+ 168:sc= 2.51 (180deg=2.46) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0124 USER MOD Single : A 18 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0352) USER MOD Single : A 20 ASN : amide:sc= -0.614 K(o=-0.61,f=-2.2!) USER MOD Single : A 21 ASN : amide:sc= -0.631 K(o=-0.63,f=-0.045) USER MOD Single : A 24 GLN : amide:sc= -0.753 K(o=-0.75,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= -0.163 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.199 X(o=-0.2,f=-0.016) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 HIS : no HD1:sc= -0.0361 X(o=-0.036,f=-0.072) USER MOD Single : A 38 LYS NZ :NH3+ 142:sc= -0.555 (180deg=-2.25!) USER MOD Single : A 42 SER OG : rot -94:sc= 0.584 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 130:sc= -0.485 USER MOD Single : A 53 TYR OH : rot -121:sc= 1.3 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 165:sc= 1.3 (180deg=1.1) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -0.0264 K(o=-0.026,f=-2!) USER MOD Single : A 78 GLN : amide:sc= -0.516 X(o=-0.52,f=-0.31) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.0098) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 35 N THR A 3 6.758 -19.717 -18.564 1.00 51.00 N ATOM 36 CA THR A 3 5.676 -19.163 -19.313 1.00 22.00 C ATOM 37 C THR A 3 5.152 -17.918 -18.643 1.00 21.00 C ATOM 38 O THR A 3 5.062 -17.848 -17.411 1.00 21.00 O ATOM 39 CB THR A 3 4.537 -20.195 -19.473 1.00 50.00 C ATOM 40 OG1 THR A 3 4.917 -21.439 -18.824 1.00 32.00 O ATOM 41 CG2 THR A 3 4.297 -20.452 -20.945 1.00 12.00 C ATOM 0 HA THR A 3 6.050 -18.900 -20.303 1.00 22.00 H new ATOM 0 HB THR A 3 3.627 -19.807 -19.015 1.00 50.00 H new ATOM 0 HG1 THR A 3 5.793 -21.332 -18.399 1.00 32.00 H new ATOM 0 HG21 THR A 3 3.494 -21.180 -21.061 1.00 12.00 H new ATOM 0 HG22 THR A 3 4.016 -19.520 -21.436 1.00 12.00 H new ATOM 0 HG23 THR A 3 5.208 -20.841 -21.400 1.00 12.00 H new ATOM 49 N ASP A 4 4.860 -16.929 -19.425 1.00 44.00 N ATOM 50 CA ASP A 4 4.248 -15.741 -18.915 1.00 34.00 C ATOM 51 C ASP A 4 2.751 -15.969 -19.042 1.00 75.00 C ATOM 52 O ASP A 4 2.319 -16.758 -19.889 1.00 34.00 O ATOM 53 CB ASP A 4 4.693 -14.469 -19.689 1.00 50.00 C ATOM 54 CG ASP A 4 6.199 -14.225 -19.721 1.00 34.00 C ATOM 55 OD1 ASP A 4 6.799 -13.944 -18.664 1.00 5.00 O ATOM 56 OD2 ASP A 4 6.802 -14.236 -20.837 1.00 52.00 O ATOM 0 H ASP A 4 5.037 -16.920 -20.429 1.00 44.00 H new ATOM 0 HA ASP A 4 4.546 -15.563 -17.882 1.00 34.00 H new ATOM 0 HB2 ASP A 4 4.330 -14.541 -20.714 1.00 50.00 H new ATOM 0 HB3 ASP A 4 4.209 -13.601 -19.240 1.00 50.00 H new ATOM 61 N THR A 5 1.956 -15.373 -18.220 1.00 3.00 N ATOM 62 CA THR A 5 0.531 -15.613 -18.277 1.00 15.00 C ATOM 63 C THR A 5 -0.263 -14.349 -17.969 1.00 44.00 C ATOM 64 O THR A 5 0.084 -13.577 -17.086 1.00 74.00 O ATOM 65 CB THR A 5 0.110 -16.818 -17.381 1.00 50.00 C ATOM 66 OG1 THR A 5 0.793 -18.005 -17.832 1.00 33.00 O ATOM 67 CG2 THR A 5 -1.394 -17.064 -17.423 1.00 40.00 C ATOM 0 H THR A 5 2.254 -14.716 -17.499 1.00 3.00 H new ATOM 0 HA THR A 5 0.287 -15.893 -19.302 1.00 15.00 H new ATOM 0 HB THR A 5 0.383 -16.580 -16.353 1.00 50.00 H new ATOM 0 HG1 THR A 5 0.725 -18.071 -18.807 1.00 33.00 H new ATOM 0 HG21 THR A 5 -1.642 -17.912 -16.785 1.00 40.00 H new ATOM 0 HG22 THR A 5 -1.918 -16.177 -17.067 1.00 40.00 H new ATOM 0 HG23 THR A 5 -1.699 -17.279 -18.447 1.00 40.00 H new ATOM 75 N LEU A 6 -1.310 -14.143 -18.737 1.00 15.00 N ATOM 76 CA LEU A 6 -2.107 -12.984 -18.669 1.00 54.00 C ATOM 77 C LEU A 6 -3.059 -12.935 -17.452 1.00 33.00 C ATOM 78 O LEU A 6 -2.876 -13.655 -16.486 1.00 13.00 O ATOM 79 CB LEU A 6 -2.770 -12.744 -20.044 1.00 11.00 C ATOM 80 CG LEU A 6 -1.846 -12.037 -21.048 1.00 13.00 C ATOM 81 CD1 LEU A 6 -0.684 -12.875 -21.529 1.00 4.00 C ATOM 82 CD2 LEU A 6 -2.599 -11.380 -22.185 1.00 12.00 C ATOM 0 H LEU A 6 -1.622 -14.811 -19.441 1.00 15.00 H new ATOM 0 HA LEU A 6 -1.463 -12.128 -18.466 1.00 54.00 H new ATOM 0 HB2 LEU A 6 -3.083 -13.701 -20.461 1.00 11.00 H new ATOM 0 HB3 LEU A 6 -3.671 -12.146 -19.906 1.00 11.00 H new ATOM 0 HG LEU A 6 -1.389 -11.233 -20.472 1.00 13.00 H new ATOM 0 HD11 LEU A 6 -0.086 -12.297 -22.233 1.00 4.00 H new ATOM 0 HD12 LEU A 6 -0.066 -13.162 -20.678 1.00 4.00 H new ATOM 0 HD13 LEU A 6 -1.061 -13.771 -22.023 1.00 4.00 H new ATOM 0 HD21 LEU A 6 -1.891 -10.898 -22.860 1.00 12.00 H new ATOM 0 HD22 LEU A 6 -3.164 -12.135 -22.731 1.00 12.00 H new ATOM 0 HD23 LEU A 6 -3.284 -10.633 -21.784 1.00 12.00 H new ATOM 94 N GLU A 7 -4.091 -12.097 -17.551 1.00 32.00 N ATOM 95 CA GLU A 7 -4.963 -11.687 -16.451 1.00 14.00 C ATOM 96 C GLU A 7 -5.721 -12.840 -15.920 1.00 35.00 C ATOM 97 O GLU A 7 -6.147 -12.869 -14.782 1.00 13.00 O ATOM 98 CB GLU A 7 -5.949 -10.705 -17.035 1.00 74.00 C ATOM 99 CG GLU A 7 -5.962 -9.398 -16.353 1.00 62.00 C ATOM 100 CD GLU A 7 -6.698 -9.389 -15.037 1.00 62.00 C ATOM 101 OE1 GLU A 7 -6.136 -9.818 -14.014 1.00 11.00 O ATOM 102 OE2 GLU A 7 -7.836 -8.899 -15.000 1.00 10.00 O ATOM 0 H GLU A 7 -4.353 -11.667 -18.438 1.00 32.00 H new ATOM 0 HA GLU A 7 -4.371 -11.262 -15.641 1.00 14.00 H new ATOM 0 HB2 GLU A 7 -5.715 -10.552 -18.089 1.00 74.00 H new ATOM 0 HB3 GLU A 7 -6.948 -11.138 -16.990 1.00 74.00 H new ATOM 0 HG2 GLU A 7 -4.933 -9.081 -16.182 1.00 62.00 H new ATOM 0 HG3 GLU A 7 -6.417 -8.661 -17.015 1.00 62.00 H new ATOM 109 N TYR A 8 -5.876 -13.774 -16.789 1.00 2.00 N ATOM 110 CA TYR A 8 -6.649 -14.961 -16.614 1.00 71.00 C ATOM 111 C TYR A 8 -8.074 -14.656 -16.163 1.00 41.00 C ATOM 112 O TYR A 8 -8.740 -15.483 -15.577 1.00 12.00 O ATOM 113 CB TYR A 8 -5.936 -16.097 -15.797 1.00 20.00 C ATOM 114 CG TYR A 8 -5.444 -15.780 -14.383 1.00 0.00 C ATOM 115 CD1 TYR A 8 -6.290 -15.863 -13.286 1.00 62.00 C ATOM 116 CD2 TYR A 8 -4.120 -15.422 -14.155 1.00 2.00 C ATOM 117 CE1 TYR A 8 -5.834 -15.594 -12.009 1.00 2.00 C ATOM 118 CE2 TYR A 8 -3.657 -15.157 -12.880 1.00 22.00 C ATOM 119 CZ TYR A 8 -4.519 -15.243 -11.811 1.00 2.00 C ATOM 120 OH TYR A 8 -4.060 -14.990 -10.525 1.00 32.00 O ATOM 0 H TYR A 8 -5.436 -13.730 -17.708 1.00 2.00 H new ATOM 0 HA TYR A 8 -6.737 -15.402 -17.607 1.00 71.00 H new ATOM 0 HB2 TYR A 8 -6.626 -16.938 -15.727 1.00 20.00 H new ATOM 0 HB3 TYR A 8 -5.078 -16.435 -16.378 1.00 20.00 H new ATOM 0 HD1 TYR A 8 -7.323 -16.143 -13.433 1.00 62.00 H new ATOM 0 HD2 TYR A 8 -3.440 -15.350 -14.991 1.00 2.00 H new ATOM 0 HE1 TYR A 8 -6.509 -15.659 -11.168 1.00 2.00 H new ATOM 0 HE2 TYR A 8 -2.624 -14.884 -12.724 1.00 22.00 H new ATOM 0 HH TYR A 8 -3.109 -14.756 -10.557 1.00 32.00 H new ATOM 130 N GLN A 9 -8.575 -13.501 -16.595 1.00 1.00 N ATOM 131 CA GLN A 9 -9.797 -12.991 -16.165 1.00 53.00 C ATOM 132 C GLN A 9 -10.264 -11.954 -17.160 1.00 24.00 C ATOM 133 O GLN A 9 -9.593 -10.945 -17.391 1.00 53.00 O ATOM 134 CB GLN A 9 -9.596 -12.367 -14.796 1.00 1.00 C ATOM 135 CG GLN A 9 -10.665 -11.409 -14.397 1.00 70.00 C ATOM 136 CD GLN A 9 -10.374 -10.752 -13.071 1.00 31.00 C ATOM 137 OE1 GLN A 9 -10.791 -11.230 -12.016 1.00 65.00 O ATOM 138 NE2 GLN A 9 -9.615 -9.694 -13.096 1.00 50.00 N ATOM 0 H GLN A 9 -8.099 -12.906 -17.273 1.00 1.00 H new ATOM 0 HA GLN A 9 -10.550 -13.776 -16.095 1.00 53.00 H new ATOM 0 HB2 GLN A 9 -9.540 -13.162 -14.052 1.00 1.00 H new ATOM 0 HB3 GLN A 9 -8.637 -11.849 -14.783 1.00 1.00 H new ATOM 0 HG2 GLN A 9 -10.769 -10.643 -15.165 1.00 70.00 H new ATOM 0 HG3 GLN A 9 -11.618 -11.934 -14.339 1.00 70.00 H new ATOM 0 HE21 GLN A 9 -9.286 -9.323 -13.988 1.00 50.00 H new ATOM 0 HE22 GLN A 9 -9.349 -9.236 -12.224 1.00 50.00 H new ATOM 147 N CYS A 10 -11.342 -12.241 -17.773 1.00 14.00 N ATOM 148 CA CYS A 10 -12.017 -11.351 -18.669 1.00 3.00 C ATOM 149 C CYS A 10 -13.498 -11.532 -18.375 1.00 35.00 C ATOM 150 O CYS A 10 -13.829 -12.366 -17.525 1.00 14.00 O ATOM 151 CB CYS A 10 -11.641 -11.683 -20.123 1.00 43.00 C ATOM 152 SG CYS A 10 -9.894 -11.369 -20.533 1.00 32.00 S ATOM 0 H CYS A 10 -11.812 -13.140 -17.669 1.00 14.00 H new ATOM 0 HA CYS A 10 -11.735 -10.307 -18.531 1.00 3.00 H new ATOM 0 HB2 CYS A 10 -11.864 -12.733 -20.314 1.00 43.00 H new ATOM 0 HB3 CYS A 10 -12.271 -11.097 -20.792 1.00 43.00 H new ATOM 157 N ASP A 11 -14.390 -10.798 -19.008 1.00 63.00 N ATOM 158 CA ASP A 11 -15.813 -10.914 -18.636 1.00 62.00 C ATOM 159 C ASP A 11 -16.384 -12.212 -19.112 1.00 41.00 C ATOM 160 O ASP A 11 -16.987 -12.973 -18.346 1.00 24.00 O ATOM 161 CB ASP A 11 -16.680 -9.799 -19.224 1.00 1.00 C ATOM 162 CG ASP A 11 -16.280 -8.419 -18.822 1.00 24.00 C ATOM 163 OD1 ASP A 11 -16.533 -8.012 -17.664 1.00 23.00 O ATOM 164 OD2 ASP A 11 -15.721 -7.704 -19.642 1.00 63.00 O ATOM 0 H ASP A 11 -14.183 -10.135 -19.755 1.00 63.00 H new ATOM 0 HA ASP A 11 -15.831 -10.845 -17.548 1.00 62.00 H new ATOM 0 HB2 ASP A 11 -16.649 -9.869 -20.311 1.00 1.00 H new ATOM 0 HB3 ASP A 11 -17.714 -9.965 -18.923 1.00 1.00 H new ATOM 169 N GLU A 12 -16.193 -12.463 -20.372 1.00 42.00 N ATOM 170 CA GLU A 12 -16.794 -13.593 -21.029 1.00 4.00 C ATOM 171 C GLU A 12 -16.128 -14.878 -20.653 1.00 52.00 C ATOM 172 O GLU A 12 -16.786 -15.878 -20.384 1.00 44.00 O ATOM 173 CB GLU A 12 -16.727 -13.431 -22.545 1.00 61.00 C ATOM 174 CG GLU A 12 -16.996 -12.029 -23.006 1.00 2.00 C ATOM 175 CD GLU A 12 -15.733 -11.206 -23.181 1.00 51.00 C ATOM 176 OE1 GLU A 12 -15.267 -10.598 -22.190 1.00 30.00 O ATOM 177 OE2 GLU A 12 -15.203 -11.161 -24.305 1.00 33.00 O ATOM 0 H GLU A 12 -15.612 -11.887 -20.981 1.00 42.00 H new ATOM 0 HA GLU A 12 -17.833 -13.630 -20.702 1.00 4.00 H new ATOM 0 HB2 GLU A 12 -15.740 -13.737 -22.893 1.00 61.00 H new ATOM 0 HB3 GLU A 12 -17.450 -14.103 -23.007 1.00 61.00 H new ATOM 0 HG2 GLU A 12 -17.535 -12.062 -23.953 1.00 2.00 H new ATOM 0 HG3 GLU A 12 -17.647 -11.535 -22.285 1.00 2.00 H new ATOM 184 N LYS A 13 -14.836 -14.853 -20.627 1.00 4.00 N ATOM 185 CA LYS A 13 -14.057 -16.060 -20.443 1.00 34.00 C ATOM 186 C LYS A 13 -12.849 -15.681 -19.647 1.00 53.00 C ATOM 187 O LYS A 13 -12.611 -14.488 -19.452 1.00 45.00 O ATOM 188 CB LYS A 13 -13.576 -16.611 -21.817 1.00 53.00 C ATOM 189 CG LYS A 13 -14.561 -16.436 -22.972 1.00 43.00 C ATOM 190 CD LYS A 13 -14.673 -17.688 -23.839 1.00 74.00 C ATOM 191 CE LYS A 13 -15.226 -18.861 -23.026 1.00 22.00 C ATOM 192 NZ LYS A 13 -15.487 -20.061 -23.840 1.00 42.00 N ATOM 0 H LYS A 13 -14.280 -14.004 -20.731 1.00 4.00 H new ATOM 0 HA LYS A 13 -14.659 -16.822 -19.947 1.00 34.00 H new ATOM 0 HB2 LYS A 13 -12.641 -16.117 -22.081 1.00 53.00 H new ATOM 0 HB3 LYS A 13 -13.356 -17.673 -21.707 1.00 53.00 H new ATOM 0 HG2 LYS A 13 -15.544 -16.185 -22.573 1.00 43.00 H new ATOM 0 HG3 LYS A 13 -14.245 -15.596 -23.591 1.00 43.00 H new ATOM 0 HD2 LYS A 13 -15.324 -17.490 -24.690 1.00 74.00 H new ATOM 0 HD3 LYS A 13 -13.693 -17.947 -24.241 1.00 74.00 H new ATOM 0 HE2 LYS A 13 -14.518 -19.113 -22.236 1.00 22.00 H new ATOM 0 HE3 LYS A 13 -16.151 -18.553 -22.539 1.00 22.00 H new ATOM 0 HZ1 LYS A 13 -15.663 -20.873 -23.215 1.00 42.00 H new ATOM 0 HZ2 LYS A 13 -16.321 -19.899 -24.440 1.00 42.00 H new ATOM 0 HZ3 LYS A 13 -14.662 -20.259 -24.441 1.00 42.00 H new ATOM 206 N PRO A 14 -12.083 -16.623 -19.129 1.00 20.00 N ATOM 207 CA PRO A 14 -10.844 -16.280 -18.513 1.00 44.00 C ATOM 208 C PRO A 14 -9.749 -16.101 -19.588 1.00 74.00 C ATOM 209 O PRO A 14 -9.885 -16.583 -20.705 1.00 31.00 O ATOM 210 CB PRO A 14 -10.554 -17.452 -17.585 1.00 33.00 C ATOM 211 CG PRO A 14 -11.219 -18.626 -18.233 1.00 21.00 C ATOM 212 CD PRO A 14 -12.373 -18.077 -19.042 1.00 60.00 C ATOM 0 HA PRO A 14 -10.876 -15.337 -17.967 1.00 44.00 H new ATOM 0 HB2 PRO A 14 -9.482 -17.615 -17.477 1.00 33.00 H new ATOM 0 HB3 PRO A 14 -10.952 -17.274 -16.586 1.00 33.00 H new ATOM 0 HG2 PRO A 14 -10.519 -19.164 -18.872 1.00 21.00 H new ATOM 0 HG3 PRO A 14 -11.573 -19.333 -17.483 1.00 21.00 H new ATOM 0 HD2 PRO A 14 -12.423 -18.535 -20.030 1.00 60.00 H new ATOM 0 HD3 PRO A 14 -13.329 -18.266 -18.554 1.00 60.00 H new ATOM 220 N LEU A 15 -8.674 -15.432 -19.246 1.00 72.00 N ATOM 221 CA LEU A 15 -7.638 -15.138 -20.211 1.00 71.00 C ATOM 222 C LEU A 15 -6.327 -15.728 -19.763 1.00 52.00 C ATOM 223 O LEU A 15 -5.358 -15.005 -19.435 1.00 22.00 O ATOM 224 CB LEU A 15 -7.480 -13.640 -20.387 1.00 1.00 C ATOM 225 CG LEU A 15 -6.482 -13.193 -21.447 1.00 23.00 C ATOM 226 CD1 LEU A 15 -6.935 -13.613 -22.833 1.00 40.00 C ATOM 227 CD2 LEU A 15 -6.242 -11.709 -21.349 1.00 25.00 C ATOM 0 H LEU A 15 -8.492 -15.080 -18.306 1.00 72.00 H new ATOM 0 HA LEU A 15 -7.928 -15.579 -21.165 1.00 71.00 H new ATOM 0 HB2 LEU A 15 -8.455 -13.219 -20.633 1.00 1.00 H new ATOM 0 HB3 LEU A 15 -7.180 -13.212 -19.431 1.00 1.00 H new ATOM 0 HG LEU A 15 -5.529 -13.690 -21.264 1.00 23.00 H new ATOM 0 HD11 LEU A 15 -6.204 -13.281 -23.571 1.00 40.00 H new ATOM 0 HD12 LEU A 15 -7.024 -14.699 -22.873 1.00 40.00 H new ATOM 0 HD13 LEU A 15 -7.902 -13.161 -23.052 1.00 40.00 H new ATOM 0 HD21 LEU A 15 -5.527 -11.405 -22.113 1.00 25.00 H new ATOM 0 HD22 LEU A 15 -7.182 -11.178 -21.500 1.00 25.00 H new ATOM 0 HD23 LEU A 15 -5.844 -11.469 -20.363 1.00 25.00 H new ATOM 239 N THR A 16 -6.297 -16.989 -19.658 1.00 61.00 N ATOM 240 CA THR A 16 -5.116 -17.632 -19.256 1.00 13.00 C ATOM 241 C THR A 16 -4.319 -17.962 -20.508 1.00 13.00 C ATOM 242 O THR A 16 -4.648 -18.873 -21.262 1.00 22.00 O ATOM 243 CB THR A 16 -5.437 -18.881 -18.439 1.00 54.00 C ATOM 244 OG1 THR A 16 -6.610 -18.593 -17.645 1.00 23.00 O ATOM 245 CG2 THR A 16 -4.284 -19.178 -17.502 1.00 70.00 C ATOM 0 H THR A 16 -7.086 -17.608 -19.847 1.00 61.00 H new ATOM 0 HA THR A 16 -4.523 -16.984 -18.610 1.00 13.00 H new ATOM 0 HB THR A 16 -5.603 -19.735 -19.096 1.00 54.00 H new ATOM 0 HG1 THR A 16 -6.843 -19.379 -17.109 1.00 23.00 H new ATOM 0 HG21 THR A 16 -4.511 -20.070 -16.917 1.00 70.00 H new ATOM 0 HG22 THR A 16 -3.377 -19.346 -18.083 1.00 70.00 H new ATOM 0 HG23 THR A 16 -4.134 -18.332 -16.831 1.00 70.00 H new ATOM 253 N VAL A 17 -3.332 -17.161 -20.745 1.00 42.00 N ATOM 254 CA VAL A 17 -2.528 -17.246 -21.928 1.00 22.00 C ATOM 255 C VAL A 17 -1.183 -17.733 -21.560 1.00 11.00 C ATOM 256 O VAL A 17 -0.610 -17.267 -20.591 1.00 32.00 O ATOM 257 CB VAL A 17 -2.374 -15.854 -22.573 1.00 14.00 C ATOM 258 CG1 VAL A 17 -1.423 -15.884 -23.765 1.00 44.00 C ATOM 259 CG2 VAL A 17 -3.719 -15.316 -22.999 1.00 31.00 C ATOM 0 H VAL A 17 -3.053 -16.412 -20.111 1.00 42.00 H new ATOM 0 HA VAL A 17 -3.010 -17.924 -22.632 1.00 22.00 H new ATOM 0 HB VAL A 17 -1.945 -15.193 -21.820 1.00 14.00 H new ATOM 0 HG11 VAL A 17 -1.342 -14.884 -24.191 1.00 44.00 H new ATOM 0 HG12 VAL A 17 -0.439 -16.220 -23.437 1.00 44.00 H new ATOM 0 HG13 VAL A 17 -1.807 -16.570 -24.520 1.00 44.00 H new ATOM 0 HG21 VAL A 17 -3.591 -14.333 -23.452 1.00 31.00 H new ATOM 0 HG22 VAL A 17 -4.169 -15.994 -23.724 1.00 31.00 H new ATOM 0 HG23 VAL A 17 -4.370 -15.232 -22.129 1.00 31.00 H new ATOM 269 N LYS A 18 -0.672 -18.636 -22.321 1.00 14.00 N ATOM 270 CA LYS A 18 0.639 -19.113 -22.088 1.00 0.00 C ATOM 271 C LYS A 18 1.527 -18.364 -23.005 1.00 24.00 C ATOM 272 O LYS A 18 1.700 -18.762 -24.159 1.00 52.00 O ATOM 273 CB LYS A 18 0.791 -20.621 -22.368 1.00 13.00 C ATOM 274 CG LYS A 18 0.238 -21.608 -21.328 1.00 53.00 C ATOM 275 CD LYS A 18 -1.196 -21.335 -20.939 1.00 51.00 C ATOM 276 CE LYS A 18 -1.839 -22.534 -20.253 1.00 40.00 C ATOM 277 NZ LYS A 18 -1.101 -22.979 -19.061 1.00 61.00 N ATOM 0 H LYS A 18 -1.149 -19.060 -23.116 1.00 14.00 H new ATOM 0 HA LYS A 18 0.887 -18.966 -21.037 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.307 -20.834 -23.321 1.00 13.00 H new ATOM 0 HB3 LYS A 18 1.853 -20.831 -22.496 1.00 13.00 H new ATOM 0 HG2 LYS A 18 0.312 -22.620 -21.725 1.00 53.00 H new ATOM 0 HG3 LYS A 18 0.862 -21.569 -20.435 1.00 53.00 H new ATOM 0 HD2 LYS A 18 -1.233 -20.473 -20.273 1.00 51.00 H new ATOM 0 HD3 LYS A 18 -1.770 -21.075 -21.829 1.00 51.00 H new ATOM 0 HE2 LYS A 18 -2.859 -22.278 -19.967 1.00 40.00 H new ATOM 0 HE3 LYS A 18 -1.904 -23.359 -20.962 1.00 40.00 H new ATOM 0 HZ1 LYS A 18 -1.646 -23.717 -18.571 1.00 61.00 H new ATOM 0 HZ2 LYS A 18 -0.178 -23.363 -19.347 1.00 61.00 H new ATOM 0 HZ3 LYS A 18 -0.957 -22.172 -18.421 1.00 61.00 H new ATOM 291 N LEU A 19 1.969 -17.226 -22.563 1.00 32.00 N ATOM 292 CA LEU A 19 2.928 -16.491 -23.299 1.00 21.00 C ATOM 293 C LEU A 19 4.188 -17.235 -23.197 1.00 61.00 C ATOM 294 O LEU A 19 4.814 -17.282 -22.135 1.00 12.00 O ATOM 295 CB LEU A 19 3.131 -15.077 -22.768 1.00 51.00 C ATOM 296 CG LEU A 19 2.325 -13.946 -23.391 1.00 65.00 C ATOM 297 CD1 LEU A 19 2.624 -12.661 -22.643 1.00 33.00 C ATOM 298 CD2 LEU A 19 2.705 -13.766 -24.851 1.00 44.00 C ATOM 0 H LEU A 19 1.673 -16.791 -21.689 1.00 32.00 H new ATOM 0 HA LEU A 19 2.583 -16.383 -24.327 1.00 21.00 H new ATOM 0 HB2 LEU A 19 2.914 -15.089 -21.700 1.00 51.00 H new ATOM 0 HB3 LEU A 19 4.187 -14.830 -22.876 1.00 51.00 H new ATOM 0 HG LEU A 19 1.264 -14.188 -23.328 1.00 65.00 H new ATOM 0 HD11 LEU A 19 2.052 -11.843 -23.081 1.00 33.00 H new ATOM 0 HD12 LEU A 19 2.347 -12.777 -21.595 1.00 33.00 H new ATOM 0 HD13 LEU A 19 3.688 -12.438 -22.714 1.00 33.00 H new ATOM 0 HD21 LEU A 19 2.120 -12.954 -25.282 1.00 44.00 H new ATOM 0 HD22 LEU A 19 3.766 -13.527 -24.924 1.00 44.00 H new ATOM 0 HD23 LEU A 19 2.502 -14.688 -25.396 1.00 44.00 H new ATOM 310 N ASN A 20 4.534 -17.868 -24.247 1.00 42.00 N ATOM 311 CA ASN A 20 5.765 -18.617 -24.250 1.00 21.00 C ATOM 312 C ASN A 20 6.849 -17.590 -24.269 1.00 21.00 C ATOM 313 O ASN A 20 6.776 -16.694 -25.067 1.00 10.00 O ATOM 314 CB ASN A 20 5.872 -19.507 -25.484 1.00 14.00 C ATOM 315 CG ASN A 20 7.003 -20.505 -25.353 1.00 72.00 C ATOM 316 OD1 ASN A 20 7.340 -20.912 -24.255 1.00 30.00 O ATOM 317 ND2 ASN A 20 7.576 -20.924 -26.448 1.00 12.00 N ATOM 0 H ASN A 20 4.002 -17.895 -25.117 1.00 42.00 H new ATOM 0 HA ASN A 20 5.827 -19.276 -23.384 1.00 21.00 H new ATOM 0 HB2 ASN A 20 4.932 -20.038 -25.633 1.00 14.00 H new ATOM 0 HB3 ASN A 20 6.032 -18.888 -26.367 1.00 14.00 H new ATOM 0 HD21 ASN A 20 8.328 -21.611 -26.399 1.00 12.00 H new ATOM 0 HD22 ASN A 20 7.272 -20.564 -27.353 1.00 12.00 H new ATOM 324 N ASN A 21 7.827 -17.713 -23.389 1.00 63.00 N ATOM 325 CA ASN A 21 8.831 -16.645 -23.147 1.00 2.00 C ATOM 326 C ASN A 21 9.494 -16.023 -24.424 1.00 44.00 C ATOM 327 O ASN A 21 9.694 -14.804 -24.460 1.00 60.00 O ATOM 328 CB ASN A 21 9.903 -17.065 -22.160 1.00 62.00 C ATOM 329 CG ASN A 21 10.605 -15.856 -21.553 1.00 44.00 C ATOM 330 OD1 ASN A 21 11.825 -15.859 -21.370 1.00 52.00 O ATOM 331 ND2 ASN A 21 9.836 -14.850 -21.145 1.00 4.00 N ATOM 0 H ASN A 21 7.963 -18.545 -22.815 1.00 63.00 H new ATOM 0 HA ASN A 21 8.227 -15.848 -22.713 1.00 2.00 H new ATOM 0 HB2 ASN A 21 9.455 -17.664 -21.367 1.00 62.00 H new ATOM 0 HB3 ASN A 21 10.634 -17.698 -22.662 1.00 62.00 H new ATOM 0 HD21 ASN A 21 10.252 -14.052 -20.666 1.00 4.00 H new ATOM 0 HD22 ASN A 21 8.830 -14.877 -21.311 1.00 4.00 H new ATOM 338 N PRO A 22 9.874 -16.827 -25.492 1.00 3.00 N ATOM 339 CA PRO A 22 10.390 -16.248 -26.766 1.00 4.00 C ATOM 340 C PRO A 22 9.333 -15.350 -27.448 1.00 42.00 C ATOM 341 O PRO A 22 9.649 -14.502 -28.287 1.00 2.00 O ATOM 342 CB PRO A 22 10.653 -17.482 -27.635 1.00 34.00 C ATOM 343 CG PRO A 22 10.832 -18.600 -26.671 1.00 72.00 C ATOM 344 CD PRO A 22 9.932 -18.308 -25.515 1.00 44.00 C ATOM 0 HA PRO A 22 11.268 -15.621 -26.608 1.00 4.00 H new ATOM 0 HB2 PRO A 22 9.820 -17.673 -28.311 1.00 34.00 H new ATOM 0 HB3 PRO A 22 11.541 -17.348 -28.253 1.00 34.00 H new ATOM 0 HG2 PRO A 22 10.576 -19.554 -27.131 1.00 72.00 H new ATOM 0 HG3 PRO A 22 11.870 -18.671 -26.347 1.00 72.00 H new ATOM 0 HD2 PRO A 22 8.944 -18.747 -25.654 1.00 44.00 H new ATOM 0 HD3 PRO A 22 10.331 -18.709 -24.583 1.00 44.00 H new ATOM 352 N ARG A 23 8.095 -15.562 -27.038 1.00 44.00 N ATOM 353 CA ARG A 23 6.903 -14.844 -27.466 1.00 22.00 C ATOM 354 C ARG A 23 6.649 -14.919 -28.928 1.00 34.00 C ATOM 355 O ARG A 23 6.645 -13.938 -29.655 1.00 4.00 O ATOM 356 CB ARG A 23 6.832 -13.457 -26.881 1.00 22.00 C ATOM 357 CG ARG A 23 6.790 -13.527 -25.367 1.00 30.00 C ATOM 358 CD ARG A 23 6.893 -12.172 -24.699 1.00 42.00 C ATOM 359 NE ARG A 23 7.003 -12.309 -23.235 1.00 34.00 N ATOM 360 CZ ARG A 23 7.428 -11.359 -22.390 1.00 33.00 C ATOM 361 NH1 ARG A 23 7.823 -10.169 -22.838 1.00 72.00 N ATOM 362 NH2 ARG A 23 7.502 -11.631 -21.108 1.00 11.00 N ATOM 0 H ARG A 23 7.880 -16.287 -26.353 1.00 44.00 H new ATOM 0 HA ARG A 23 6.053 -15.377 -27.039 1.00 22.00 H new ATOM 0 HB2 ARG A 23 7.696 -12.875 -27.201 1.00 22.00 H new ATOM 0 HB3 ARG A 23 5.946 -12.943 -27.253 1.00 22.00 H new ATOM 0 HG2 ARG A 23 5.861 -14.006 -25.059 1.00 30.00 H new ATOM 0 HG3 ARG A 23 7.606 -14.159 -25.017 1.00 30.00 H new ATOM 0 HD2 ARG A 23 7.762 -11.639 -25.084 1.00 42.00 H new ATOM 0 HD3 ARG A 23 6.016 -11.573 -24.947 1.00 42.00 H new ATOM 0 HE ARG A 23 6.732 -13.205 -22.830 1.00 34.00 H new ATOM 0 HH11 ARG A 23 7.805 -9.969 -23.838 1.00 72.00 H new ATOM 0 HH12 ARG A 23 8.143 -9.457 -22.181 1.00 72.00 H new ATOM 0 HH21 ARG A 23 7.238 -12.555 -20.767 1.00 11.00 H new ATOM 0 HH22 ARG A 23 7.824 -10.918 -20.453 1.00 11.00 H new ATOM 376 N GLN A 24 6.523 -16.127 -29.350 1.00 31.00 N ATOM 377 CA GLN A 24 6.195 -16.458 -30.682 1.00 25.00 C ATOM 378 C GLN A 24 4.935 -17.310 -30.649 1.00 1.00 C ATOM 379 O GLN A 24 4.333 -17.592 -31.672 1.00 55.00 O ATOM 380 CB GLN A 24 7.341 -17.226 -31.347 1.00 50.00 C ATOM 381 CG GLN A 24 8.681 -16.503 -31.315 1.00 11.00 C ATOM 382 CD GLN A 24 9.804 -17.335 -31.889 1.00 63.00 C ATOM 383 OE1 GLN A 24 10.110 -17.274 -33.078 1.00 2.00 O ATOM 384 NE2 GLN A 24 10.411 -18.136 -31.060 1.00 32.00 N ATOM 0 H GLN A 24 6.652 -16.941 -28.749 1.00 31.00 H new ATOM 0 HA GLN A 24 6.028 -15.552 -31.264 1.00 25.00 H new ATOM 0 HB2 GLN A 24 7.450 -18.192 -30.853 1.00 50.00 H new ATOM 0 HB3 GLN A 24 7.074 -17.427 -32.385 1.00 50.00 H new ATOM 0 HG2 GLN A 24 8.601 -15.572 -31.876 1.00 11.00 H new ATOM 0 HG3 GLN A 24 8.921 -16.236 -30.286 1.00 11.00 H new ATOM 0 HE21 GLN A 24 10.132 -18.162 -30.079 1.00 32.00 H new ATOM 0 HE22 GLN A 24 11.165 -18.737 -31.392 1.00 32.00 H new ATOM 393 N GLU A 25 4.516 -17.660 -29.432 1.00 52.00 N ATOM 394 CA GLU A 25 3.389 -18.545 -29.209 1.00 0.00 C ATOM 395 C GLU A 25 2.657 -18.199 -27.966 1.00 5.00 C ATOM 396 O GLU A 25 3.246 -17.715 -26.987 1.00 33.00 O ATOM 397 CB GLU A 25 3.814 -19.993 -29.052 1.00 75.00 C ATOM 398 CG GLU A 25 4.108 -20.734 -30.313 1.00 55.00 C ATOM 399 CD GLU A 25 4.557 -22.123 -30.005 1.00 31.00 C ATOM 400 OE1 GLU A 25 5.700 -22.291 -29.523 1.00 41.00 O ATOM 401 OE2 GLU A 25 3.778 -23.071 -30.199 1.00 5.00 O ATOM 0 H GLU A 25 4.957 -17.331 -28.573 1.00 52.00 H new ATOM 0 HA GLU A 25 2.759 -18.421 -30.090 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.703 -20.023 -28.422 1.00 75.00 H new ATOM 0 HB3 GLU A 25 3.027 -20.525 -28.518 1.00 75.00 H new ATOM 0 HG2 GLU A 25 3.218 -20.763 -30.941 1.00 55.00 H new ATOM 0 HG3 GLU A 25 4.880 -20.212 -30.878 1.00 55.00 H new ATOM 408 N VAL A 26 1.387 -18.430 -28.022 1.00 41.00 N ATOM 409 CA VAL A 26 0.515 -18.369 -26.884 1.00 1.00 C ATOM 410 C VAL A 26 -0.374 -19.571 -26.897 1.00 73.00 C ATOM 411 O VAL A 26 -0.901 -19.947 -27.934 1.00 55.00 O ATOM 412 CB VAL A 26 -0.371 -17.090 -26.836 1.00 54.00 C ATOM 413 CG1 VAL A 26 0.452 -15.836 -26.715 1.00 72.00 C ATOM 414 CG2 VAL A 26 -1.345 -16.990 -28.000 1.00 14.00 C ATOM 0 H VAL A 26 0.907 -18.675 -28.888 1.00 41.00 H new ATOM 0 HA VAL A 26 1.152 -18.341 -26.000 1.00 1.00 H new ATOM 0 HB VAL A 26 -0.972 -17.188 -25.932 1.00 54.00 H new ATOM 0 HG11 VAL A 26 -0.208 -14.969 -26.685 1.00 72.00 H new ATOM 0 HG12 VAL A 26 1.042 -15.875 -25.799 1.00 72.00 H new ATOM 0 HG13 VAL A 26 1.119 -15.755 -27.573 1.00 72.00 H new ATOM 0 HG21 VAL A 26 -1.932 -16.076 -27.906 1.00 14.00 H new ATOM 0 HG22 VAL A 26 -0.790 -16.970 -28.938 1.00 14.00 H new ATOM 0 HG23 VAL A 26 -2.012 -17.852 -27.991 1.00 14.00 H new ATOM 424 N SER A 27 -0.458 -20.237 -25.805 1.00 73.00 N ATOM 425 CA SER A 27 -1.453 -21.236 -25.673 1.00 65.00 C ATOM 426 C SER A 27 -2.556 -20.595 -24.896 1.00 41.00 C ATOM 427 O SER A 27 -2.382 -20.206 -23.753 1.00 22.00 O ATOM 428 CB SER A 27 -0.931 -22.497 -25.005 1.00 71.00 C ATOM 429 OG SER A 27 0.210 -22.998 -25.703 1.00 11.00 O ATOM 0 H SER A 27 0.146 -20.110 -24.993 1.00 73.00 H new ATOM 0 HA SER A 27 -1.799 -21.579 -26.648 1.00 65.00 H new ATOM 0 HB2 SER A 27 -0.666 -22.284 -23.969 1.00 71.00 H new ATOM 0 HB3 SER A 27 -1.714 -23.255 -24.984 1.00 71.00 H new ATOM 0 HG SER A 27 0.535 -23.809 -25.259 1.00 11.00 H new ATOM 435 N PHE A 28 -3.632 -20.428 -25.531 1.00 65.00 N ATOM 436 CA PHE A 28 -4.716 -19.702 -25.016 1.00 74.00 C ATOM 437 C PHE A 28 -5.884 -20.601 -24.778 1.00 15.00 C ATOM 438 O PHE A 28 -5.991 -21.671 -25.352 1.00 71.00 O ATOM 439 CB PHE A 28 -4.992 -18.495 -25.934 1.00 71.00 C ATOM 440 CG PHE A 28 -6.362 -17.882 -25.867 1.00 23.00 C ATOM 441 CD1 PHE A 28 -6.725 -17.052 -24.825 1.00 73.00 C ATOM 442 CD2 PHE A 28 -7.292 -18.156 -26.859 1.00 42.00 C ATOM 443 CE1 PHE A 28 -7.986 -16.508 -24.773 1.00 73.00 C ATOM 444 CE2 PHE A 28 -8.553 -17.617 -26.810 1.00 24.00 C ATOM 445 CZ PHE A 28 -8.903 -16.790 -25.766 1.00 14.00 C ATOM 0 H PHE A 28 -3.796 -20.806 -26.464 1.00 65.00 H new ATOM 0 HA PHE A 28 -4.485 -19.290 -24.033 1.00 74.00 H new ATOM 0 HB2 PHE A 28 -4.263 -17.719 -25.701 1.00 71.00 H new ATOM 0 HB3 PHE A 28 -4.810 -18.804 -26.963 1.00 71.00 H new ATOM 0 HD1 PHE A 28 -6.012 -16.829 -24.045 1.00 73.00 H new ATOM 0 HD2 PHE A 28 -7.020 -18.802 -27.681 1.00 42.00 H new ATOM 0 HE1 PHE A 28 -8.260 -15.859 -23.954 1.00 73.00 H new ATOM 0 HE2 PHE A 28 -9.268 -17.841 -27.588 1.00 24.00 H new ATOM 0 HZ PHE A 28 -9.894 -16.362 -25.724 1.00 14.00 H new ATOM 455 N VAL A 29 -6.710 -20.167 -23.933 1.00 43.00 N ATOM 456 CA VAL A 29 -7.792 -20.893 -23.442 1.00 24.00 C ATOM 457 C VAL A 29 -9.084 -20.525 -24.171 1.00 45.00 C ATOM 458 O VAL A 29 -9.583 -19.417 -24.093 1.00 22.00 O ATOM 459 CB VAL A 29 -7.879 -20.680 -21.910 1.00 73.00 C ATOM 460 CG1 VAL A 29 -8.076 -19.209 -21.531 1.00 34.00 C ATOM 461 CG2 VAL A 29 -8.896 -21.600 -21.273 1.00 1.00 C ATOM 0 H VAL A 29 -6.646 -19.229 -23.537 1.00 43.00 H new ATOM 0 HA VAL A 29 -7.645 -21.956 -23.630 1.00 24.00 H new ATOM 0 HB VAL A 29 -6.911 -20.959 -21.494 1.00 73.00 H new ATOM 0 HG11 VAL A 29 -8.130 -19.117 -20.446 1.00 34.00 H new ATOM 0 HG12 VAL A 29 -7.237 -18.622 -21.903 1.00 34.00 H new ATOM 0 HG13 VAL A 29 -9.001 -18.840 -21.973 1.00 34.00 H new ATOM 0 HG21 VAL A 29 -8.927 -21.420 -20.198 1.00 1.00 H new ATOM 0 HG22 VAL A 29 -9.880 -21.408 -21.702 1.00 1.00 H new ATOM 0 HG23 VAL A 29 -8.616 -22.637 -21.459 1.00 1.00 H new ATOM 471 N TYR A 30 -9.571 -21.458 -24.923 1.00 21.00 N ATOM 472 CA TYR A 30 -10.833 -21.287 -25.633 1.00 15.00 C ATOM 473 C TYR A 30 -11.973 -21.333 -24.650 1.00 61.00 C ATOM 474 O TYR A 30 -12.966 -20.607 -24.775 1.00 52.00 O ATOM 475 CB TYR A 30 -11.022 -22.375 -26.709 1.00 13.00 C ATOM 476 CG TYR A 30 -12.415 -22.393 -27.328 1.00 1.00 C ATOM 477 CD1 TYR A 30 -12.807 -21.423 -28.233 1.00 2.00 C ATOM 478 CD2 TYR A 30 -13.336 -23.384 -26.991 1.00 31.00 C ATOM 479 CE1 TYR A 30 -14.072 -21.435 -28.787 1.00 63.00 C ATOM 480 CE2 TYR A 30 -14.602 -23.400 -27.544 1.00 51.00 C ATOM 481 CZ TYR A 30 -14.963 -22.422 -28.444 1.00 0.00 C ATOM 482 OH TYR A 30 -16.224 -22.431 -29.009 1.00 54.00 O ATOM 0 H TYR A 30 -9.122 -22.361 -25.073 1.00 21.00 H new ATOM 0 HA TYR A 30 -10.817 -20.319 -26.134 1.00 15.00 H new ATOM 0 HB2 TYR A 30 -10.286 -22.224 -27.498 1.00 13.00 H new ATOM 0 HB3 TYR A 30 -10.819 -23.350 -26.266 1.00 13.00 H new ATOM 0 HD1 TYR A 30 -12.113 -20.644 -28.511 1.00 2.00 H new ATOM 0 HD2 TYR A 30 -13.055 -24.152 -26.286 1.00 31.00 H new ATOM 0 HE1 TYR A 30 -14.361 -20.668 -29.490 1.00 63.00 H new ATOM 0 HE2 TYR A 30 -15.304 -24.174 -27.272 1.00 51.00 H new ATOM 0 HH TYR A 30 -16.732 -23.194 -28.663 1.00 54.00 H new ATOM 492 N ASP A 31 -11.821 -22.174 -23.666 1.00 43.00 N ATOM 493 CA ASP A 31 -12.842 -22.376 -22.676 1.00 52.00 C ATOM 494 C ASP A 31 -12.243 -23.119 -21.509 1.00 13.00 C ATOM 495 O ASP A 31 -12.087 -22.577 -20.420 1.00 24.00 O ATOM 496 CB ASP A 31 -14.007 -23.165 -23.278 1.00 64.00 C ATOM 497 CG ASP A 31 -15.176 -23.271 -22.352 1.00 3.00 C ATOM 498 OD1 ASP A 31 -16.020 -22.353 -22.353 1.00 22.00 O ATOM 499 OD2 ASP A 31 -15.291 -24.277 -21.632 1.00 12.00 O ATOM 0 H ASP A 31 -10.984 -22.740 -23.527 1.00 43.00 H new ATOM 0 HA ASP A 31 -13.226 -21.415 -22.334 1.00 52.00 H new ATOM 0 HB2 ASP A 31 -14.325 -22.685 -24.203 1.00 64.00 H new ATOM 0 HB3 ASP A 31 -13.665 -24.166 -23.540 1.00 64.00 H new ATOM 504 N ASN A 32 -11.874 -24.353 -21.751 1.00 34.00 N ATOM 505 CA ASN A 32 -11.202 -25.160 -20.755 1.00 21.00 C ATOM 506 C ASN A 32 -10.162 -26.013 -21.479 1.00 60.00 C ATOM 507 O ASN A 32 -9.649 -26.989 -20.970 1.00 64.00 O ATOM 508 CB ASN A 32 -12.231 -26.033 -19.996 1.00 53.00 C ATOM 509 CG ASN A 32 -11.676 -26.654 -18.711 1.00 0.00 C ATOM 510 OD1 ASN A 32 -11.726 -26.032 -17.645 1.00 41.00 O ATOM 511 ND2 ASN A 32 -11.195 -27.868 -18.781 1.00 65.00 N ATOM 0 H ASN A 32 -12.029 -24.828 -22.640 1.00 34.00 H new ATOM 0 HA ASN A 32 -10.706 -24.535 -20.012 1.00 21.00 H new ATOM 0 HB2 ASN A 32 -13.101 -25.424 -19.749 1.00 53.00 H new ATOM 0 HB3 ASN A 32 -12.576 -26.829 -20.655 1.00 53.00 H new ATOM 0 HD21 ASN A 32 -10.847 -28.328 -17.940 1.00 65.00 H new ATOM 0 HD22 ASN A 32 -11.168 -28.355 -19.677 1.00 65.00 H new ATOM 518 N GLN A 33 -9.801 -25.569 -22.659 1.00 25.00 N ATOM 519 CA GLN A 33 -8.879 -26.258 -23.491 1.00 33.00 C ATOM 520 C GLN A 33 -7.952 -25.217 -23.979 1.00 63.00 C ATOM 521 O GLN A 33 -8.337 -24.023 -24.058 1.00 34.00 O ATOM 522 CB GLN A 33 -9.583 -26.949 -24.662 1.00 12.00 C ATOM 523 CG GLN A 33 -10.228 -25.981 -25.623 1.00 61.00 C ATOM 524 CD GLN A 33 -10.962 -26.652 -26.755 1.00 24.00 C ATOM 525 OE1 GLN A 33 -12.149 -26.949 -26.655 1.00 14.00 O ATOM 526 NE2 GLN A 33 -10.273 -26.894 -27.832 1.00 60.00 N ATOM 0 H GLN A 33 -10.154 -24.702 -23.064 1.00 25.00 H new ATOM 0 HA GLN A 33 -8.364 -27.049 -22.946 1.00 33.00 H new ATOM 0 HB2 GLN A 33 -8.860 -27.560 -25.202 1.00 12.00 H new ATOM 0 HB3 GLN A 33 -10.344 -27.625 -24.272 1.00 12.00 H new ATOM 0 HG2 GLN A 33 -10.925 -25.348 -25.074 1.00 61.00 H new ATOM 0 HG3 GLN A 33 -9.460 -25.327 -26.036 1.00 61.00 H new ATOM 0 HE21 GLN A 33 -9.288 -26.632 -27.877 1.00 60.00 H new ATOM 0 HE22 GLN A 33 -10.718 -27.346 -28.631 1.00 60.00 H new ATOM 535 N LEU A 34 -6.783 -25.601 -24.290 1.00 51.00 N ATOM 536 CA LEU A 34 -5.800 -24.660 -24.651 1.00 2.00 C ATOM 537 C LEU A 34 -5.376 -24.886 -26.094 1.00 4.00 C ATOM 538 O LEU A 34 -5.104 -26.018 -26.504 1.00 33.00 O ATOM 539 CB LEU A 34 -4.575 -24.723 -23.697 1.00 71.00 C ATOM 540 CG LEU A 34 -4.739 -24.258 -22.212 1.00 62.00 C ATOM 541 CD1 LEU A 34 -5.166 -22.826 -22.115 1.00 21.00 C ATOM 542 CD2 LEU A 34 -5.664 -25.164 -21.401 1.00 14.00 C ATOM 0 H LEU A 34 -6.476 -26.574 -24.303 1.00 51.00 H new ATOM 0 HA LEU A 34 -6.229 -23.662 -24.560 1.00 2.00 H new ATOM 0 HB2 LEU A 34 -4.225 -25.755 -23.681 1.00 71.00 H new ATOM 0 HB3 LEU A 34 -3.781 -24.124 -24.143 1.00 71.00 H new ATOM 0 HG LEU A 34 -3.748 -24.341 -21.766 1.00 62.00 H new ATOM 0 HD11 LEU A 34 -5.267 -22.547 -21.066 1.00 21.00 H new ATOM 0 HD12 LEU A 34 -4.418 -22.190 -22.589 1.00 21.00 H new ATOM 0 HD13 LEU A 34 -6.124 -22.697 -22.619 1.00 21.00 H new ATOM 0 HD21 LEU A 34 -5.737 -24.789 -20.380 1.00 14.00 H new ATOM 0 HD22 LEU A 34 -6.655 -25.173 -21.856 1.00 14.00 H new ATOM 0 HD23 LEU A 34 -5.261 -26.177 -21.388 1.00 14.00 H new ATOM 554 N LEU A 35 -5.364 -23.843 -26.861 1.00 1.00 N ATOM 555 CA LEU A 35 -4.933 -23.910 -28.236 1.00 25.00 C ATOM 556 C LEU A 35 -3.784 -22.952 -28.429 1.00 1.00 C ATOM 557 O LEU A 35 -3.782 -21.864 -27.856 1.00 53.00 O ATOM 558 CB LEU A 35 -6.082 -23.646 -29.265 1.00 43.00 C ATOM 559 CG LEU A 35 -6.705 -22.229 -29.357 1.00 53.00 C ATOM 560 CD1 LEU A 35 -7.639 -22.162 -30.532 1.00 64.00 C ATOM 561 CD2 LEU A 35 -7.471 -21.855 -28.104 1.00 11.00 C ATOM 0 H LEU A 35 -5.653 -22.913 -26.558 1.00 1.00 H new ATOM 0 HA LEU A 35 -4.607 -24.931 -28.437 1.00 25.00 H new ATOM 0 HB2 LEU A 35 -5.702 -23.902 -30.254 1.00 43.00 H new ATOM 0 HB3 LEU A 35 -6.888 -24.345 -29.043 1.00 43.00 H new ATOM 0 HG LEU A 35 -5.883 -21.523 -29.475 1.00 53.00 H new ATOM 0 HD11 LEU A 35 -8.075 -21.165 -30.594 1.00 64.00 H new ATOM 0 HD12 LEU A 35 -7.087 -22.374 -31.448 1.00 64.00 H new ATOM 0 HD13 LEU A 35 -8.433 -22.898 -30.408 1.00 64.00 H new ATOM 0 HD21 LEU A 35 -7.888 -20.854 -28.218 1.00 11.00 H new ATOM 0 HD22 LEU A 35 -8.279 -22.569 -27.945 1.00 11.00 H new ATOM 0 HD23 LEU A 35 -6.798 -21.872 -27.247 1.00 11.00 H new ATOM 573 N HIS A 36 -2.795 -23.360 -29.167 1.00 51.00 N ATOM 574 CA HIS A 36 -1.637 -22.543 -29.380 1.00 31.00 C ATOM 575 C HIS A 36 -1.671 -21.789 -30.683 1.00 34.00 C ATOM 576 O HIS A 36 -1.947 -22.336 -31.754 1.00 21.00 O ATOM 577 CB HIS A 36 -0.307 -23.296 -29.149 1.00 14.00 C ATOM 578 CG HIS A 36 -0.194 -24.659 -29.785 1.00 43.00 C ATOM 579 ND1 HIS A 36 0.220 -25.743 -29.047 1.00 53.00 N ATOM 580 CD2 HIS A 36 -0.413 -25.053 -31.064 1.00 43.00 C ATOM 581 CE1 HIS A 36 0.240 -26.767 -29.895 1.00 50.00 C ATOM 582 NE2 HIS A 36 -0.134 -26.393 -31.117 1.00 32.00 N ATOM 0 H HIS A 36 -2.767 -24.265 -29.637 1.00 51.00 H new ATOM 0 HA HIS A 36 -1.678 -21.780 -28.602 1.00 31.00 H new ATOM 0 HB2 HIS A 36 0.507 -22.675 -29.522 1.00 14.00 H new ATOM 0 HB3 HIS A 36 -0.158 -23.406 -28.075 1.00 14.00 H new ATOM 0 HD2 HIS A 36 -0.743 -24.431 -31.882 1.00 43.00 H new ATOM 0 HE1 HIS A 36 0.524 -27.774 -29.627 1.00 50.00 H new ATOM 0 HE2 HIS A 36 -0.200 -26.993 -31.939 1.00 32.00 H new ATOM 590 N LEU A 37 -1.401 -20.537 -30.569 1.00 74.00 N ATOM 591 CA LEU A 37 -1.406 -19.617 -31.665 1.00 21.00 C ATOM 592 C LEU A 37 -0.043 -19.017 -31.775 1.00 51.00 C ATOM 593 O LEU A 37 0.718 -19.042 -30.806 1.00 71.00 O ATOM 594 CB LEU A 37 -2.407 -18.487 -31.469 1.00 52.00 C ATOM 595 CG LEU A 37 -3.897 -18.811 -31.342 1.00 61.00 C ATOM 596 CD1 LEU A 37 -4.379 -19.793 -32.403 1.00 43.00 C ATOM 597 CD2 LEU A 37 -4.288 -19.227 -29.929 1.00 34.00 C ATOM 0 H LEU A 37 -1.161 -20.103 -29.678 1.00 74.00 H new ATOM 0 HA LEU A 37 -1.689 -20.165 -32.563 1.00 21.00 H new ATOM 0 HB2 LEU A 37 -2.114 -17.944 -30.571 1.00 52.00 H new ATOM 0 HB3 LEU A 37 -2.293 -17.801 -32.308 1.00 52.00 H new ATOM 0 HG LEU A 37 -4.427 -17.879 -31.537 1.00 61.00 H new ATOM 0 HD11 LEU A 37 -5.443 -19.986 -32.264 1.00 43.00 H new ATOM 0 HD12 LEU A 37 -4.214 -19.369 -33.393 1.00 43.00 H new ATOM 0 HD13 LEU A 37 -3.826 -20.728 -32.312 1.00 43.00 H new ATOM 0 HD21 LEU A 37 -5.355 -19.445 -29.896 1.00 34.00 H new ATOM 0 HD22 LEU A 37 -3.727 -20.117 -29.643 1.00 34.00 H new ATOM 0 HD23 LEU A 37 -4.062 -18.417 -29.236 1.00 34.00 H new ATOM 609 N LYS A 38 0.257 -18.426 -32.912 1.00 13.00 N ATOM 610 CA LYS A 38 1.613 -17.962 -33.157 1.00 21.00 C ATOM 611 C LYS A 38 1.704 -16.606 -33.689 1.00 42.00 C ATOM 612 O LYS A 38 0.891 -16.184 -34.513 1.00 42.00 O ATOM 613 CB LYS A 38 2.309 -18.846 -34.115 1.00 21.00 C ATOM 614 CG LYS A 38 2.346 -20.215 -33.642 1.00 34.00 C ATOM 615 CD LYS A 38 3.299 -21.085 -34.439 1.00 3.00 C ATOM 616 CE LYS A 38 2.763 -21.513 -35.824 1.00 62.00 C ATOM 617 NZ LYS A 38 2.640 -20.406 -36.805 1.00 73.00 N ATOM 0 H LYS A 38 -0.403 -18.256 -33.671 1.00 13.00 H new ATOM 0 HA LYS A 38 2.079 -17.976 -32.172 1.00 21.00 H new ATOM 0 HB2 LYS A 38 1.805 -18.807 -35.081 1.00 21.00 H new ATOM 0 HB3 LYS A 38 3.326 -18.486 -34.272 1.00 21.00 H new ATOM 0 HG2 LYS A 38 2.643 -20.225 -32.593 1.00 34.00 H new ATOM 0 HG3 LYS A 38 1.344 -20.640 -33.693 1.00 34.00 H new ATOM 0 HD2 LYS A 38 4.236 -20.546 -34.576 1.00 3.00 H new ATOM 0 HD3 LYS A 38 3.528 -21.979 -33.859 1.00 3.00 H new ATOM 0 HE2 LYS A 38 3.425 -22.275 -36.236 1.00 62.00 H new ATOM 0 HE3 LYS A 38 1.785 -21.977 -35.694 1.00 62.00 H new ATOM 0 HZ1 LYS A 38 2.911 -20.747 -37.749 1.00 73.00 H new ATOM 0 HZ2 LYS A 38 1.656 -20.070 -36.827 1.00 73.00 H new ATOM 0 HZ3 LYS A 38 3.267 -19.624 -36.527 1.00 73.00 H new ATOM 631 N GLN A 39 2.746 -15.966 -33.297 1.00 31.00 N ATOM 632 CA GLN A 39 3.039 -14.620 -33.725 1.00 14.00 C ATOM 633 C GLN A 39 3.803 -14.695 -35.027 1.00 24.00 C ATOM 634 O GLN A 39 5.035 -14.554 -35.081 1.00 61.00 O ATOM 635 CB GLN A 39 3.840 -13.903 -32.683 1.00 63.00 C ATOM 636 CG GLN A 39 4.078 -12.429 -32.954 1.00 11.00 C ATOM 637 CD GLN A 39 5.064 -11.835 -31.981 1.00 41.00 C ATOM 638 OE1 GLN A 39 6.267 -11.819 -32.235 1.00 73.00 O ATOM 639 NE2 GLN A 39 4.586 -11.383 -30.860 1.00 2.00 N ATOM 0 H GLN A 39 3.439 -16.357 -32.659 1.00 31.00 H new ATOM 0 HA GLN A 39 2.113 -14.063 -33.870 1.00 14.00 H new ATOM 0 HB2 GLN A 39 3.331 -14.003 -31.724 1.00 63.00 H new ATOM 0 HB3 GLN A 39 4.806 -14.399 -32.585 1.00 63.00 H new ATOM 0 HG2 GLN A 39 4.449 -12.301 -33.971 1.00 11.00 H new ATOM 0 HG3 GLN A 39 3.133 -11.890 -32.889 1.00 11.00 H new ATOM 0 HE21 GLN A 39 3.582 -11.413 -30.685 1.00 2.00 H new ATOM 0 HE22 GLN A 39 5.215 -10.998 -30.155 1.00 2.00 H new ATOM 648 N GLY A 40 3.086 -15.051 -36.021 1.00 44.00 N ATOM 649 CA GLY A 40 3.628 -15.195 -37.339 1.00 71.00 C ATOM 650 C GLY A 40 3.430 -13.944 -38.124 1.00 32.00 C ATOM 651 O GLY A 40 4.369 -13.177 -38.328 1.00 23.00 O ATOM 0 H GLY A 40 2.089 -15.257 -35.955 1.00 44.00 H new ATOM 0 HA2 GLY A 40 4.691 -15.429 -37.278 1.00 71.00 H new ATOM 0 HA3 GLY A 40 3.147 -16.030 -37.847 1.00 71.00 H new ATOM 655 N ILE A 41 2.207 -13.718 -38.540 1.00 31.00 N ATOM 656 CA ILE A 41 1.851 -12.528 -39.277 1.00 42.00 C ATOM 657 C ILE A 41 1.295 -11.523 -38.291 1.00 42.00 C ATOM 658 O ILE A 41 0.205 -11.710 -37.745 1.00 71.00 O ATOM 659 CB ILE A 41 0.796 -12.786 -40.424 1.00 34.00 C ATOM 660 CG1 ILE A 41 1.336 -13.732 -41.528 1.00 42.00 C ATOM 661 CG2 ILE A 41 0.329 -11.471 -41.053 1.00 23.00 C ATOM 662 CD1 ILE A 41 1.445 -15.198 -41.145 1.00 41.00 C ATOM 0 H ILE A 41 1.428 -14.356 -38.377 1.00 31.00 H new ATOM 0 HA ILE A 41 2.749 -12.160 -39.773 1.00 42.00 H new ATOM 0 HB ILE A 41 -0.053 -13.279 -39.950 1.00 34.00 H new ATOM 0 HG12 ILE A 41 0.687 -13.651 -42.400 1.00 42.00 H new ATOM 0 HG13 ILE A 41 2.322 -13.381 -41.831 1.00 42.00 H new ATOM 0 HG21 ILE A 41 -0.396 -11.681 -41.839 1.00 23.00 H new ATOM 0 HG22 ILE A 41 -0.134 -10.847 -40.289 1.00 23.00 H new ATOM 0 HG23 ILE A 41 1.185 -10.948 -41.480 1.00 23.00 H new ATOM 0 HD11 ILE A 41 1.833 -15.767 -41.990 1.00 41.00 H new ATOM 0 HD12 ILE A 41 2.121 -15.303 -40.296 1.00 41.00 H new ATOM 0 HD13 ILE A 41 0.460 -15.577 -40.874 1.00 41.00 H new ATOM 674 N SER A 42 2.046 -10.500 -38.035 1.00 14.00 N ATOM 675 CA SER A 42 1.666 -9.518 -37.092 1.00 31.00 C ATOM 676 C SER A 42 2.227 -8.182 -37.543 1.00 40.00 C ATOM 677 O SER A 42 3.128 -8.152 -38.405 1.00 41.00 O ATOM 678 CB SER A 42 2.194 -9.921 -35.705 1.00 10.00 C ATOM 679 OG SER A 42 1.726 -9.052 -34.689 1.00 3.00 O ATOM 0 H SER A 42 2.946 -10.328 -38.483 1.00 14.00 H new ATOM 0 HA SER A 42 0.581 -9.434 -37.023 1.00 31.00 H new ATOM 0 HB2 SER A 42 1.884 -10.942 -35.481 1.00 10.00 H new ATOM 0 HB3 SER A 42 3.284 -9.914 -35.715 1.00 10.00 H new ATOM 0 HG SER A 42 2.386 -8.344 -34.534 1.00 3.00 H new ATOM 685 N ALA A 43 1.681 -7.101 -36.980 1.00 22.00 N ATOM 686 CA ALA A 43 2.041 -5.732 -37.281 1.00 53.00 C ATOM 687 C ALA A 43 1.101 -4.808 -36.539 1.00 21.00 C ATOM 688 O ALA A 43 1.514 -3.862 -35.879 1.00 45.00 O ATOM 689 CB ALA A 43 1.959 -5.431 -38.762 1.00 41.00 C ATOM 0 H ALA A 43 0.947 -7.169 -36.275 1.00 22.00 H new ATOM 0 HA ALA A 43 3.074 -5.580 -36.968 1.00 53.00 H new ATOM 0 HB1 ALA A 43 2.238 -4.392 -38.938 1.00 41.00 H new ATOM 0 HB2 ALA A 43 2.640 -6.087 -39.305 1.00 41.00 H new ATOM 0 HB3 ALA A 43 0.940 -5.597 -39.111 1.00 41.00 H new ATOM 695 N SER A 44 -0.177 -5.120 -36.619 1.00 13.00 N ATOM 696 CA SER A 44 -1.223 -4.335 -35.974 1.00 24.00 C ATOM 697 C SER A 44 -1.365 -4.715 -34.485 1.00 42.00 C ATOM 698 O SER A 44 -2.409 -4.526 -33.891 1.00 64.00 O ATOM 699 CB SER A 44 -2.536 -4.595 -36.710 1.00 3.00 C ATOM 700 OG SER A 44 -2.372 -4.395 -38.113 1.00 42.00 O ATOM 0 H SER A 44 -0.526 -5.928 -37.134 1.00 13.00 H new ATOM 0 HA SER A 44 -0.963 -3.277 -36.019 1.00 24.00 H new ATOM 0 HB2 SER A 44 -2.871 -5.615 -36.519 1.00 3.00 H new ATOM 0 HB3 SER A 44 -3.311 -3.929 -36.330 1.00 3.00 H new ATOM 0 HG SER A 44 -3.222 -4.567 -38.570 1.00 42.00 H new ATOM 706 N GLY A 45 -0.293 -5.199 -33.902 1.00 52.00 N ATOM 707 CA GLY A 45 -0.288 -5.654 -32.543 1.00 65.00 C ATOM 708 C GLY A 45 0.686 -6.766 -32.418 1.00 65.00 C ATOM 709 O GLY A 45 1.784 -6.693 -32.973 1.00 22.00 O ATOM 0 H GLY A 45 0.609 -5.286 -34.370 1.00 52.00 H new ATOM 0 HA2 GLY A 45 -0.018 -4.838 -31.872 1.00 65.00 H new ATOM 0 HA3 GLY A 45 -1.284 -5.989 -32.253 1.00 65.00 H new ATOM 713 N ALA A 46 0.280 -7.793 -31.761 1.00 23.00 N ATOM 714 CA ALA A 46 1.032 -8.966 -31.589 1.00 24.00 C ATOM 715 C ALA A 46 0.055 -10.037 -31.831 1.00 14.00 C ATOM 716 O ALA A 46 -0.816 -10.314 -31.002 1.00 21.00 O ATOM 717 CB ALA A 46 1.606 -9.049 -30.205 1.00 13.00 C ATOM 0 H ALA A 46 -0.634 -7.831 -31.309 1.00 23.00 H new ATOM 0 HA ALA A 46 1.892 -9.020 -32.257 1.00 24.00 H new ATOM 0 HB1 ALA A 46 2.182 -9.969 -30.105 1.00 13.00 H new ATOM 0 HB2 ALA A 46 2.256 -8.192 -30.029 1.00 13.00 H new ATOM 0 HB3 ALA A 46 0.797 -9.047 -29.475 1.00 13.00 H new ATOM 723 N ARG A 47 0.100 -10.547 -32.986 1.00 21.00 N ATOM 724 CA ARG A 47 -0.897 -11.436 -33.404 1.00 3.00 C ATOM 725 C ARG A 47 -0.435 -12.849 -33.362 1.00 53.00 C ATOM 726 O ARG A 47 0.451 -13.240 -34.096 1.00 12.00 O ATOM 727 CB ARG A 47 -1.398 -11.110 -34.790 1.00 61.00 C ATOM 728 CG ARG A 47 -2.093 -9.779 -34.916 1.00 11.00 C ATOM 729 CD ARG A 47 -2.548 -9.574 -36.336 1.00 3.00 C ATOM 730 NE ARG A 47 -3.448 -10.654 -36.785 1.00 70.00 N ATOM 731 CZ ARG A 47 -3.774 -10.892 -38.062 1.00 14.00 C ATOM 732 NH1 ARG A 47 -3.329 -10.084 -39.021 1.00 12.00 N ATOM 733 NH2 ARG A 47 -4.546 -11.936 -38.373 1.00 15.00 N ATOM 0 H ARG A 47 0.830 -10.362 -33.674 1.00 21.00 H new ATOM 0 HA ARG A 47 -1.720 -11.318 -32.699 1.00 3.00 H new ATOM 0 HB2 ARG A 47 -0.554 -11.130 -35.480 1.00 61.00 H new ATOM 0 HB3 ARG A 47 -2.086 -11.894 -35.106 1.00 61.00 H new ATOM 0 HG2 ARG A 47 -2.948 -9.740 -34.241 1.00 11.00 H new ATOM 0 HG3 ARG A 47 -1.417 -8.976 -34.621 1.00 11.00 H new ATOM 0 HD2 ARG A 47 -3.061 -8.616 -36.418 1.00 3.00 H new ATOM 0 HD3 ARG A 47 -1.679 -9.528 -36.993 1.00 3.00 H new ATOM 0 HE ARG A 47 -3.850 -11.262 -36.072 1.00 70.00 H new ATOM 0 HH11 ARG A 47 -2.741 -9.285 -38.783 1.00 12.00 H new ATOM 0 HH12 ARG A 47 -3.576 -10.263 -39.994 1.00 12.00 H new ATOM 0 HH21 ARG A 47 -4.889 -12.554 -37.637 1.00 15.00 H new ATOM 0 HH22 ARG A 47 -4.793 -12.116 -39.346 1.00 15.00 H new ATOM 747 N TYR A 48 -1.033 -13.584 -32.511 1.00 52.00 N ATOM 748 CA TYR A 48 -0.819 -14.976 -32.372 1.00 75.00 C ATOM 749 C TYR A 48 -2.001 -15.623 -33.003 1.00 5.00 C ATOM 750 O TYR A 48 -3.122 -15.461 -32.564 1.00 4.00 O ATOM 751 CB TYR A 48 -0.728 -15.325 -30.900 1.00 72.00 C ATOM 752 CG TYR A 48 0.409 -14.630 -30.171 1.00 34.00 C ATOM 753 CD1 TYR A 48 0.238 -13.367 -29.612 1.00 0.00 C ATOM 754 CD2 TYR A 48 1.646 -15.237 -30.038 1.00 35.00 C ATOM 755 CE1 TYR A 48 1.266 -12.736 -28.947 1.00 14.00 C ATOM 756 CE2 TYR A 48 2.681 -14.611 -29.371 1.00 61.00 C ATOM 757 CZ TYR A 48 2.483 -13.363 -28.827 1.00 73.00 C ATOM 758 OH TYR A 48 3.510 -12.735 -28.172 1.00 72.00 O ATOM 0 H TYR A 48 -1.723 -13.216 -31.855 1.00 52.00 H new ATOM 0 HA TYR A 48 0.107 -15.309 -32.841 1.00 75.00 H new ATOM 0 HB2 TYR A 48 -1.669 -15.065 -30.416 1.00 72.00 H new ATOM 0 HB3 TYR A 48 -0.605 -16.403 -30.799 1.00 72.00 H new ATOM 0 HD1 TYR A 48 -0.718 -12.873 -29.701 1.00 0.00 H new ATOM 0 HD2 TYR A 48 1.805 -16.217 -30.463 1.00 35.00 H new ATOM 0 HE1 TYR A 48 1.117 -11.754 -28.522 1.00 14.00 H new ATOM 0 HE2 TYR A 48 3.640 -15.098 -29.277 1.00 61.00 H new ATOM 0 HH TYR A 48 3.144 -12.145 -27.480 1.00 72.00 H new ATOM 768 N THR A 49 -1.782 -16.277 -34.071 1.00 4.00 N ATOM 769 CA THR A 49 -2.832 -16.880 -34.804 1.00 3.00 C ATOM 770 C THR A 49 -2.277 -18.136 -35.443 1.00 11.00 C ATOM 771 O THR A 49 -1.065 -18.244 -35.631 1.00 4.00 O ATOM 772 CB THR A 49 -3.361 -15.889 -35.892 1.00 42.00 C ATOM 773 OG1 THR A 49 -3.797 -14.669 -35.263 1.00 43.00 O ATOM 774 CG2 THR A 49 -4.518 -16.478 -36.701 1.00 33.00 C ATOM 0 H THR A 49 -0.855 -16.415 -34.473 1.00 4.00 H new ATOM 0 HA THR A 49 -3.669 -17.130 -34.152 1.00 3.00 H new ATOM 0 HB THR A 49 -2.539 -15.693 -36.580 1.00 42.00 H new ATOM 0 HG1 THR A 49 -3.393 -13.902 -35.721 1.00 43.00 H new ATOM 0 HG21 THR A 49 -4.850 -15.752 -37.443 1.00 33.00 H new ATOM 0 HG22 THR A 49 -4.185 -17.385 -37.205 1.00 33.00 H new ATOM 0 HG23 THR A 49 -5.345 -16.717 -36.032 1.00 33.00 H new ATOM 782 N ASP A 50 -3.120 -19.086 -35.684 1.00 35.00 N ATOM 783 CA ASP A 50 -2.735 -20.302 -36.357 1.00 74.00 C ATOM 784 C ASP A 50 -3.662 -20.480 -37.541 1.00 61.00 C ATOM 785 O ASP A 50 -3.309 -20.179 -38.675 1.00 11.00 O ATOM 786 CB ASP A 50 -2.814 -21.502 -35.392 1.00 75.00 C ATOM 787 CG ASP A 50 -2.510 -22.831 -36.051 1.00 3.00 C ATOM 788 OD1 ASP A 50 -3.425 -23.432 -36.623 1.00 11.00 O ATOM 789 OD2 ASP A 50 -1.363 -23.300 -35.978 1.00 31.00 O ATOM 0 H ASP A 50 -4.105 -19.048 -35.421 1.00 35.00 H new ATOM 0 HA ASP A 50 -1.703 -20.244 -36.702 1.00 74.00 H new ATOM 0 HB2 ASP A 50 -2.114 -21.344 -34.571 1.00 75.00 H new ATOM 0 HB3 ASP A 50 -3.812 -21.542 -34.956 1.00 75.00 H new ATOM 794 N GLY A 51 -4.853 -20.919 -37.250 1.00 45.00 N ATOM 795 CA GLY A 51 -5.890 -21.019 -38.238 1.00 40.00 C ATOM 796 C GLY A 51 -7.214 -21.303 -37.583 1.00 55.00 C ATOM 797 O GLY A 51 -8.158 -21.735 -38.225 1.00 0.00 O ATOM 0 H GLY A 51 -5.134 -21.219 -36.317 1.00 45.00 H new ATOM 0 HA2 GLY A 51 -5.950 -20.091 -38.806 1.00 40.00 H new ATOM 0 HA3 GLY A 51 -5.650 -21.812 -38.947 1.00 40.00 H new ATOM 801 N ILE A 52 -7.293 -21.038 -36.285 1.00 53.00 N ATOM 802 CA ILE A 52 -8.493 -21.342 -35.533 1.00 70.00 C ATOM 803 C ILE A 52 -9.177 -20.031 -35.140 1.00 74.00 C ATOM 804 O ILE A 52 -10.288 -19.777 -35.533 1.00 25.00 O ATOM 805 CB ILE A 52 -8.179 -22.212 -34.277 1.00 31.00 C ATOM 806 CG1 ILE A 52 -7.286 -23.404 -34.680 1.00 31.00 C ATOM 807 CG2 ILE A 52 -9.488 -22.745 -33.698 1.00 33.00 C ATOM 808 CD1 ILE A 52 -6.815 -24.254 -33.518 1.00 40.00 C ATOM 0 H ILE A 52 -6.543 -20.616 -35.738 1.00 53.00 H new ATOM 0 HA ILE A 52 -9.165 -21.929 -36.159 1.00 70.00 H new ATOM 0 HB ILE A 52 -7.661 -21.604 -33.535 1.00 31.00 H new ATOM 0 HG12 ILE A 52 -7.837 -24.036 -35.377 1.00 31.00 H new ATOM 0 HG13 ILE A 52 -6.415 -23.025 -35.214 1.00 31.00 H new ATOM 0 HG21 ILE A 52 -9.276 -23.354 -32.819 1.00 33.00 H new ATOM 0 HG22 ILE A 52 -10.127 -21.909 -33.414 1.00 33.00 H new ATOM 0 HG23 ILE A 52 -9.996 -23.353 -34.447 1.00 33.00 H new ATOM 0 HD11 ILE A 52 -6.194 -25.068 -33.891 1.00 40.00 H new ATOM 0 HD12 ILE A 52 -6.234 -23.640 -32.830 1.00 40.00 H new ATOM 0 HD13 ILE A 52 -7.678 -24.666 -32.995 1.00 40.00 H new ATOM 820 N TYR A 53 -8.482 -19.212 -34.369 1.00 13.00 N ATOM 821 CA TYR A 53 -8.923 -17.869 -34.009 1.00 62.00 C ATOM 822 C TYR A 53 -7.734 -16.987 -34.109 1.00 1.00 C ATOM 823 O TYR A 53 -6.588 -17.478 -34.172 1.00 30.00 O ATOM 824 CB TYR A 53 -9.482 -17.786 -32.581 1.00 3.00 C ATOM 825 CG TYR A 53 -10.660 -18.713 -32.342 1.00 12.00 C ATOM 826 CD1 TYR A 53 -11.948 -18.363 -32.719 1.00 33.00 C ATOM 827 CD2 TYR A 53 -10.466 -19.961 -31.790 1.00 33.00 C ATOM 828 CE1 TYR A 53 -13.001 -19.243 -32.554 1.00 44.00 C ATOM 829 CE2 TYR A 53 -11.510 -20.838 -31.611 1.00 23.00 C ATOM 830 CZ TYR A 53 -12.774 -20.478 -31.999 1.00 61.00 C ATOM 831 OH TYR A 53 -13.815 -21.372 -31.858 1.00 61.00 O ATOM 0 H TYR A 53 -7.579 -19.463 -33.967 1.00 13.00 H new ATOM 0 HA TYR A 53 -9.729 -17.572 -34.680 1.00 62.00 H new ATOM 0 HB2 TYR A 53 -8.689 -18.028 -31.873 1.00 3.00 H new ATOM 0 HB3 TYR A 53 -9.789 -16.760 -32.378 1.00 3.00 H new ATOM 0 HD1 TYR A 53 -12.131 -17.389 -33.148 1.00 33.00 H new ATOM 0 HD2 TYR A 53 -9.471 -20.257 -31.491 1.00 33.00 H new ATOM 0 HE1 TYR A 53 -13.997 -18.960 -32.860 1.00 44.00 H new ATOM 0 HE2 TYR A 53 -11.334 -21.806 -31.166 1.00 23.00 H new ATOM 0 HH TYR A 53 -13.920 -21.606 -30.912 1.00 61.00 H new ATOM 841 N VAL A 54 -7.975 -15.736 -34.133 1.00 64.00 N ATOM 842 CA VAL A 54 -6.958 -14.750 -34.265 1.00 4.00 C ATOM 843 C VAL A 54 -6.776 -14.070 -32.927 1.00 10.00 C ATOM 844 O VAL A 54 -7.648 -13.324 -32.497 1.00 34.00 O ATOM 845 CB VAL A 54 -7.413 -13.712 -35.292 1.00 63.00 C ATOM 846 CG1 VAL A 54 -6.427 -12.550 -35.412 1.00 1.00 C ATOM 847 CG2 VAL A 54 -7.660 -14.349 -36.659 1.00 63.00 C ATOM 0 H VAL A 54 -8.915 -15.347 -34.059 1.00 64.00 H new ATOM 0 HA VAL A 54 -6.022 -15.207 -34.586 1.00 4.00 H new ATOM 0 HB VAL A 54 -8.357 -13.307 -34.928 1.00 63.00 H new ATOM 0 HG11 VAL A 54 -6.792 -11.838 -36.153 1.00 1.00 H new ATOM 0 HG12 VAL A 54 -6.332 -12.053 -34.447 1.00 1.00 H new ATOM 0 HG13 VAL A 54 -5.453 -12.929 -35.722 1.00 1.00 H new ATOM 0 HG21 VAL A 54 -7.982 -13.583 -37.364 1.00 63.00 H new ATOM 0 HG22 VAL A 54 -6.739 -14.809 -37.018 1.00 63.00 H new ATOM 0 HG23 VAL A 54 -8.435 -15.110 -36.571 1.00 63.00 H new ATOM 857 N PHE A 55 -5.692 -14.339 -32.261 1.00 55.00 N ATOM 858 CA PHE A 55 -5.454 -13.734 -30.975 1.00 13.00 C ATOM 859 C PHE A 55 -4.627 -12.476 -31.172 1.00 52.00 C ATOM 860 O PHE A 55 -3.443 -12.541 -31.524 1.00 30.00 O ATOM 861 CB PHE A 55 -4.758 -14.725 -30.012 1.00 41.00 C ATOM 862 CG PHE A 55 -4.547 -14.201 -28.609 1.00 74.00 C ATOM 863 CD1 PHE A 55 -5.529 -14.359 -27.647 1.00 43.00 C ATOM 864 CD2 PHE A 55 -3.371 -13.555 -28.257 1.00 61.00 C ATOM 865 CE1 PHE A 55 -5.346 -13.884 -26.366 1.00 41.00 C ATOM 866 CE2 PHE A 55 -3.182 -13.078 -26.975 1.00 71.00 C ATOM 867 CZ PHE A 55 -4.170 -13.242 -26.030 1.00 1.00 C ATOM 0 H PHE A 55 -4.958 -14.971 -32.582 1.00 55.00 H new ATOM 0 HA PHE A 55 -6.406 -13.468 -30.516 1.00 13.00 H new ATOM 0 HB2 PHE A 55 -5.353 -15.637 -29.959 1.00 41.00 H new ATOM 0 HB3 PHE A 55 -3.790 -14.999 -30.432 1.00 41.00 H new ATOM 0 HD1 PHE A 55 -6.450 -14.861 -27.903 1.00 43.00 H new ATOM 0 HD2 PHE A 55 -2.593 -13.423 -28.995 1.00 61.00 H new ATOM 0 HE1 PHE A 55 -6.121 -14.014 -25.626 1.00 41.00 H new ATOM 0 HE2 PHE A 55 -2.261 -12.577 -26.714 1.00 71.00 H new ATOM 0 HZ PHE A 55 -4.026 -12.869 -25.027 1.00 1.00 H new ATOM 877 N TRP A 56 -5.247 -11.351 -30.987 1.00 21.00 N ATOM 878 CA TRP A 56 -4.608 -10.118 -31.137 1.00 44.00 C ATOM 879 C TRP A 56 -4.354 -9.526 -29.796 1.00 2.00 C ATOM 880 O TRP A 56 -5.267 -9.275 -29.003 1.00 13.00 O ATOM 881 CB TRP A 56 -5.398 -9.178 -32.052 1.00 54.00 C ATOM 882 CG TRP A 56 -4.985 -7.740 -31.960 1.00 14.00 C ATOM 883 CD1 TRP A 56 -3.732 -7.225 -32.111 1.00 72.00 C ATOM 884 CD2 TRP A 56 -5.844 -6.630 -31.706 1.00 34.00 C ATOM 885 NE1 TRP A 56 -3.759 -5.877 -31.912 1.00 13.00 N ATOM 886 CE2 TRP A 56 -5.043 -5.481 -31.686 1.00 60.00 C ATOM 887 CE3 TRP A 56 -7.215 -6.502 -31.489 1.00 70.00 C ATOM 888 CZ2 TRP A 56 -5.566 -4.213 -31.455 1.00 64.00 C ATOM 889 CZ3 TRP A 56 -7.735 -5.245 -31.267 1.00 44.00 C ATOM 890 CH2 TRP A 56 -6.911 -4.117 -31.250 1.00 73.00 C ATOM 0 H TRP A 56 -6.230 -11.283 -30.723 1.00 21.00 H new ATOM 0 HA TRP A 56 -3.648 -10.272 -31.629 1.00 44.00 H new ATOM 0 HB2 TRP A 56 -5.283 -9.512 -33.083 1.00 54.00 H new ATOM 0 HB3 TRP A 56 -6.457 -9.256 -31.807 1.00 54.00 H new ATOM 0 HD1 TRP A 56 -2.850 -7.799 -32.352 1.00 72.00 H new ATOM 0 HE1 TRP A 56 -2.946 -5.261 -31.929 1.00 13.00 H new ATOM 0 HE3 TRP A 56 -7.857 -7.370 -31.495 1.00 70.00 H new ATOM 0 HZ2 TRP A 56 -4.932 -3.339 -31.439 1.00 64.00 H new ATOM 0 HZ3 TRP A 56 -8.796 -5.130 -31.104 1.00 44.00 H new ATOM 0 HH2 TRP A 56 -7.349 -3.146 -31.070 1.00 73.00 H new ATOM 901 N SER A 57 -3.137 -9.345 -29.554 1.00 34.00 N ATOM 902 CA SER A 57 -2.660 -8.779 -28.357 1.00 23.00 C ATOM 903 C SER A 57 -2.150 -7.404 -28.702 1.00 71.00 C ATOM 904 O SER A 57 -1.298 -7.258 -29.573 1.00 72.00 O ATOM 905 CB SER A 57 -1.536 -9.655 -27.787 1.00 70.00 C ATOM 906 OG SER A 57 -1.053 -9.154 -26.550 1.00 40.00 O ATOM 0 H SER A 57 -2.397 -9.595 -30.210 1.00 34.00 H new ATOM 0 HA SER A 57 -3.442 -8.715 -27.600 1.00 23.00 H new ATOM 0 HB2 SER A 57 -1.903 -10.672 -27.649 1.00 70.00 H new ATOM 0 HB3 SER A 57 -0.716 -9.706 -28.503 1.00 70.00 H new ATOM 0 HG SER A 57 -0.340 -9.738 -26.217 1.00 40.00 H new ATOM 912 N LYS A 58 -2.714 -6.396 -28.104 1.00 24.00 N ATOM 913 CA LYS A 58 -2.264 -5.066 -28.356 1.00 43.00 C ATOM 914 C LYS A 58 -1.189 -4.685 -27.335 1.00 42.00 C ATOM 915 O LYS A 58 -0.347 -3.813 -27.583 1.00 44.00 O ATOM 916 CB LYS A 58 -3.458 -4.144 -28.304 1.00 3.00 C ATOM 917 CG LYS A 58 -3.180 -2.684 -28.530 1.00 43.00 C ATOM 918 CD LYS A 58 -4.478 -1.950 -28.515 1.00 34.00 C ATOM 919 CE LYS A 58 -4.304 -0.453 -28.465 1.00 55.00 C ATOM 920 NZ LYS A 58 -5.605 0.225 -28.285 1.00 41.00 N ATOM 0 H LYS A 58 -3.485 -6.473 -27.440 1.00 24.00 H new ATOM 0 HA LYS A 58 -1.809 -4.984 -29.343 1.00 43.00 H new ATOM 0 HB2 LYS A 58 -4.179 -4.475 -29.051 1.00 3.00 H new ATOM 0 HB3 LYS A 58 -3.934 -4.255 -27.330 1.00 3.00 H new ATOM 0 HG2 LYS A 58 -2.518 -2.299 -27.754 1.00 43.00 H new ATOM 0 HG3 LYS A 58 -2.673 -2.538 -29.484 1.00 43.00 H new ATOM 0 HD2 LYS A 58 -5.050 -2.215 -29.404 1.00 34.00 H new ATOM 0 HD3 LYS A 58 -5.062 -2.272 -27.653 1.00 34.00 H new ATOM 0 HE2 LYS A 58 -3.635 -0.188 -27.646 1.00 55.00 H new ATOM 0 HE3 LYS A 58 -3.834 -0.107 -29.385 1.00 55.00 H new ATOM 0 HZ1 LYS A 58 -5.445 1.213 -28.001 1.00 41.00 H new ATOM 0 HZ2 LYS A 58 -6.135 0.203 -29.180 1.00 41.00 H new ATOM 0 HZ3 LYS A 58 -6.152 -0.263 -27.547 1.00 41.00 H new ATOM 934 N GLY A 59 -1.200 -5.369 -26.207 1.00 4.00 N ATOM 935 CA GLY A 59 -0.222 -5.114 -25.173 1.00 20.00 C ATOM 936 C GLY A 59 -0.846 -5.088 -23.803 1.00 42.00 C ATOM 937 O GLY A 59 -0.437 -5.825 -22.902 1.00 64.00 O ATOM 0 H GLY A 59 -1.874 -6.102 -25.986 1.00 4.00 H new ATOM 0 HA2 GLY A 59 0.550 -5.883 -25.206 1.00 20.00 H new ATOM 0 HA3 GLY A 59 0.270 -4.161 -25.366 1.00 20.00 H new ATOM 941 N ASP A 60 -1.826 -4.234 -23.632 1.00 44.00 N ATOM 942 CA ASP A 60 -2.536 -4.142 -22.352 1.00 5.00 C ATOM 943 C ASP A 60 -3.966 -4.569 -22.506 1.00 54.00 C ATOM 944 O ASP A 60 -4.720 -4.631 -21.546 1.00 3.00 O ATOM 945 CB ASP A 60 -2.445 -2.740 -21.738 1.00 23.00 C ATOM 946 CG ASP A 60 -1.044 -2.391 -21.306 1.00 71.00 C ATOM 947 OD1 ASP A 60 -0.642 -2.770 -20.185 1.00 70.00 O ATOM 948 OD2 ASP A 60 -0.313 -1.744 -22.078 1.00 62.00 O ATOM 0 H ASP A 60 -2.158 -3.591 -24.350 1.00 44.00 H new ATOM 0 HA ASP A 60 -2.043 -4.825 -21.660 1.00 5.00 H new ATOM 0 HB2 ASP A 60 -2.792 -2.005 -22.464 1.00 23.00 H new ATOM 0 HB3 ASP A 60 -3.113 -2.679 -20.879 1.00 23.00 H new ATOM 953 N GLU A 61 -4.320 -4.881 -23.716 1.00 11.00 N ATOM 954 CA GLU A 61 -5.616 -5.353 -24.061 1.00 31.00 C ATOM 955 C GLU A 61 -5.446 -6.408 -25.113 1.00 3.00 C ATOM 956 O GLU A 61 -4.407 -6.427 -25.816 1.00 2.00 O ATOM 957 CB GLU A 61 -6.509 -4.218 -24.541 1.00 3.00 C ATOM 958 CG GLU A 61 -5.976 -3.456 -25.714 1.00 43.00 C ATOM 959 CD GLU A 61 -6.910 -2.366 -26.165 1.00 22.00 C ATOM 960 OE1 GLU A 61 -8.019 -2.676 -26.601 1.00 12.00 O ATOM 961 OE2 GLU A 61 -6.542 -1.181 -26.121 1.00 25.00 O ATOM 0 H GLU A 61 -3.689 -4.810 -24.514 1.00 11.00 H new ATOM 0 HA GLU A 61 -6.111 -5.776 -23.187 1.00 31.00 H new ATOM 0 HB2 GLU A 61 -7.484 -4.628 -24.804 1.00 3.00 H new ATOM 0 HB3 GLU A 61 -6.667 -3.524 -23.715 1.00 3.00 H new ATOM 0 HG2 GLU A 61 -5.012 -3.019 -25.452 1.00 43.00 H new ATOM 0 HG3 GLU A 61 -5.800 -4.144 -26.541 1.00 43.00 H new ATOM 968 N ALA A 62 -6.401 -7.269 -25.217 1.00 45.00 N ATOM 969 CA ALA A 62 -6.339 -8.381 -26.086 1.00 62.00 C ATOM 970 C ALA A 62 -7.721 -8.691 -26.576 1.00 4.00 C ATOM 971 O ALA A 62 -8.684 -8.623 -25.810 1.00 63.00 O ATOM 972 CB ALA A 62 -5.792 -9.581 -25.337 1.00 34.00 C ATOM 0 H ALA A 62 -7.268 -7.212 -24.682 1.00 45.00 H new ATOM 0 HA ALA A 62 -5.686 -8.154 -26.929 1.00 62.00 H new ATOM 0 HB1 ALA A 62 -5.745 -10.438 -26.008 1.00 34.00 H new ATOM 0 HB2 ALA A 62 -4.792 -9.354 -24.967 1.00 34.00 H new ATOM 0 HB3 ALA A 62 -6.446 -9.814 -24.496 1.00 34.00 H new ATOM 978 N THR A 63 -7.818 -8.996 -27.813 1.00 64.00 N ATOM 979 CA THR A 63 -9.049 -9.383 -28.423 1.00 24.00 C ATOM 980 C THR A 63 -8.773 -10.529 -29.379 1.00 50.00 C ATOM 981 O THR A 63 -7.911 -10.438 -30.254 1.00 42.00 O ATOM 982 CB THR A 63 -9.732 -8.194 -29.156 1.00 53.00 C ATOM 983 OG1 THR A 63 -10.086 -7.179 -28.200 1.00 14.00 O ATOM 984 CG2 THR A 63 -10.985 -8.636 -29.909 1.00 44.00 C ATOM 0 H THR A 63 -7.026 -8.986 -28.456 1.00 64.00 H new ATOM 0 HA THR A 63 -9.745 -9.706 -27.648 1.00 24.00 H new ATOM 0 HB THR A 63 -9.022 -7.800 -29.883 1.00 53.00 H new ATOM 0 HG1 THR A 63 -10.515 -6.429 -28.663 1.00 14.00 H new ATOM 0 HG21 THR A 63 -11.432 -7.776 -30.407 1.00 44.00 H new ATOM 0 HG22 THR A 63 -10.717 -9.387 -30.652 1.00 44.00 H new ATOM 0 HG23 THR A 63 -11.701 -9.061 -29.206 1.00 44.00 H new ATOM 992 N VAL A 64 -9.462 -11.605 -29.184 1.00 3.00 N ATOM 993 CA VAL A 64 -9.288 -12.765 -29.995 1.00 54.00 C ATOM 994 C VAL A 64 -10.503 -12.936 -30.886 1.00 54.00 C ATOM 995 O VAL A 64 -11.592 -13.366 -30.455 1.00 41.00 O ATOM 996 CB VAL A 64 -8.930 -14.017 -29.148 1.00 42.00 C ATOM 997 CG1 VAL A 64 -9.849 -14.165 -27.970 1.00 62.00 C ATOM 998 CG2 VAL A 64 -8.899 -15.287 -29.990 1.00 72.00 C ATOM 0 H VAL A 64 -10.166 -11.705 -28.453 1.00 3.00 H new ATOM 0 HA VAL A 64 -8.426 -12.634 -30.650 1.00 54.00 H new ATOM 0 HB VAL A 64 -7.922 -13.863 -28.764 1.00 42.00 H new ATOM 0 HG11 VAL A 64 -9.570 -15.051 -27.400 1.00 62.00 H new ATOM 0 HG12 VAL A 64 -9.769 -13.284 -27.333 1.00 62.00 H new ATOM 0 HG13 VAL A 64 -10.876 -14.268 -28.320 1.00 62.00 H new ATOM 0 HG21 VAL A 64 -8.645 -16.137 -29.357 1.00 72.00 H new ATOM 0 HG22 VAL A 64 -9.879 -15.450 -30.439 1.00 72.00 H new ATOM 0 HG23 VAL A 64 -8.152 -15.184 -30.777 1.00 72.00 H new ATOM 1008 N TYR A 65 -10.311 -12.559 -32.112 1.00 1.00 N ATOM 1009 CA TYR A 65 -11.365 -12.426 -33.059 1.00 70.00 C ATOM 1010 C TYR A 65 -11.065 -13.107 -34.365 1.00 72.00 C ATOM 1011 O TYR A 65 -10.275 -12.623 -35.178 1.00 55.00 O ATOM 1012 CB TYR A 65 -11.654 -10.913 -33.232 1.00 22.00 C ATOM 1013 CG TYR A 65 -12.375 -10.437 -34.500 1.00 50.00 C ATOM 1014 CD1 TYR A 65 -13.635 -10.881 -34.843 1.00 65.00 C ATOM 1015 CD2 TYR A 65 -11.763 -9.523 -35.344 1.00 15.00 C ATOM 1016 CE1 TYR A 65 -14.266 -10.436 -35.983 1.00 33.00 C ATOM 1017 CE2 TYR A 65 -12.388 -9.072 -36.486 1.00 72.00 C ATOM 1018 CZ TYR A 65 -13.640 -9.531 -36.798 1.00 44.00 C ATOM 1019 OH TYR A 65 -14.260 -9.094 -37.939 1.00 71.00 O ATOM 0 H TYR A 65 -9.391 -12.330 -32.488 1.00 1.00 H new ATOM 0 HA TYR A 65 -12.255 -12.933 -32.687 1.00 70.00 H new ATOM 0 HB2 TYR A 65 -12.246 -10.590 -32.375 1.00 22.00 H new ATOM 0 HB3 TYR A 65 -10.701 -10.387 -33.177 1.00 22.00 H new ATOM 0 HD1 TYR A 65 -14.137 -11.592 -34.204 1.00 65.00 H new ATOM 0 HD2 TYR A 65 -10.776 -9.157 -35.101 1.00 15.00 H new ATOM 0 HE1 TYR A 65 -15.252 -10.800 -36.234 1.00 33.00 H new ATOM 0 HE2 TYR A 65 -11.894 -8.361 -37.131 1.00 72.00 H new ATOM 0 HH TYR A 65 -13.680 -8.454 -38.402 1.00 71.00 H new ATOM 1029 N LYS A 66 -11.690 -14.238 -34.561 1.00 53.00 N ATOM 1030 CA LYS A 66 -11.682 -14.871 -35.801 1.00 22.00 C ATOM 1031 C LYS A 66 -12.772 -14.171 -36.531 1.00 51.00 C ATOM 1032 O LYS A 66 -13.675 -13.641 -35.908 1.00 74.00 O ATOM 1033 CB LYS A 66 -12.062 -16.340 -35.663 1.00 11.00 C ATOM 1034 CG LYS A 66 -11.997 -17.121 -36.960 1.00 4.00 C ATOM 1035 CD LYS A 66 -12.629 -18.463 -36.818 1.00 72.00 C ATOM 1036 CE LYS A 66 -12.518 -19.267 -38.098 1.00 51.00 C ATOM 1037 NZ LYS A 66 -13.056 -20.633 -37.950 1.00 34.00 N ATOM 0 H LYS A 66 -12.217 -14.730 -33.840 1.00 53.00 H new ATOM 0 HA LYS A 66 -10.706 -14.833 -36.285 1.00 22.00 H new ATOM 0 HB2 LYS A 66 -11.399 -16.809 -34.936 1.00 11.00 H new ATOM 0 HB3 LYS A 66 -13.073 -16.406 -35.262 1.00 11.00 H new ATOM 0 HG2 LYS A 66 -12.500 -16.562 -37.749 1.00 4.00 H new ATOM 0 HG3 LYS A 66 -10.957 -17.237 -37.265 1.00 4.00 H new ATOM 0 HD2 LYS A 66 -12.152 -19.007 -36.003 1.00 72.00 H new ATOM 0 HD3 LYS A 66 -13.679 -18.345 -36.551 1.00 72.00 H new ATOM 0 HE2 LYS A 66 -13.054 -18.752 -38.895 1.00 51.00 H new ATOM 0 HE3 LYS A 66 -11.472 -19.322 -38.401 1.00 51.00 H new ATOM 0 HZ1 LYS A 66 -12.958 -21.144 -38.850 1.00 34.00 H new ATOM 0 HZ2 LYS A 66 -12.528 -21.135 -37.208 1.00 34.00 H new ATOM 0 HZ3 LYS A 66 -14.061 -20.584 -37.687 1.00 34.00 H new ATOM 1051 N ARG A 67 -12.766 -14.248 -37.780 1.00 62.00 N ATOM 1052 CA ARG A 67 -13.736 -13.503 -38.584 1.00 41.00 C ATOM 1053 C ARG A 67 -15.116 -14.158 -38.497 1.00 63.00 C ATOM 1054 O ARG A 67 -16.118 -13.617 -38.955 1.00 22.00 O ATOM 1055 CB ARG A 67 -13.281 -13.355 -40.036 1.00 22.00 C ATOM 1056 CG ARG A 67 -11.902 -12.715 -40.224 1.00 3.00 C ATOM 1057 CD ARG A 67 -11.761 -11.403 -39.468 1.00 74.00 C ATOM 1058 NE ARG A 67 -10.470 -10.747 -39.751 1.00 44.00 N ATOM 1059 CZ ARG A 67 -9.536 -10.406 -38.843 1.00 70.00 C ATOM 1060 NH1 ARG A 67 -9.637 -10.804 -37.571 1.00 52.00 N ATOM 1061 NH2 ARG A 67 -8.473 -9.710 -39.218 1.00 54.00 N ATOM 0 H ARG A 67 -12.110 -14.814 -38.318 1.00 62.00 H new ATOM 0 HA ARG A 67 -13.806 -12.496 -38.172 1.00 41.00 H new ATOM 0 HB2 ARG A 67 -13.273 -14.341 -40.500 1.00 22.00 H new ATOM 0 HB3 ARG A 67 -14.018 -12.757 -40.572 1.00 22.00 H new ATOM 0 HG2 ARG A 67 -11.133 -13.410 -39.886 1.00 3.00 H new ATOM 0 HG3 ARG A 67 -11.728 -12.539 -41.286 1.00 3.00 H new ATOM 0 HD2 ARG A 67 -12.577 -10.735 -39.743 1.00 74.00 H new ATOM 0 HD3 ARG A 67 -11.848 -11.588 -38.397 1.00 74.00 H new ATOM 0 HE ARG A 67 -10.266 -10.531 -40.727 1.00 44.00 H new ATOM 0 HH11 ARG A 67 -10.430 -11.374 -37.276 1.00 52.00 H new ATOM 0 HH12 ARG A 67 -8.921 -10.538 -36.895 1.00 52.00 H new ATOM 0 HH21 ARG A 67 -8.363 -9.433 -40.193 1.00 54.00 H new ATOM 0 HH22 ARG A 67 -7.765 -9.451 -38.531 1.00 54.00 H new ATOM 1075 N ASP A 68 -15.141 -15.311 -37.869 1.00 43.00 N ATOM 1076 CA ASP A 68 -16.353 -16.072 -37.632 1.00 24.00 C ATOM 1077 C ASP A 68 -16.730 -16.032 -36.169 1.00 42.00 C ATOM 1078 O ASP A 68 -17.899 -16.184 -35.814 1.00 65.00 O ATOM 1079 CB ASP A 68 -16.175 -17.531 -38.090 1.00 62.00 C ATOM 1080 CG ASP A 68 -17.309 -18.450 -37.659 1.00 73.00 C ATOM 1081 OD1 ASP A 68 -18.364 -18.483 -38.329 1.00 12.00 O ATOM 1082 OD2 ASP A 68 -17.162 -19.158 -36.638 1.00 34.00 O ATOM 0 H ASP A 68 -14.302 -15.759 -37.499 1.00 43.00 H new ATOM 0 HA ASP A 68 -17.156 -15.618 -38.212 1.00 24.00 H new ATOM 0 HB2 ASP A 68 -16.094 -17.554 -39.177 1.00 62.00 H new ATOM 0 HB3 ASP A 68 -15.236 -17.916 -37.692 1.00 62.00 H new ATOM 1087 N ARG A 69 -15.770 -15.748 -35.324 1.00 70.00 N ATOM 1088 CA ARG A 69 -16.013 -15.841 -33.912 1.00 51.00 C ATOM 1089 C ARG A 69 -14.954 -15.156 -33.047 1.00 32.00 C ATOM 1090 O ARG A 69 -13.774 -15.515 -33.061 1.00 71.00 O ATOM 1091 CB ARG A 69 -16.183 -17.311 -33.468 1.00 11.00 C ATOM 1092 CG ARG A 69 -16.416 -17.480 -31.968 1.00 65.00 C ATOM 1093 CD ARG A 69 -17.742 -16.879 -31.524 1.00 42.00 C ATOM 1094 NE ARG A 69 -17.838 -16.781 -30.063 1.00 4.00 N ATOM 1095 CZ ARG A 69 -18.766 -17.365 -29.301 1.00 72.00 C ATOM 1096 NH1 ARG A 69 -19.584 -18.281 -29.818 1.00 14.00 N ATOM 1097 NH2 ARG A 69 -18.843 -17.058 -28.002 1.00 31.00 N ATOM 0 H ARG A 69 -14.829 -15.455 -35.586 1.00 70.00 H new ATOM 0 HA ARG A 69 -16.944 -15.298 -33.750 1.00 51.00 H new ATOM 0 HB2 ARG A 69 -17.022 -17.749 -34.008 1.00 11.00 H new ATOM 0 HB3 ARG A 69 -15.293 -17.872 -33.753 1.00 11.00 H new ATOM 0 HG2 ARG A 69 -16.396 -18.540 -31.716 1.00 65.00 H new ATOM 0 HG3 ARG A 69 -15.602 -17.006 -31.419 1.00 65.00 H new ATOM 0 HD2 ARG A 69 -17.856 -15.888 -31.962 1.00 42.00 H new ATOM 0 HD3 ARG A 69 -18.562 -17.490 -31.901 1.00 42.00 H new ATOM 0 HE ARG A 69 -17.134 -16.217 -29.588 1.00 4.00 H new ATOM 0 HH11 ARG A 69 -19.503 -18.540 -30.801 1.00 14.00 H new ATOM 0 HH12 ARG A 69 -20.291 -18.723 -29.230 1.00 14.00 H new ATOM 0 HH21 ARG A 69 -18.195 -16.381 -27.599 1.00 31.00 H new ATOM 0 HH22 ARG A 69 -19.550 -17.501 -27.414 1.00 31.00 H new ATOM 1111 N ILE A 70 -15.392 -14.152 -32.362 1.00 64.00 N ATOM 1112 CA ILE A 70 -14.669 -13.547 -31.262 1.00 32.00 C ATOM 1113 C ILE A 70 -14.957 -14.396 -30.070 1.00 4.00 C ATOM 1114 O ILE A 70 -16.112 -14.723 -29.806 1.00 22.00 O ATOM 1115 CB ILE A 70 -15.233 -12.169 -30.895 1.00 74.00 C ATOM 1116 CG1 ILE A 70 -15.325 -11.262 -32.084 1.00 11.00 C ATOM 1117 CG2 ILE A 70 -14.403 -11.518 -29.795 1.00 34.00 C ATOM 1118 CD1 ILE A 70 -16.013 -9.942 -31.814 1.00 75.00 C ATOM 0 H ILE A 70 -16.290 -13.706 -32.548 1.00 64.00 H new ATOM 0 HA ILE A 70 -13.618 -13.460 -31.539 1.00 32.00 H new ATOM 0 HB ILE A 70 -16.246 -12.328 -30.525 1.00 74.00 H new ATOM 0 HG12 ILE A 70 -14.319 -11.064 -32.453 1.00 11.00 H new ATOM 0 HG13 ILE A 70 -15.860 -11.780 -32.880 1.00 11.00 H new ATOM 0 HG21 ILE A 70 -14.823 -10.542 -29.552 1.00 34.00 H new ATOM 0 HG22 ILE A 70 -14.416 -12.150 -28.907 1.00 34.00 H new ATOM 0 HG23 ILE A 70 -13.376 -11.396 -30.138 1.00 34.00 H new ATOM 0 HD11 ILE A 70 -16.035 -9.349 -32.729 1.00 75.00 H new ATOM 0 HD12 ILE A 70 -17.033 -10.126 -31.476 1.00 75.00 H new ATOM 0 HD13 ILE A 70 -15.468 -9.399 -31.043 1.00 75.00 H new ATOM 1130 N VAL A 71 -13.976 -14.746 -29.361 1.00 33.00 N ATOM 1131 CA VAL A 71 -14.218 -15.534 -28.167 1.00 3.00 C ATOM 1132 C VAL A 71 -13.973 -14.722 -26.910 1.00 13.00 C ATOM 1133 O VAL A 71 -14.468 -15.053 -25.847 1.00 11.00 O ATOM 1134 CB VAL A 71 -13.492 -16.917 -28.141 1.00 52.00 C ATOM 1135 CG1 VAL A 71 -13.968 -17.782 -29.287 1.00 42.00 C ATOM 1136 CG2 VAL A 71 -11.995 -16.780 -28.196 1.00 24.00 C ATOM 0 H VAL A 71 -13.000 -14.521 -29.552 1.00 33.00 H new ATOM 0 HA VAL A 71 -15.277 -15.792 -28.197 1.00 3.00 H new ATOM 0 HB VAL A 71 -13.744 -17.390 -27.192 1.00 52.00 H new ATOM 0 HG11 VAL A 71 -13.453 -18.742 -29.256 1.00 42.00 H new ATOM 0 HG12 VAL A 71 -15.042 -17.943 -29.199 1.00 42.00 H new ATOM 0 HG13 VAL A 71 -13.752 -17.285 -30.233 1.00 42.00 H new ATOM 0 HG21 VAL A 71 -11.538 -17.769 -28.175 1.00 24.00 H new ATOM 0 HG22 VAL A 71 -11.710 -16.268 -29.115 1.00 24.00 H new ATOM 0 HG23 VAL A 71 -11.651 -16.203 -27.338 1.00 24.00 H new ATOM 1146 N LEU A 72 -13.288 -13.611 -27.079 1.00 4.00 N ATOM 1147 CA LEU A 72 -12.960 -12.692 -25.988 1.00 61.00 C ATOM 1148 C LEU A 72 -12.663 -11.326 -26.565 1.00 11.00 C ATOM 1149 O LEU A 72 -11.831 -11.218 -27.490 1.00 23.00 O ATOM 1150 CB LEU A 72 -11.732 -13.160 -25.187 1.00 23.00 C ATOM 1151 CG LEU A 72 -11.990 -14.069 -24.002 1.00 72.00 C ATOM 1152 CD1 LEU A 72 -10.678 -14.509 -23.387 1.00 21.00 C ATOM 1153 CD2 LEU A 72 -12.823 -13.336 -22.970 1.00 23.00 C ATOM 0 H LEU A 72 -12.935 -13.309 -27.987 1.00 4.00 H new ATOM 0 HA LEU A 72 -13.816 -12.660 -25.314 1.00 61.00 H new ATOM 0 HB2 LEU A 72 -11.059 -13.677 -25.870 1.00 23.00 H new ATOM 0 HB3 LEU A 72 -11.205 -12.276 -24.828 1.00 23.00 H new ATOM 0 HG LEU A 72 -12.532 -14.952 -24.342 1.00 72.00 H new ATOM 0 HD11 LEU A 72 -10.876 -15.162 -22.537 1.00 21.00 H new ATOM 0 HD12 LEU A 72 -10.091 -15.049 -24.130 1.00 21.00 H new ATOM 0 HD13 LEU A 72 -10.122 -13.634 -23.051 1.00 21.00 H new ATOM 0 HD21 LEU A 72 -13.007 -13.992 -22.119 1.00 23.00 H new ATOM 0 HD22 LEU A 72 -12.288 -12.448 -22.635 1.00 23.00 H new ATOM 0 HD23 LEU A 72 -13.774 -13.041 -23.413 1.00 23.00 H new ATOM 1165 N ASN A 73 -13.328 -10.295 -26.075 1.00 44.00 N ATOM 1166 CA ASN A 73 -13.092 -8.941 -26.597 1.00 65.00 C ATOM 1167 C ASN A 73 -13.003 -7.868 -25.532 1.00 44.00 C ATOM 1168 O ASN A 73 -13.031 -6.669 -25.838 1.00 3.00 O ATOM 1169 CB ASN A 73 -14.068 -8.540 -27.727 1.00 31.00 C ATOM 1170 CG ASN A 73 -15.547 -8.521 -27.342 1.00 35.00 C ATOM 1171 OD1 ASN A 73 -16.003 -9.261 -26.481 1.00 24.00 O ATOM 1172 ND2 ASN A 73 -16.314 -7.697 -28.004 1.00 23.00 N ATOM 0 H ASN A 73 -14.024 -10.355 -25.332 1.00 44.00 H new ATOM 0 HA ASN A 73 -12.098 -9.005 -27.041 1.00 65.00 H new ATOM 0 HB2 ASN A 73 -13.792 -7.549 -28.088 1.00 31.00 H new ATOM 0 HB3 ASN A 73 -13.936 -9.231 -28.560 1.00 31.00 H new ATOM 0 HD21 ASN A 73 -17.314 -7.662 -27.807 1.00 23.00 H new ATOM 0 HD22 ASN A 73 -15.913 -7.089 -28.718 1.00 23.00 H new ATOM 1179 N ASN A 74 -12.821 -8.269 -24.315 1.00 21.00 N ATOM 1180 CA ASN A 74 -12.595 -7.319 -23.236 1.00 74.00 C ATOM 1181 C ASN A 74 -11.609 -7.899 -22.283 1.00 40.00 C ATOM 1182 O ASN A 74 -11.938 -8.378 -21.178 1.00 70.00 O ATOM 1183 CB ASN A 74 -13.848 -6.869 -22.493 1.00 42.00 C ATOM 1184 CG ASN A 74 -13.542 -5.728 -21.520 1.00 33.00 C ATOM 1185 OD1 ASN A 74 -12.662 -4.896 -21.767 1.00 74.00 O ATOM 1186 ND2 ASN A 74 -14.216 -5.693 -20.411 1.00 41.00 N ATOM 0 H ASN A 74 -12.822 -9.248 -24.027 1.00 21.00 H new ATOM 0 HA ASN A 74 -12.213 -6.412 -23.704 1.00 74.00 H new ATOM 0 HB2 ASN A 74 -14.601 -6.545 -23.211 1.00 42.00 H new ATOM 0 HB3 ASN A 74 -14.271 -7.712 -21.946 1.00 42.00 H new ATOM 0 HD21 ASN A 74 -14.024 -4.967 -19.720 1.00 41.00 H new ATOM 0 HD22 ASN A 74 -14.937 -6.391 -20.230 1.00 41.00 H new ATOM 1193 N CYS A 75 -10.420 -7.926 -22.733 1.00 73.00 N ATOM 1194 CA CYS A 75 -9.358 -8.462 -22.017 1.00 15.00 C ATOM 1195 C CYS A 75 -8.358 -7.413 -21.840 1.00 3.00 C ATOM 1196 O CYS A 75 -7.847 -6.876 -22.806 1.00 41.00 O ATOM 1197 CB CYS A 75 -8.807 -9.662 -22.739 1.00 44.00 C ATOM 1198 SG CYS A 75 -9.856 -11.125 -22.552 1.00 22.00 S ATOM 0 H CYS A 75 -10.158 -7.559 -23.648 1.00 73.00 H new ATOM 0 HA CYS A 75 -9.680 -8.807 -21.034 1.00 15.00 H new ATOM 0 HB2 CYS A 75 -8.701 -9.428 -23.798 1.00 44.00 H new ATOM 0 HB3 CYS A 75 -7.809 -9.883 -22.360 1.00 44.00 H new ATOM 1203 N GLN A 76 -8.086 -7.104 -20.618 1.00 51.00 N ATOM 1204 CA GLN A 76 -7.236 -6.037 -20.286 1.00 13.00 C ATOM 1205 C GLN A 76 -6.338 -6.543 -19.261 1.00 51.00 C ATOM 1206 O GLN A 76 -6.761 -7.010 -18.215 1.00 42.00 O ATOM 1207 CB GLN A 76 -8.017 -4.801 -19.858 1.00 11.00 C ATOM 1208 CG GLN A 76 -8.788 -4.180 -21.015 1.00 65.00 C ATOM 1209 CD GLN A 76 -9.582 -2.966 -20.615 1.00 64.00 C ATOM 1210 OE1 GLN A 76 -9.083 -1.840 -20.659 1.00 41.00 O ATOM 1211 NE2 GLN A 76 -10.822 -3.167 -20.267 1.00 21.00 N ATOM 0 H GLN A 76 -8.462 -7.604 -19.812 1.00 51.00 H new ATOM 0 HA GLN A 76 -6.661 -5.696 -21.147 1.00 13.00 H new ATOM 0 HB2 GLN A 76 -8.712 -5.070 -19.063 1.00 11.00 H new ATOM 0 HB3 GLN A 76 -7.329 -4.064 -19.444 1.00 11.00 H new ATOM 0 HG2 GLN A 76 -8.088 -3.904 -21.803 1.00 65.00 H new ATOM 0 HG3 GLN A 76 -9.463 -4.926 -21.435 1.00 65.00 H new ATOM 0 HE21 GLN A 76 -11.198 -4.115 -20.243 1.00 21.00 H new ATOM 0 HE22 GLN A 76 -11.417 -2.376 -20.019 1.00 21.00 H new ATOM 1220 N LEU A 77 -5.126 -6.518 -19.591 1.00 50.00 N ATOM 1221 CA LEU A 77 -4.140 -7.193 -18.859 1.00 62.00 C ATOM 1222 C LEU A 77 -3.572 -6.336 -17.736 1.00 10.00 C ATOM 1223 O LEU A 77 -3.439 -5.121 -17.879 1.00 31.00 O ATOM 1224 CB LEU A 77 -3.046 -7.654 -19.832 1.00 52.00 C ATOM 1225 CG LEU A 77 -1.787 -8.287 -19.248 1.00 14.00 C ATOM 1226 CD1 LEU A 77 -2.118 -9.516 -18.436 1.00 35.00 C ATOM 1227 CD2 LEU A 77 -0.815 -8.627 -20.363 1.00 31.00 C ATOM 0 H LEU A 77 -4.771 -6.013 -20.403 1.00 50.00 H new ATOM 0 HA LEU A 77 -4.585 -8.060 -18.371 1.00 62.00 H new ATOM 0 HB2 LEU A 77 -3.492 -8.372 -20.520 1.00 52.00 H new ATOM 0 HB3 LEU A 77 -2.742 -6.791 -20.425 1.00 52.00 H new ATOM 0 HG LEU A 77 -1.319 -7.566 -18.577 1.00 14.00 H new ATOM 0 HD11 LEU A 77 -1.200 -9.944 -18.033 1.00 35.00 H new ATOM 0 HD12 LEU A 77 -2.781 -9.242 -17.615 1.00 35.00 H new ATOM 0 HD13 LEU A 77 -2.612 -10.250 -19.072 1.00 35.00 H new ATOM 0 HD21 LEU A 77 0.082 -9.079 -19.939 1.00 31.00 H new ATOM 0 HD22 LEU A 77 -1.284 -9.329 -21.053 1.00 31.00 H new ATOM 0 HD23 LEU A 77 -0.544 -7.718 -20.900 1.00 31.00 H new ATOM 1239 N GLN A 78 -3.279 -6.971 -16.609 1.00 3.00 N ATOM 1240 CA GLN A 78 -2.596 -6.288 -15.529 1.00 65.00 C ATOM 1241 C GLN A 78 -1.114 -6.169 -15.898 1.00 30.00 C ATOM 1242 O GLN A 78 -0.573 -5.071 -15.976 1.00 14.00 O ATOM 1243 CB GLN A 78 -2.745 -7.052 -14.199 1.00 2.00 C ATOM 1244 CG GLN A 78 -4.187 -7.323 -13.780 1.00 71.00 C ATOM 1245 CD GLN A 78 -5.035 -6.070 -13.623 1.00 74.00 C ATOM 1246 OE1 GLN A 78 -4.534 -5.003 -13.263 1.00 73.00 O ATOM 1247 NE2 GLN A 78 -6.313 -6.186 -13.896 1.00 20.00 N ATOM 0 H GLN A 78 -3.503 -7.949 -16.424 1.00 3.00 H new ATOM 0 HA GLN A 78 -3.039 -5.301 -15.392 1.00 65.00 H new ATOM 0 HB2 GLN A 78 -2.219 -8.003 -14.281 1.00 2.00 H new ATOM 0 HB3 GLN A 78 -2.252 -6.482 -13.411 1.00 2.00 H new ATOM 0 HG2 GLN A 78 -4.653 -7.973 -14.520 1.00 71.00 H new ATOM 0 HG3 GLN A 78 -4.183 -7.867 -12.835 1.00 71.00 H new ATOM 0 HE21 GLN A 78 -6.692 -7.086 -14.191 1.00 20.00 H new ATOM 0 HE22 GLN A 78 -6.928 -5.376 -13.813 1.00 20.00 H new ATOM 1256 N ASN A 79 -0.497 -7.322 -16.163 1.00 11.00 N ATOM 1257 CA ASN A 79 0.897 -7.470 -16.534 1.00 50.00 C ATOM 1258 C ASN A 79 1.077 -8.967 -16.685 1.00 74.00 C ATOM 1259 O ASN A 79 0.530 -9.716 -15.884 1.00 11.00 O ATOM 1260 CB ASN A 79 1.855 -6.859 -15.457 1.00 61.00 C ATOM 1261 CG ASN A 79 1.731 -7.488 -14.075 1.00 11.00 C ATOM 1262 OD1 ASN A 79 0.869 -7.112 -13.286 1.00 74.00 O ATOM 1263 ND2 ASN A 79 2.629 -8.369 -13.736 1.00 3.00 N ATOM 0 H ASN A 79 -0.986 -8.216 -16.121 1.00 11.00 H new ATOM 0 HA ASN A 79 1.147 -6.933 -17.449 1.00 50.00 H new ATOM 0 HB2 ASN A 79 2.884 -6.966 -15.801 1.00 61.00 H new ATOM 0 HB3 ASN A 79 1.656 -5.790 -15.376 1.00 61.00 H new ATOM 0 HD21 ASN A 79 2.627 -8.764 -12.795 1.00 3.00 H new ATOM 0 HD22 ASN A 79 3.334 -8.664 -14.411 1.00 3.00 H new ATOM 1270 N PRO A 80 1.748 -9.457 -17.732 1.00 71.00 N ATOM 1271 CA PRO A 80 1.779 -10.896 -18.028 1.00 23.00 C ATOM 1272 C PRO A 80 2.619 -11.777 -17.085 1.00 63.00 C ATOM 1273 O PRO A 80 2.817 -12.951 -17.353 1.00 24.00 O ATOM 1274 CB PRO A 80 2.301 -10.968 -19.447 1.00 73.00 C ATOM 1275 CG PRO A 80 3.165 -9.759 -19.567 1.00 61.00 C ATOM 1276 CD PRO A 80 2.476 -8.685 -18.763 1.00 34.00 C ATOM 0 HA PRO A 80 0.780 -11.309 -17.886 1.00 23.00 H new ATOM 0 HB2 PRO A 80 2.867 -11.883 -19.620 1.00 73.00 H new ATOM 0 HB3 PRO A 80 1.489 -10.954 -20.174 1.00 73.00 H new ATOM 0 HG2 PRO A 80 4.167 -9.954 -19.183 1.00 61.00 H new ATOM 0 HG3 PRO A 80 3.275 -9.458 -20.609 1.00 61.00 H new ATOM 0 HD2 PRO A 80 3.191 -7.992 -18.319 1.00 34.00 H new ATOM 0 HD3 PRO A 80 1.798 -8.093 -19.378 1.00 34.00 H new ATOM 1284 N GLN A 81 3.143 -11.231 -16.035 1.00 31.00 N ATOM 1285 CA GLN A 81 3.771 -12.061 -15.049 1.00 22.00 C ATOM 1286 C GLN A 81 2.925 -12.086 -13.811 1.00 5.00 C ATOM 1287 O GLN A 81 3.213 -12.813 -12.861 1.00 0.00 O ATOM 1288 CB GLN A 81 5.185 -11.627 -14.735 1.00 55.00 C ATOM 1289 CG GLN A 81 6.064 -11.608 -15.950 1.00 1.00 C ATOM 1290 CD GLN A 81 7.501 -11.310 -15.626 1.00 41.00 C ATOM 1291 OE1 GLN A 81 8.289 -12.216 -15.377 1.00 0.00 O ATOM 1292 NE2 GLN A 81 7.855 -10.054 -15.623 1.00 23.00 N ATOM 0 H GLN A 81 3.151 -10.231 -15.836 1.00 31.00 H new ATOM 0 HA GLN A 81 3.850 -13.068 -15.459 1.00 22.00 H new ATOM 0 HB2 GLN A 81 5.166 -10.633 -14.289 1.00 55.00 H new ATOM 0 HB3 GLN A 81 5.612 -12.301 -13.992 1.00 55.00 H new ATOM 0 HG2 GLN A 81 6.002 -12.573 -16.452 1.00 1.00 H new ATOM 0 HG3 GLN A 81 5.692 -10.860 -16.650 1.00 1.00 H new ATOM 0 HE21 GLN A 81 7.169 -9.330 -15.836 1.00 23.00 H new ATOM 0 HE22 GLN A 81 8.818 -9.796 -15.408 1.00 23.00 H new