USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 559 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 22 GLN : amide:sc= -4.86! C(o=-5.9!,f=-19!) USER MOD Set 1.2: A 71 SER OG : rot -75:sc= -1.01! USER MOD Single : A 16 ASN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 17 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0348) USER MOD Single : A 19 ASN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -0.394 X(o=-0.39,f=-0.13) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=-0.092) USER MOD Single : A 36 ASN : amide:sc= -0.0472 K(o=-0.047,f=-2.7!) USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 41 ASN : amide:sc= -0.0298 K(o=-0.03,f=-0.79) USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 46 SER OG : rot 79:sc= 0.179 USER MOD Single : A 48 LYS NZ :NH3+ -139:sc= 0 (180deg=-0.749) USER MOD Single : A 51 SER OG : rot -160:sc= 0 USER MOD Single : A 52 TYR OH : rot 119:sc= 0.811 USER MOD Single : A 56 ASN : amide:sc= -6.93! C(o=-6.9!,f=-4!) USER MOD Single : A 57 ASN : amide:sc= -0.794 K(o=-0.79,f=-0.11) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= -0.151 USER MOD Single : A 69 SER OG : rot -80:sc= -2.87! USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 73 ASN : amide:sc= -0.0338 K(o=-0.034,f=-1.3!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -1.07 K(o=-1.1,f=-0.36) USER MOD Single : A 85 GLN : amide:sc=-0.00316 X(o=-0.0032,f=-0.0032) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 13 4.372 22.510 9.672 1.00 0.00 N ATOM 2 CA GLY A 13 4.309 21.780 10.971 1.00 0.00 C ATOM 3 C GLY A 13 2.894 21.231 11.195 1.00 0.00 C ATOM 4 O GLY A 13 2.307 21.435 12.268 1.00 0.00 O ATOM 0 HA2 GLY A 13 5.030 20.963 10.974 1.00 0.00 H new ATOM 0 HA3 GLY A 13 4.582 22.449 11.787 1.00 0.00 H new ATOM 8 N VAL A 14 2.350 20.534 10.162 1.00 0.00 N ATOM 9 CA VAL A 14 0.983 19.930 10.201 1.00 0.00 C ATOM 10 C VAL A 14 1.095 18.404 9.933 1.00 0.00 C ATOM 11 O VAL A 14 1.759 17.989 8.978 1.00 0.00 O ATOM 12 CB VAL A 14 0.042 20.664 9.126 1.00 0.00 C ATOM 13 CG1 VAL A 14 -1.339 19.895 8.910 1.00 0.00 C ATOM 14 CG2 VAL A 14 -0.239 22.179 9.557 1.00 0.00 C ATOM 0 H VAL A 14 2.840 20.373 9.282 1.00 0.00 H new ATOM 0 HA VAL A 14 0.530 20.067 11.183 1.00 0.00 H new ATOM 0 HB VAL A 14 0.580 20.655 8.178 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.941 20.429 8.175 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.141 18.885 8.552 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.880 19.846 9.855 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.878 22.656 8.814 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.736 22.195 10.527 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.705 22.719 9.624 1.00 0.00 H new ATOM 24 N ASP A 15 0.421 17.584 10.796 1.00 0.00 N ATOM 25 CA ASP A 15 0.405 16.091 10.692 1.00 0.00 C ATOM 26 C ASP A 15 -0.432 15.645 9.456 1.00 0.00 C ATOM 27 O ASP A 15 -1.438 16.288 9.118 1.00 0.00 O ATOM 28 CB ASP A 15 -0.147 15.447 12.030 1.00 0.00 C ATOM 29 CG ASP A 15 0.851 15.607 13.218 1.00 0.00 C ATOM 30 OD1 ASP A 15 2.011 15.939 12.986 1.00 0.00 O ATOM 31 OD2 ASP A 15 0.436 15.390 14.345 1.00 0.00 O ATOM 0 H ASP A 15 -0.125 17.939 11.581 1.00 0.00 H new ATOM 0 HA ASP A 15 1.426 15.736 10.551 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -1.097 15.914 12.291 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -0.347 14.388 11.866 1.00 0.00 H new ATOM 36 N ASN A 16 0.038 14.557 8.784 1.00 0.00 N ATOM 37 CA ASN A 16 -0.590 13.988 7.552 1.00 0.00 C ATOM 38 C ASN A 16 -1.453 12.741 7.897 1.00 0.00 C ATOM 39 O ASN A 16 -1.096 11.957 8.781 1.00 0.00 O ATOM 40 CB ASN A 16 0.548 13.615 6.528 1.00 0.00 C ATOM 41 CG ASN A 16 1.247 14.872 5.930 1.00 0.00 C ATOM 42 OD1 ASN A 16 0.708 15.984 5.963 1.00 0.00 O ATOM 43 ND2 ASN A 16 2.424 14.750 5.371 1.00 0.00 N ATOM 0 H ASN A 16 0.868 14.045 9.082 1.00 0.00 H new ATOM 0 HA ASN A 16 -1.252 14.730 7.106 1.00 0.00 H new ATOM 0 HB2 ASN A 16 1.291 12.992 7.026 1.00 0.00 H new ATOM 0 HB3 ASN A 16 0.124 13.020 5.719 1.00 0.00 H new ATOM 0 HD21 ASN A 16 2.885 15.567 4.970 1.00 0.00 H new ATOM 0 HD22 ASN A 16 2.880 13.838 5.337 1.00 0.00 H new ATOM 50 N LYS A 17 -2.595 12.613 7.179 1.00 0.00 N ATOM 51 CA LYS A 17 -3.607 11.516 7.342 1.00 0.00 C ATOM 52 C LYS A 17 -3.529 10.519 6.161 1.00 0.00 C ATOM 53 O LYS A 17 -3.204 10.939 5.046 1.00 0.00 O ATOM 54 CB LYS A 17 -5.048 12.179 7.339 1.00 0.00 C ATOM 55 CG LYS A 17 -5.274 13.106 8.612 1.00 0.00 C ATOM 56 CD LYS A 17 -6.706 13.811 8.609 1.00 0.00 C ATOM 57 CE LYS A 17 -6.882 14.773 9.849 1.00 0.00 C ATOM 58 NZ LYS A 17 -6.889 13.975 11.116 1.00 0.00 N ATOM 0 H LYS A 17 -2.853 13.280 6.451 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.411 10.980 8.271 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.174 12.770 6.432 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -5.808 11.398 7.319 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.170 12.507 9.517 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.497 13.870 8.644 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -6.831 14.378 7.687 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.487 13.051 8.624 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -6.072 15.502 9.873 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -7.812 15.333 9.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -7.073 14.606 11.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.634 13.251 11.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.965 13.514 11.241 1.00 0.00 H new ATOM 72 N PHE A 18 -3.926 9.212 6.368 1.00 0.00 N ATOM 73 CA PHE A 18 -3.978 8.249 5.219 1.00 0.00 C ATOM 74 C PHE A 18 -5.091 8.796 4.369 1.00 0.00 C ATOM 75 O PHE A 18 -6.169 8.950 4.974 1.00 0.00 O ATOM 76 CB PHE A 18 -4.356 6.768 5.676 1.00 0.00 C ATOM 77 CG PHE A 18 -5.199 6.728 6.996 1.00 0.00 C ATOM 78 CD1 PHE A 18 -6.622 6.769 6.980 1.00 0.00 C ATOM 79 CD2 PHE A 18 -4.533 6.660 8.254 1.00 0.00 C ATOM 80 CE1 PHE A 18 -7.347 6.750 8.186 1.00 0.00 C ATOM 81 CE2 PHE A 18 -5.271 6.637 9.448 1.00 0.00 C ATOM 82 CZ PHE A 18 -6.674 6.686 9.416 1.00 0.00 C ATOM 0 H PHE A 18 -4.199 8.824 7.271 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.012 8.170 4.720 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.917 6.280 4.879 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -3.441 6.194 5.819 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -7.148 6.815 6.038 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -3.454 6.626 8.289 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -8.426 6.785 8.165 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -4.757 6.581 10.396 1.00 0.00 H new ATOM 0 HZ PHE A 18 -7.236 6.674 10.338 1.00 0.00 H new ATOM 92 N ASN A 19 -5.016 9.216 3.036 1.00 0.00 N ATOM 93 CA ASN A 19 -6.312 9.779 2.677 1.00 0.00 C ATOM 94 C ASN A 19 -7.199 8.717 2.034 1.00 0.00 C ATOM 95 O ASN A 19 -6.986 7.520 2.224 1.00 0.00 O ATOM 96 CB ASN A 19 -6.053 11.039 1.729 1.00 0.00 C ATOM 97 CG ASN A 19 -5.418 12.230 2.504 1.00 0.00 C ATOM 98 OD1 ASN A 19 -5.497 12.306 3.734 1.00 0.00 O ATOM 99 ND2 ASN A 19 -4.780 13.165 1.851 1.00 0.00 N ATOM 0 H ASN A 19 -4.251 9.180 2.362 1.00 0.00 H new ATOM 0 HA ASN A 19 -6.852 10.117 3.561 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -5.396 10.748 0.910 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -6.995 11.357 1.283 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -4.356 13.943 2.357 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -4.706 13.117 0.835 1.00 0.00 H new ATOM 106 N LYS A 20 -8.192 9.164 1.273 1.00 0.00 N ATOM 107 CA LYS A 20 -9.105 8.242 0.606 1.00 0.00 C ATOM 108 C LYS A 20 -8.499 7.739 -0.700 1.00 0.00 C ATOM 109 O LYS A 20 -8.479 6.537 -0.964 1.00 0.00 O ATOM 110 CB LYS A 20 -10.492 8.979 0.365 1.00 0.00 C ATOM 111 CG LYS A 20 -10.380 10.298 -0.558 1.00 0.00 C ATOM 112 CD LYS A 20 -11.787 10.996 -0.835 1.00 0.00 C ATOM 113 CE LYS A 20 -12.378 11.703 0.444 1.00 0.00 C ATOM 114 NZ LYS A 20 -13.635 12.414 0.091 1.00 0.00 N ATOM 0 H LYS A 20 -8.385 10.151 1.103 1.00 0.00 H new ATOM 0 HA LYS A 20 -9.276 7.368 1.234 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -11.188 8.280 -0.100 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -10.917 9.257 1.329 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.715 11.015 -0.076 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.922 10.029 -1.510 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -11.673 11.731 -1.631 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -12.495 10.248 -1.191 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -12.573 10.964 1.221 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -11.652 12.408 0.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -14.021 12.879 0.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -13.436 13.130 -0.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -14.329 11.731 -0.276 1.00 0.00 H new ATOM 128 N GLU A 21 -8.007 8.667 -1.514 1.00 0.00 N ATOM 129 CA GLU A 21 -7.403 8.306 -2.792 1.00 0.00 C ATOM 130 C GLU A 21 -6.351 7.219 -2.598 1.00 0.00 C ATOM 131 O GLU A 21 -6.107 6.412 -3.495 1.00 0.00 O ATOM 132 CB GLU A 21 -6.753 9.589 -3.459 1.00 0.00 C ATOM 133 CG GLU A 21 -6.133 9.293 -4.906 1.00 0.00 C ATOM 134 CD GLU A 21 -5.544 10.559 -5.579 1.00 0.00 C ATOM 135 OE1 GLU A 21 -5.387 11.568 -4.906 1.00 0.00 O ATOM 136 OE2 GLU A 21 -5.250 10.491 -6.766 1.00 0.00 O ATOM 0 H GLU A 21 -8.014 9.667 -1.314 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.179 7.917 -3.451 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.509 10.369 -3.546 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.970 9.975 -2.806 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.351 8.539 -4.814 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.907 8.872 -5.548 1.00 0.00 H new ATOM 143 N GLN A 22 -5.732 7.203 -1.422 1.00 0.00 N ATOM 144 CA GLN A 22 -4.708 6.210 -1.122 1.00 0.00 C ATOM 145 C GLN A 22 -5.347 4.894 -0.690 1.00 0.00 C ATOM 146 O GLN A 22 -5.113 3.850 -1.298 1.00 0.00 O ATOM 147 CB GLN A 22 -3.773 6.784 0.027 1.00 0.00 C ATOM 148 CG GLN A 22 -3.545 8.351 -0.106 1.00 0.00 C ATOM 149 CD GLN A 22 -3.010 8.786 -1.478 1.00 0.00 C ATOM 150 OE1 GLN A 22 -2.194 8.112 -2.063 1.00 0.00 O ATOM 151 NE2 GLN A 22 -3.407 9.899 -2.012 1.00 0.00 N ATOM 0 H GLN A 22 -5.920 7.862 -0.666 1.00 0.00 H new ATOM 0 HA GLN A 22 -4.114 6.010 -2.014 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -4.218 6.565 0.998 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -2.810 6.275 -0.004 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -4.488 8.863 0.085 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -2.845 8.674 0.665 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -4.095 10.479 -1.531 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -3.032 10.195 -2.913 1.00 0.00 H new ATOM 160 N GLN A 23 -6.155 4.953 0.363 1.00 0.00 N ATOM 161 CA GLN A 23 -6.824 3.759 0.868 1.00 0.00 C ATOM 162 C GLN A 23 -7.470 2.983 -0.275 1.00 0.00 C ATOM 163 O GLN A 23 -7.442 1.752 -0.296 1.00 0.00 O ATOM 164 CB GLN A 23 -7.961 4.101 1.932 1.00 0.00 C ATOM 165 CG GLN A 23 -7.386 4.644 3.302 1.00 0.00 C ATOM 166 CD GLN A 23 -8.524 5.049 4.284 1.00 0.00 C ATOM 167 OE1 GLN A 23 -9.314 5.948 3.985 1.00 0.00 O ATOM 168 NE2 GLN A 23 -8.634 4.453 5.450 1.00 0.00 N ATOM 0 H GLN A 23 -6.362 5.808 0.880 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.053 3.163 1.355 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -8.635 4.845 1.508 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -8.553 3.206 2.123 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.762 3.879 3.764 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -6.746 5.505 3.112 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -7.985 3.709 5.706 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -9.368 4.735 6.100 1.00 0.00 H new ATOM 177 N ASN A 24 -8.052 3.710 -1.223 1.00 0.00 N ATOM 178 CA ASN A 24 -8.703 3.078 -2.365 1.00 0.00 C ATOM 179 C ASN A 24 -7.705 2.234 -3.151 1.00 0.00 C ATOM 180 O ASN A 24 -7.981 1.084 -3.490 1.00 0.00 O ATOM 181 CB ASN A 24 -9.336 4.196 -3.282 1.00 0.00 C ATOM 182 CG ASN A 24 -10.034 3.606 -4.535 1.00 0.00 C ATOM 183 OD1 ASN A 24 -10.855 2.693 -4.419 1.00 0.00 O ATOM 184 ND2 ASN A 24 -9.753 4.077 -5.723 1.00 0.00 N ATOM 0 H ASN A 24 -8.086 4.729 -1.224 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.492 2.414 -2.012 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -10.059 4.771 -2.703 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -8.556 4.889 -3.596 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -10.212 3.689 -6.547 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -9.075 4.832 -5.825 1.00 0.00 H new ATOM 191 N ALA A 25 -6.543 2.814 -3.437 1.00 0.00 N ATOM 192 CA ALA A 25 -5.511 2.105 -4.184 1.00 0.00 C ATOM 193 C ALA A 25 -4.924 0.973 -3.346 1.00 0.00 C ATOM 194 O ALA A 25 -4.584 -0.088 -3.869 1.00 0.00 O ATOM 195 CB ALA A 25 -4.421 3.138 -4.563 1.00 0.00 C ATOM 0 H ALA A 25 -6.294 3.765 -3.165 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.930 1.652 -5.083 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.629 2.642 -5.125 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.862 3.925 -5.175 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.003 3.575 -3.656 1.00 0.00 H new ATOM 201 N PHE A 26 -4.810 1.207 -2.042 1.00 0.00 N ATOM 202 CA PHE A 26 -4.263 0.200 -1.141 1.00 0.00 C ATOM 203 C PHE A 26 -5.063 -1.095 -1.236 1.00 0.00 C ATOM 204 O PHE A 26 -4.502 -2.189 -1.174 1.00 0.00 O ATOM 205 CB PHE A 26 -4.350 0.676 0.363 1.00 0.00 C ATOM 206 CG PHE A 26 -3.890 -0.439 1.387 1.00 0.00 C ATOM 207 CD1 PHE A 26 -2.532 -0.621 1.732 1.00 0.00 C ATOM 208 CD2 PHE A 26 -4.863 -1.315 1.978 1.00 0.00 C ATOM 209 CE1 PHE A 26 -2.161 -1.628 2.643 1.00 0.00 C ATOM 210 CE2 PHE A 26 -4.472 -2.317 2.883 1.00 0.00 C ATOM 211 CZ PHE A 26 -3.125 -2.472 3.215 1.00 0.00 C ATOM 0 H PHE A 26 -5.087 2.078 -1.589 1.00 0.00 H new ATOM 0 HA PHE A 26 -3.225 0.045 -1.436 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.730 1.562 0.495 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -5.376 0.968 0.588 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -1.776 0.015 1.295 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -5.907 -1.203 1.724 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.121 -1.753 2.905 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -5.214 -2.967 3.322 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.825 -3.241 3.912 1.00 0.00 H new ATOM 221 N TYR A 27 -6.377 -0.963 -1.387 1.00 0.00 N ATOM 222 CA TYR A 27 -7.245 -2.130 -1.489 1.00 0.00 C ATOM 223 C TYR A 27 -7.030 -2.843 -2.820 1.00 0.00 C ATOM 224 O TYR A 27 -6.948 -4.070 -2.872 1.00 0.00 O ATOM 225 CB TYR A 27 -8.765 -1.718 -1.327 1.00 0.00 C ATOM 226 CG TYR A 27 -9.158 -1.507 0.181 1.00 0.00 C ATOM 227 CD1 TYR A 27 -9.279 -2.633 1.054 1.00 0.00 C ATOM 228 CD2 TYR A 27 -9.439 -0.218 0.707 1.00 0.00 C ATOM 229 CE1 TYR A 27 -9.648 -2.454 2.400 1.00 0.00 C ATOM 230 CE2 TYR A 27 -9.806 -0.060 2.052 1.00 0.00 C ATOM 231 CZ TYR A 27 -9.907 -1.170 2.895 1.00 0.00 C ATOM 232 OH TYR A 27 -10.274 -1.000 4.219 1.00 0.00 O ATOM 0 H TYR A 27 -6.861 -0.067 -1.441 1.00 0.00 H new ATOM 0 HA TYR A 27 -6.987 -2.814 -0.681 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -8.953 -0.800 -1.883 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -9.399 -2.490 -1.763 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -9.086 -3.627 0.678 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -9.370 0.648 0.066 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -9.732 -3.310 3.053 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -10.012 0.927 2.439 1.00 0.00 H new ATOM 0 HH TYR A 27 -10.416 -0.047 4.399 1.00 0.00 H new ATOM 242 N GLU A 28 -6.939 -2.066 -3.894 1.00 0.00 N ATOM 243 CA GLU A 28 -6.733 -2.634 -5.221 1.00 0.00 C ATOM 244 C GLU A 28 -5.502 -3.535 -5.233 1.00 0.00 C ATOM 245 O GLU A 28 -5.529 -4.632 -5.792 1.00 0.00 O ATOM 246 CB GLU A 28 -6.634 -1.487 -6.279 1.00 0.00 C ATOM 247 CG GLU A 28 -8.012 -0.704 -6.471 1.00 0.00 C ATOM 248 CD GLU A 28 -9.148 -1.595 -7.061 1.00 0.00 C ATOM 249 OE1 GLU A 28 -8.842 -2.603 -7.687 1.00 0.00 O ATOM 250 OE2 GLU A 28 -10.306 -1.246 -6.880 1.00 0.00 O ATOM 0 H GLU A 28 -7.004 -1.048 -3.872 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.587 -3.258 -5.485 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.860 -0.783 -5.974 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.323 -1.907 -7.236 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.334 -0.307 -5.508 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.849 0.149 -7.130 1.00 0.00 H new ATOM 257 N ILE A 29 -4.425 -3.065 -4.614 1.00 0.00 N ATOM 258 CA ILE A 29 -3.189 -3.837 -4.559 1.00 0.00 C ATOM 259 C ILE A 29 -3.385 -5.104 -3.733 1.00 0.00 C ATOM 260 O ILE A 29 -2.724 -6.116 -3.964 1.00 0.00 O ATOM 261 CB ILE A 29 -2.034 -2.911 -3.941 1.00 0.00 C ATOM 262 CG1 ILE A 29 -1.458 -1.911 -5.069 1.00 0.00 C ATOM 263 CG2 ILE A 29 -0.829 -3.759 -3.324 1.00 0.00 C ATOM 264 CD1 ILE A 29 -2.011 -0.474 -4.951 1.00 0.00 C ATOM 0 H ILE A 29 -4.382 -2.160 -4.146 1.00 0.00 H new ATOM 0 HA ILE A 29 -2.900 -4.148 -5.563 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.489 -2.343 -3.129 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -0.371 -1.882 -4.998 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.702 -2.307 -6.055 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -0.077 -3.082 -2.920 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.206 -4.400 -2.527 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.381 -4.375 -4.104 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.584 0.146 -5.739 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -3.096 -0.492 -5.052 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.744 -0.060 -3.979 1.00 0.00 H new ATOM 276 N LEU A 30 -4.297 -5.040 -2.768 1.00 0.00 N ATOM 277 CA LEU A 30 -4.572 -6.189 -1.913 1.00 0.00 C ATOM 278 C LEU A 30 -5.507 -7.168 -2.615 1.00 0.00 C ATOM 279 O LEU A 30 -5.777 -8.256 -2.107 1.00 0.00 O ATOM 280 CB LEU A 30 -5.213 -5.679 -0.547 1.00 0.00 C ATOM 281 CG LEU A 30 -5.462 -6.837 0.563 1.00 0.00 C ATOM 282 CD1 LEU A 30 -4.128 -7.582 0.967 1.00 0.00 C ATOM 283 CD2 LEU A 30 -6.164 -6.239 1.850 1.00 0.00 C ATOM 0 H LEU A 30 -4.854 -4.211 -2.560 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.641 -6.714 -1.700 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.561 -4.918 -0.118 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.165 -5.196 -0.767 1.00 0.00 H new ATOM 0 HG LEU A 30 -6.121 -7.574 0.105 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.349 -8.347 1.712 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.691 -8.050 0.085 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.422 -6.864 1.383 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.321 -7.033 2.581 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.530 -5.466 2.284 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.125 -5.806 1.572 1.00 0.00 H new ATOM 295 N HIS A 31 -5.998 -6.774 -3.785 1.00 0.00 N ATOM 296 CA HIS A 31 -6.903 -7.626 -4.548 1.00 0.00 C ATOM 297 C HIS A 31 -6.140 -8.384 -5.630 1.00 0.00 C ATOM 298 O HIS A 31 -6.724 -9.159 -6.387 1.00 0.00 O ATOM 299 CB HIS A 31 -8.065 -6.750 -5.180 1.00 0.00 C ATOM 300 CG HIS A 31 -9.043 -6.268 -4.101 1.00 0.00 C ATOM 301 ND1 HIS A 31 -9.677 -7.165 -3.257 1.00 0.00 N ATOM 302 CD2 HIS A 31 -9.555 -5.030 -3.759 1.00 0.00 C ATOM 303 CE1 HIS A 31 -10.514 -6.471 -2.467 1.00 0.00 C ATOM 304 NE2 HIS A 31 -10.477 -5.168 -2.731 1.00 0.00 N ATOM 0 H HIS A 31 -5.787 -5.877 -4.223 1.00 0.00 H new ATOM 0 HA HIS A 31 -7.349 -8.360 -3.877 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -7.637 -5.891 -5.697 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -8.602 -7.336 -5.926 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -9.279 -4.095 -4.223 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -11.141 -6.917 -1.709 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -11.012 -4.428 -2.275 1.00 0.00 H new ATOM 313 N LEU A 32 -4.839 -8.175 -5.767 1.00 0.00 N ATOM 314 CA LEU A 32 -4.066 -8.857 -6.839 1.00 0.00 C ATOM 315 C LEU A 32 -4.134 -10.441 -6.772 1.00 0.00 C ATOM 316 O LEU A 32 -3.608 -11.002 -5.831 1.00 0.00 O ATOM 317 CB LEU A 32 -2.555 -8.339 -6.808 1.00 0.00 C ATOM 318 CG LEU A 32 -2.430 -6.738 -6.921 1.00 0.00 C ATOM 319 CD1 LEU A 32 -0.929 -6.227 -6.934 1.00 0.00 C ATOM 320 CD2 LEU A 32 -3.224 -6.125 -8.142 1.00 0.00 C ATOM 0 H LEU A 32 -4.290 -7.555 -5.172 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.531 -8.595 -7.789 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.084 -8.669 -5.882 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.003 -8.799 -7.628 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.901 -6.373 -6.008 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.915 -5.140 -7.012 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.433 -6.531 -6.012 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.405 -6.658 -7.787 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.094 -5.043 -8.154 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.843 -6.547 -9.072 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.283 -6.362 -8.043 1.00 0.00 H new ATOM 332 N PRO A 33 -4.725 -11.189 -7.771 1.00 0.00 N ATOM 333 CA PRO A 33 -4.728 -12.721 -7.755 1.00 0.00 C ATOM 334 C PRO A 33 -3.310 -13.294 -8.006 1.00 0.00 C ATOM 335 O PRO A 33 -2.454 -12.580 -8.551 1.00 0.00 O ATOM 336 CB PRO A 33 -5.764 -13.116 -8.844 1.00 0.00 C ATOM 337 CG PRO A 33 -5.691 -11.995 -9.854 1.00 0.00 C ATOM 338 CD PRO A 33 -5.442 -10.702 -9.015 1.00 0.00 C ATOM 0 HA PRO A 33 -5.005 -13.138 -6.787 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -5.518 -14.076 -9.297 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -6.766 -13.209 -8.425 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -4.885 -12.161 -10.569 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -6.615 -11.921 -10.427 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -4.837 -9.982 -9.566 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -6.379 -10.205 -8.764 1.00 0.00 H new ATOM 346 N ASN A 34 -3.064 -14.572 -7.561 1.00 0.00 N ATOM 347 CA ASN A 34 -1.729 -15.239 -7.696 1.00 0.00 C ATOM 348 C ASN A 34 -0.683 -14.376 -6.949 1.00 0.00 C ATOM 349 O ASN A 34 0.240 -13.818 -7.558 1.00 0.00 O ATOM 350 CB ASN A 34 -1.329 -15.481 -9.217 1.00 0.00 C ATOM 351 CG ASN A 34 -2.322 -16.433 -9.919 1.00 0.00 C ATOM 352 OD1 ASN A 34 -2.604 -17.526 -9.419 1.00 0.00 O ATOM 353 ND2 ASN A 34 -2.860 -16.085 -11.059 1.00 0.00 N ATOM 0 H ASN A 34 -3.770 -15.153 -7.110 1.00 0.00 H new ATOM 0 HA ASN A 34 -1.771 -16.232 -7.248 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -1.304 -14.527 -9.744 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -0.324 -15.900 -9.268 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -3.509 -16.715 -11.530 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -2.631 -15.183 -11.477 1.00 0.00 H new ATOM 360 N LEU A 35 -0.933 -14.170 -5.633 1.00 0.00 N ATOM 361 CA LEU A 35 -0.120 -13.260 -4.794 1.00 0.00 C ATOM 362 C LEU A 35 1.360 -13.711 -4.650 1.00 0.00 C ATOM 363 O LEU A 35 1.649 -14.871 -4.339 1.00 0.00 O ATOM 364 CB LEU A 35 -0.771 -13.195 -3.323 1.00 0.00 C ATOM 365 CG LEU A 35 -2.196 -12.430 -3.262 1.00 0.00 C ATOM 366 CD1 LEU A 35 -2.950 -12.664 -1.881 1.00 0.00 C ATOM 367 CD2 LEU A 35 -2.017 -10.867 -3.479 1.00 0.00 C ATOM 0 H LEU A 35 -1.695 -14.625 -5.129 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.119 -12.289 -5.288 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.900 -14.211 -2.950 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.074 -12.695 -2.651 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.798 -12.853 -4.066 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -3.900 -12.130 -1.890 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.134 -13.729 -1.743 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.333 -12.293 -1.062 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.991 -10.379 -3.433 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.372 -10.463 -2.699 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.566 -10.684 -4.454 1.00 0.00 H new ATOM 379 N ASN A 36 2.259 -12.696 -4.783 1.00 0.00 N ATOM 380 CA ASN A 36 3.714 -12.821 -4.562 1.00 0.00 C ATOM 381 C ASN A 36 3.890 -11.873 -3.366 1.00 0.00 C ATOM 382 O ASN A 36 3.484 -10.697 -3.431 1.00 0.00 O ATOM 383 CB ASN A 36 4.528 -12.388 -5.836 1.00 0.00 C ATOM 384 CG ASN A 36 6.055 -12.590 -5.640 1.00 0.00 C ATOM 385 OD1 ASN A 36 6.538 -12.771 -4.516 1.00 0.00 O ATOM 386 ND2 ASN A 36 6.847 -12.565 -6.676 1.00 0.00 N ATOM 0 H ASN A 36 1.979 -11.753 -5.052 1.00 0.00 H new ATOM 0 HA ASN A 36 4.079 -13.831 -4.375 1.00 0.00 H new ATOM 0 HB2 ASN A 36 4.192 -12.967 -6.696 1.00 0.00 H new ATOM 0 HB3 ASN A 36 4.325 -11.340 -6.058 1.00 0.00 H new ATOM 0 HD21 ASN A 36 7.851 -12.694 -6.553 1.00 0.00 H new ATOM 0 HD22 ASN A 36 6.462 -12.417 -7.609 1.00 0.00 H new ATOM 393 N GLU A 37 4.354 -12.438 -2.252 1.00 0.00 N ATOM 394 CA GLU A 37 4.417 -11.733 -0.977 1.00 0.00 C ATOM 395 C GLU A 37 5.471 -10.631 -1.025 1.00 0.00 C ATOM 396 O GLU A 37 5.219 -9.500 -0.609 1.00 0.00 O ATOM 397 CB GLU A 37 4.749 -12.763 0.186 1.00 0.00 C ATOM 398 CG GLU A 37 3.571 -13.811 0.436 1.00 0.00 C ATOM 399 CD GLU A 37 3.571 -14.996 -0.576 1.00 0.00 C ATOM 400 OE1 GLU A 37 4.382 -15.006 -1.493 1.00 0.00 O ATOM 401 OE2 GLU A 37 2.780 -15.908 -0.385 1.00 0.00 O ATOM 0 H GLU A 37 4.696 -13.398 -2.210 1.00 0.00 H new ATOM 0 HA GLU A 37 3.450 -11.271 -0.781 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.663 -13.302 -0.062 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.943 -12.214 1.107 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.656 -14.207 1.448 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.614 -13.292 0.376 1.00 0.00 H new ATOM 408 N GLU A 38 6.651 -10.970 -1.534 1.00 0.00 N ATOM 409 CA GLU A 38 7.736 -10.000 -1.632 1.00 0.00 C ATOM 410 C GLU A 38 7.280 -8.760 -2.394 1.00 0.00 C ATOM 411 O GLU A 38 7.590 -7.633 -2.007 1.00 0.00 O ATOM 412 CB GLU A 38 8.977 -10.662 -2.366 1.00 0.00 C ATOM 413 CG GLU A 38 9.645 -11.822 -1.500 1.00 0.00 C ATOM 414 CD GLU A 38 10.817 -12.526 -2.247 1.00 0.00 C ATOM 415 OE1 GLU A 38 11.132 -12.133 -3.363 1.00 0.00 O ATOM 416 OE2 GLU A 38 11.385 -13.450 -1.679 1.00 0.00 O ATOM 0 H GLU A 38 6.880 -11.901 -1.882 1.00 0.00 H new ATOM 0 HA GLU A 38 8.029 -9.698 -0.627 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.655 -11.067 -3.325 1.00 0.00 H new ATOM 0 HB3 GLU A 38 9.722 -9.895 -2.578 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.014 -11.405 -0.563 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.887 -12.561 -1.243 1.00 0.00 H new ATOM 423 N GLN A 39 6.543 -8.976 -3.478 1.00 0.00 N ATOM 424 CA GLN A 39 6.049 -7.868 -4.287 1.00 0.00 C ATOM 425 C GLN A 39 4.981 -7.086 -3.530 1.00 0.00 C ATOM 426 O GLN A 39 5.071 -5.866 -3.393 1.00 0.00 O ATOM 427 CB GLN A 39 5.479 -8.416 -5.652 1.00 0.00 C ATOM 428 CG GLN A 39 6.617 -9.000 -6.600 1.00 0.00 C ATOM 429 CD GLN A 39 6.042 -9.581 -7.923 1.00 0.00 C ATOM 430 OE1 GLN A 39 4.841 -9.482 -8.194 1.00 0.00 O ATOM 431 NE2 GLN A 39 6.845 -10.162 -8.775 1.00 0.00 N ATOM 0 H GLN A 39 6.276 -9.901 -3.815 1.00 0.00 H new ATOM 0 HA GLN A 39 6.875 -7.189 -4.499 1.00 0.00 H new ATOM 0 HB2 GLN A 39 4.745 -9.196 -5.448 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.955 -7.613 -6.171 1.00 0.00 H new ATOM 0 HG2 GLN A 39 7.333 -8.212 -6.833 1.00 0.00 H new ATOM 0 HG3 GLN A 39 7.163 -9.780 -6.070 1.00 0.00 H new ATOM 0 HE21 GLN A 39 7.839 -10.249 -8.561 1.00 0.00 H new ATOM 0 HE22 GLN A 39 6.478 -10.528 -9.653 1.00 0.00 H new ATOM 440 N ARG A 40 3.970 -7.797 -3.042 1.00 0.00 N ATOM 441 CA ARG A 40 2.888 -7.158 -2.300 1.00 0.00 C ATOM 442 C ARG A 40 3.449 -6.204 -1.250 1.00 0.00 C ATOM 443 O ARG A 40 3.074 -5.033 -1.198 1.00 0.00 O ATOM 444 CB ARG A 40 2.003 -8.294 -1.613 1.00 0.00 C ATOM 445 CG ARG A 40 0.737 -7.729 -0.832 1.00 0.00 C ATOM 446 CD ARG A 40 -0.144 -8.873 -0.195 1.00 0.00 C ATOM 447 NE ARG A 40 0.617 -9.616 0.847 1.00 0.00 N ATOM 448 CZ ARG A 40 0.676 -9.253 2.148 1.00 0.00 C ATOM 449 NH1 ARG A 40 0.052 -8.190 2.584 1.00 0.00 N ATOM 450 NH2 ARG A 40 1.372 -9.971 2.984 1.00 0.00 N ATOM 0 H ARG A 40 3.877 -8.807 -3.145 1.00 0.00 H new ATOM 0 HA ARG A 40 2.270 -6.573 -2.981 1.00 0.00 H new ATOM 0 HB2 ARG A 40 1.665 -8.993 -2.378 1.00 0.00 H new ATOM 0 HB3 ARG A 40 2.626 -8.858 -0.919 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.072 -7.053 -0.045 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.124 -7.142 -1.517 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.043 -8.442 0.245 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.469 -9.563 -0.974 1.00 0.00 H new ATOM 0 HE ARG A 40 1.126 -10.452 0.561 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.492 -7.617 1.939 1.00 0.00 H new ATOM 0 HH12 ARG A 40 0.109 -7.933 3.570 1.00 0.00 H new ATOM 0 HH21 ARG A 40 1.867 -10.800 2.655 1.00 0.00 H new ATOM 0 HH22 ARG A 40 1.422 -9.704 3.967 1.00 0.00 H new ATOM 464 N ASN A 41 4.350 -6.713 -0.416 1.00 0.00 N ATOM 465 CA ASN A 41 4.957 -5.896 0.629 1.00 0.00 C ATOM 466 C ASN A 41 5.594 -4.647 0.030 1.00 0.00 C ATOM 467 O ASN A 41 5.144 -3.529 0.278 1.00 0.00 O ATOM 468 CB ASN A 41 6.031 -6.756 1.420 1.00 0.00 C ATOM 469 CG ASN A 41 6.289 -6.199 2.845 1.00 0.00 C ATOM 470 OD1 ASN A 41 5.367 -5.731 3.522 1.00 0.00 O ATOM 471 ND2 ASN A 41 7.492 -6.226 3.345 1.00 0.00 N ATOM 0 H ASN A 41 4.674 -7.680 -0.442 1.00 0.00 H new ATOM 0 HA ASN A 41 4.183 -5.574 1.326 1.00 0.00 H new ATOM 0 HB2 ASN A 41 5.687 -7.788 1.491 1.00 0.00 H new ATOM 0 HB3 ASN A 41 6.967 -6.769 0.861 1.00 0.00 H new ATOM 0 HD21 ASN A 41 7.663 -5.864 4.283 1.00 0.00 H new ATOM 0 HD22 ASN A 41 8.263 -6.609 2.798 1.00 0.00 H new ATOM 478 N ALA A 42 6.645 -4.845 -0.760 1.00 0.00 N ATOM 479 CA ALA A 42 7.336 -3.726 -1.389 1.00 0.00 C ATOM 480 C ALA A 42 6.341 -2.652 -1.817 1.00 0.00 C ATOM 481 O ALA A 42 6.518 -1.472 -1.515 1.00 0.00 O ATOM 482 CB ALA A 42 8.159 -4.243 -2.625 1.00 0.00 C ATOM 0 H ALA A 42 7.034 -5.762 -0.978 1.00 0.00 H new ATOM 0 HA ALA A 42 8.021 -3.280 -0.667 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.675 -3.406 -3.094 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.890 -4.980 -2.293 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.483 -4.703 -3.346 1.00 0.00 H new ATOM 488 N PHE A 43 5.294 -3.070 -2.521 1.00 0.00 N ATOM 489 CA PHE A 43 4.276 -2.135 -2.985 1.00 0.00 C ATOM 490 C PHE A 43 3.473 -1.589 -1.808 1.00 0.00 C ATOM 491 O PHE A 43 3.235 -0.386 -1.712 1.00 0.00 O ATOM 492 CB PHE A 43 3.347 -2.876 -4.022 1.00 0.00 C ATOM 493 CG PHE A 43 4.162 -3.562 -5.183 1.00 0.00 C ATOM 494 CD1 PHE A 43 5.549 -3.272 -5.422 1.00 0.00 C ATOM 495 CD2 PHE A 43 3.539 -4.569 -5.973 1.00 0.00 C ATOM 496 CE1 PHE A 43 6.262 -3.967 -6.374 1.00 0.00 C ATOM 497 CE2 PHE A 43 4.274 -5.231 -6.958 1.00 0.00 C ATOM 498 CZ PHE A 43 5.635 -4.937 -7.140 1.00 0.00 C ATOM 0 H PHE A 43 5.129 -4.042 -2.781 1.00 0.00 H new ATOM 0 HA PHE A 43 4.748 -1.283 -3.474 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.758 -3.631 -3.502 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.644 -2.161 -4.450 1.00 0.00 H new ATOM 0 HD1 PHE A 43 6.039 -2.499 -4.848 1.00 0.00 H new ATOM 0 HD2 PHE A 43 2.501 -4.820 -5.811 1.00 0.00 H new ATOM 0 HE1 PHE A 43 7.311 -3.756 -6.524 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.795 -5.971 -7.582 1.00 0.00 H new ATOM 0 HZ PHE A 43 6.201 -5.474 -7.887 1.00 0.00 H new ATOM 508 N ILE A 44 3.060 -2.483 -0.916 1.00 0.00 N ATOM 509 CA ILE A 44 2.284 -2.079 0.252 1.00 0.00 C ATOM 510 C ILE A 44 3.081 -1.106 1.114 1.00 0.00 C ATOM 511 O ILE A 44 2.530 -0.150 1.660 1.00 0.00 O ATOM 512 CB ILE A 44 1.812 -3.363 1.129 1.00 0.00 C ATOM 513 CG1 ILE A 44 0.512 -4.078 0.477 1.00 0.00 C ATOM 514 CG2 ILE A 44 1.601 -3.052 2.679 1.00 0.00 C ATOM 515 CD1 ILE A 44 -0.164 -5.116 1.436 1.00 0.00 C ATOM 0 H ILE A 44 3.247 -3.484 -0.978 1.00 0.00 H new ATOM 0 HA ILE A 44 1.386 -1.575 -0.106 1.00 0.00 H new ATOM 0 HB ILE A 44 2.644 -4.066 1.090 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -0.217 -3.315 0.205 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.805 -4.581 -0.445 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.287 -3.960 3.193 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.537 -2.697 3.110 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.835 -2.286 2.795 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.028 -5.560 0.941 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.552 -5.899 1.688 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.487 -4.613 2.348 1.00 0.00 H new ATOM 527 N GLN A 45 4.381 -1.356 1.232 1.00 0.00 N ATOM 528 CA GLN A 45 5.245 -0.494 2.031 1.00 0.00 C ATOM 529 C GLN A 45 5.277 0.917 1.453 1.00 0.00 C ATOM 530 O GLN A 45 5.015 1.892 2.157 1.00 0.00 O ATOM 531 CB GLN A 45 6.724 -1.093 2.095 1.00 0.00 C ATOM 532 CG GLN A 45 6.812 -2.427 2.956 1.00 0.00 C ATOM 533 CD GLN A 45 8.243 -3.033 2.929 1.00 0.00 C ATOM 534 OE1 GLN A 45 8.736 -3.421 1.870 1.00 0.00 O ATOM 535 NE2 GLN A 45 8.931 -3.144 4.038 1.00 0.00 N ATOM 0 H GLN A 45 4.857 -2.142 0.789 1.00 0.00 H new ATOM 0 HA GLN A 45 4.840 -0.447 3.042 1.00 0.00 H new ATOM 0 HB2 GLN A 45 7.073 -1.296 1.083 1.00 0.00 H new ATOM 0 HB3 GLN A 45 7.395 -0.347 2.520 1.00 0.00 H new ATOM 0 HG2 GLN A 45 6.525 -2.215 3.986 1.00 0.00 H new ATOM 0 HG3 GLN A 45 6.100 -3.157 2.571 1.00 0.00 H new ATOM 0 HE21 GLN A 45 8.531 -2.825 4.920 1.00 0.00 H new ATOM 0 HE22 GLN A 45 9.867 -3.549 4.019 1.00 0.00 H new ATOM 544 N SER A 46 5.598 1.018 0.167 1.00 0.00 N ATOM 545 CA SER A 46 5.660 2.315 -0.495 1.00 0.00 C ATOM 546 C SER A 46 4.392 3.118 -0.222 1.00 0.00 C ATOM 547 O SER A 46 4.434 4.343 -0.110 1.00 0.00 O ATOM 548 CB SER A 46 5.883 2.093 -2.022 1.00 0.00 C ATOM 549 OG SER A 46 7.166 1.507 -2.217 1.00 0.00 O ATOM 0 H SER A 46 5.818 0.223 -0.433 1.00 0.00 H new ATOM 0 HA SER A 46 6.495 2.893 -0.099 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.106 1.444 -2.427 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.816 3.041 -2.555 1.00 0.00 H new ATOM 0 HG SER A 46 7.119 0.547 -2.027 1.00 0.00 H new ATOM 555 N LEU A 47 3.267 2.419 -0.117 1.00 0.00 N ATOM 556 CA LEU A 47 1.992 3.078 0.143 1.00 0.00 C ATOM 557 C LEU A 47 1.967 3.660 1.553 1.00 0.00 C ATOM 558 O LEU A 47 1.080 4.440 1.897 1.00 0.00 O ATOM 559 CB LEU A 47 0.856 2.017 -0.059 1.00 0.00 C ATOM 560 CG LEU A 47 0.732 1.584 -1.588 1.00 0.00 C ATOM 561 CD1 LEU A 47 -0.176 0.332 -1.770 1.00 0.00 C ATOM 562 CD2 LEU A 47 0.203 2.775 -2.446 1.00 0.00 C ATOM 0 H LEU A 47 3.211 1.405 -0.207 1.00 0.00 H new ATOM 0 HA LEU A 47 1.844 3.911 -0.545 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.062 1.140 0.554 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.094 2.429 0.283 1.00 0.00 H new ATOM 0 HG LEU A 47 1.729 1.311 -1.933 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.231 0.073 -2.827 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.244 -0.506 -1.213 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.177 0.551 -1.397 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.123 2.465 -3.488 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.778 3.078 -2.081 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.894 3.614 -2.369 1.00 0.00 H new ATOM 574 N LYS A 48 2.947 3.275 2.364 1.00 0.00 N ATOM 575 CA LYS A 48 3.027 3.765 3.735 1.00 0.00 C ATOM 576 C LYS A 48 4.138 4.803 3.869 1.00 0.00 C ATOM 577 O LYS A 48 4.078 5.683 4.727 1.00 0.00 O ATOM 578 CB LYS A 48 3.315 2.526 4.694 1.00 0.00 C ATOM 579 CG LYS A 48 3.447 2.941 6.240 1.00 0.00 C ATOM 580 CD LYS A 48 3.698 1.694 7.188 1.00 0.00 C ATOM 581 CE LYS A 48 3.834 2.110 8.706 1.00 0.00 C ATOM 582 NZ LYS A 48 4.042 0.901 9.557 1.00 0.00 N ATOM 0 H LYS A 48 3.691 2.630 2.098 1.00 0.00 H new ATOM 0 HA LYS A 48 2.087 4.243 4.011 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.511 1.797 4.587 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.235 2.035 4.376 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.268 3.650 6.353 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.538 3.454 6.554 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.875 0.987 7.080 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.605 1.178 6.873 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.671 2.798 8.828 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.937 2.639 9.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.484 0.991 10.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.737 0.054 9.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.050 0.815 9.798 1.00 0.00 H new ATOM 596 N ASP A 49 5.274 4.572 3.157 1.00 0.00 N ATOM 597 CA ASP A 49 6.571 5.298 3.420 1.00 0.00 C ATOM 598 C ASP A 49 6.641 6.854 3.271 1.00 0.00 C ATOM 599 O ASP A 49 7.632 7.461 3.732 1.00 0.00 O ATOM 600 CB ASP A 49 7.696 4.642 2.514 1.00 0.00 C ATOM 601 CG ASP A 49 8.054 3.190 2.958 1.00 0.00 C ATOM 602 OD1 ASP A 49 7.666 2.777 4.049 1.00 0.00 O ATOM 603 OD2 ASP A 49 8.705 2.506 2.184 1.00 0.00 O ATOM 0 H ASP A 49 5.329 3.894 2.397 1.00 0.00 H new ATOM 0 HA ASP A 49 6.706 5.170 4.494 1.00 0.00 H new ATOM 0 HB2 ASP A 49 7.360 4.628 1.477 1.00 0.00 H new ATOM 0 HB3 ASP A 49 8.593 5.260 2.550 1.00 0.00 H new ATOM 608 N ASP A 50 5.657 7.486 2.655 1.00 0.00 N ATOM 609 CA ASP A 50 5.680 8.976 2.425 1.00 0.00 C ATOM 610 C ASP A 50 5.699 9.837 3.768 1.00 0.00 C ATOM 611 O ASP A 50 6.468 10.791 3.857 1.00 0.00 O ATOM 612 CB ASP A 50 4.427 9.348 1.595 1.00 0.00 C ATOM 613 CG ASP A 50 4.327 10.853 1.229 1.00 0.00 C ATOM 614 OD1 ASP A 50 5.142 11.627 1.698 1.00 0.00 O ATOM 615 OD2 ASP A 50 3.421 11.208 0.488 1.00 0.00 O ATOM 0 H ASP A 50 4.823 7.021 2.296 1.00 0.00 H new ATOM 0 HA ASP A 50 6.607 9.213 1.902 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.427 8.762 0.676 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.537 9.062 2.155 1.00 0.00 H new ATOM 620 N SER A 51 4.879 9.467 4.804 1.00 0.00 N ATOM 621 CA SER A 51 4.809 10.182 6.164 1.00 0.00 C ATOM 622 C SER A 51 4.285 9.117 7.228 1.00 0.00 C ATOM 623 O SER A 51 3.783 8.123 6.778 1.00 0.00 O ATOM 624 CB SER A 51 3.877 11.430 6.074 1.00 0.00 C ATOM 625 OG SER A 51 2.614 11.040 5.545 1.00 0.00 O ATOM 0 H SER A 51 4.244 8.672 4.740 1.00 0.00 H new ATOM 0 HA SER A 51 5.788 10.552 6.469 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.749 11.874 7.061 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.330 12.191 5.439 1.00 0.00 H new ATOM 0 HG SER A 51 2.149 11.828 5.193 1.00 0.00 H new ATOM 631 N TYR A 52 4.472 9.247 8.612 1.00 0.00 N ATOM 632 CA TYR A 52 4.088 8.106 9.604 1.00 0.00 C ATOM 633 C TYR A 52 3.196 8.400 10.969 1.00 0.00 C ATOM 634 O TYR A 52 3.488 9.426 11.579 1.00 0.00 O ATOM 635 CB TYR A 52 5.510 7.632 10.101 1.00 0.00 C ATOM 636 CG TYR A 52 6.403 7.131 8.905 1.00 0.00 C ATOM 637 CD1 TYR A 52 6.370 5.775 8.486 1.00 0.00 C ATOM 638 CD2 TYR A 52 7.275 8.033 8.216 1.00 0.00 C ATOM 639 CE1 TYR A 52 7.188 5.344 7.417 1.00 0.00 C ATOM 640 CE2 TYR A 52 8.076 7.588 7.154 1.00 0.00 C ATOM 641 CZ TYR A 52 8.036 6.252 6.758 1.00 0.00 C ATOM 642 OH TYR A 52 8.839 5.826 5.710 1.00 0.00 O ATOM 0 H TYR A 52 4.863 10.077 9.057 1.00 0.00 H new ATOM 0 HA TYR A 52 3.423 7.440 9.054 1.00 0.00 H new ATOM 0 HB2 TYR A 52 6.011 8.455 10.611 1.00 0.00 H new ATOM 0 HB3 TYR A 52 5.393 6.830 10.830 1.00 0.00 H new ATOM 0 HD1 TYR A 52 5.719 5.072 8.985 1.00 0.00 H new ATOM 0 HD2 TYR A 52 7.317 9.069 8.518 1.00 0.00 H new ATOM 0 HE1 TYR A 52 7.162 4.311 7.104 1.00 0.00 H new ATOM 0 HE2 TYR A 52 8.726 8.282 6.642 1.00 0.00 H new ATOM 0 HH TYR A 52 8.598 6.313 4.894 1.00 0.00 H new ATOM 652 N ILE A 53 1.990 7.683 11.482 1.00 0.00 N ATOM 653 CA ILE A 53 1.407 8.343 12.576 1.00 0.00 C ATOM 654 C ILE A 53 0.832 7.363 13.558 1.00 0.00 C ATOM 655 O ILE A 53 -0.090 6.611 13.255 1.00 0.00 O ATOM 656 CB ILE A 53 0.274 9.312 12.132 1.00 0.00 C ATOM 657 CG1 ILE A 53 -0.333 10.067 13.332 1.00 0.00 C ATOM 658 CG2 ILE A 53 -0.798 8.580 11.318 1.00 0.00 C ATOM 659 CD1 ILE A 53 -1.233 11.226 12.921 1.00 0.00 C ATOM 0 H ILE A 53 1.568 6.818 11.145 1.00 0.00 H new ATOM 0 HA ILE A 53 2.206 8.916 13.047 1.00 0.00 H new ATOM 0 HB ILE A 53 0.722 10.061 11.479 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.907 9.368 13.940 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.473 10.447 13.959 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.575 9.285 11.023 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.345 8.146 10.427 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.238 7.788 11.924 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.627 11.714 13.812 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.657 11.945 12.338 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.059 10.849 12.318 1.00 0.00 H new ATOM 671 N ASP A 54 1.314 7.338 14.845 1.00 0.00 N ATOM 672 CA ASP A 54 0.821 6.423 15.840 1.00 0.00 C ATOM 673 C ASP A 54 -0.518 6.841 16.373 1.00 0.00 C ATOM 674 O ASP A 54 -0.681 7.207 17.539 1.00 0.00 O ATOM 675 CB ASP A 54 1.821 6.336 16.991 1.00 0.00 C ATOM 676 CG ASP A 54 1.138 5.775 18.233 1.00 0.00 C ATOM 677 OD1 ASP A 54 0.316 4.886 18.080 1.00 0.00 O ATOM 678 OD2 ASP A 54 1.445 6.242 19.319 1.00 0.00 O ATOM 0 H ASP A 54 2.048 7.960 15.182 1.00 0.00 H new ATOM 0 HA ASP A 54 0.702 5.449 15.366 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.659 5.700 16.708 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.229 7.324 17.205 1.00 0.00 H new ATOM 683 N THR A 55 -1.558 6.775 15.503 1.00 0.00 N ATOM 684 CA THR A 55 -2.928 7.103 15.879 1.00 0.00 C ATOM 685 C THR A 55 -3.488 6.542 17.145 1.00 0.00 C ATOM 686 O THR A 55 -4.147 7.233 17.920 1.00 0.00 O ATOM 687 CB THR A 55 -3.918 6.870 14.733 1.00 0.00 C ATOM 688 OG1 THR A 55 -4.159 5.477 14.593 1.00 0.00 O ATOM 689 CG2 THR A 55 -3.333 7.422 13.432 1.00 0.00 C ATOM 0 H THR A 55 -1.455 6.492 14.528 1.00 0.00 H new ATOM 0 HA THR A 55 -2.813 8.164 16.102 1.00 0.00 H new ATOM 0 HB THR A 55 -4.856 7.380 14.953 1.00 0.00 H new ATOM 0 HG21 THR A 55 -4.038 7.256 12.617 1.00 0.00 H new ATOM 0 HG22 THR A 55 -3.149 8.491 13.541 1.00 0.00 H new ATOM 0 HG23 THR A 55 -2.395 6.913 13.210 1.00 0.00 H new ATOM 697 N ASN A 56 -3.232 5.258 17.370 1.00 0.00 N ATOM 698 CA ASN A 56 -3.744 4.668 18.531 1.00 0.00 C ATOM 699 C ASN A 56 -2.950 4.740 19.824 1.00 0.00 C ATOM 700 O ASN A 56 -3.242 4.220 20.900 1.00 0.00 O ATOM 701 CB ASN A 56 -4.043 3.194 18.252 1.00 0.00 C ATOM 702 CG ASN A 56 -4.685 3.044 16.877 1.00 0.00 C ATOM 703 OD1 ASN A 56 -4.617 1.973 16.274 1.00 0.00 O ATOM 704 ND2 ASN A 56 -5.307 4.059 16.345 1.00 0.00 N ATOM 0 H ASN A 56 -2.685 4.647 16.763 1.00 0.00 H new ATOM 0 HA ASN A 56 -4.616 5.290 18.733 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.122 2.612 18.298 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.709 2.798 19.019 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -5.740 3.967 15.426 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -5.361 4.945 16.848 1.00 0.00 H new ATOM 711 N ASN A 57 -1.863 5.553 19.676 1.00 0.00 N ATOM 712 CA ASN A 57 -0.947 5.845 20.826 1.00 0.00 C ATOM 713 C ASN A 57 -0.421 4.613 21.551 1.00 0.00 C ATOM 714 O ASN A 57 -0.456 4.635 22.783 1.00 0.00 O ATOM 715 CB ASN A 57 -1.698 6.790 21.768 1.00 0.00 C ATOM 716 CG ASN A 57 -0.723 7.771 22.406 1.00 0.00 C ATOM 717 OD1 ASN A 57 -0.796 8.028 23.608 1.00 0.00 O ATOM 718 ND2 ASN A 57 0.189 8.344 21.668 1.00 0.00 N ATOM 0 H ASN A 57 -1.603 6.007 18.800 1.00 0.00 H new ATOM 0 HA ASN A 57 -0.040 6.308 20.437 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -2.465 7.333 21.216 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -2.208 6.216 22.542 1.00 0.00 H new ATOM 0 HD21 ASN A 57 0.842 9.006 22.087 1.00 0.00 H new ATOM 0 HD22 ASN A 57 0.248 8.130 20.672 1.00 0.00 H new ATOM 725 N ASP A 58 0.167 3.649 20.837 1.00 0.00 N ATOM 726 CA ASP A 58 0.682 2.516 21.544 1.00 0.00 C ATOM 727 C ASP A 58 2.185 2.288 21.366 1.00 0.00 C ATOM 728 O ASP A 58 2.738 1.267 21.775 1.00 0.00 O ATOM 729 CB ASP A 58 -0.021 1.200 21.201 1.00 0.00 C ATOM 730 CG ASP A 58 0.017 0.966 19.696 1.00 0.00 C ATOM 731 OD1 ASP A 58 1.048 0.534 19.210 1.00 0.00 O ATOM 732 OD2 ASP A 58 -0.987 1.220 19.052 1.00 0.00 O ATOM 0 H ASP A 58 0.286 3.642 19.824 1.00 0.00 H new ATOM 0 HA ASP A 58 0.480 2.786 22.581 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.465 0.373 21.718 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.054 1.229 21.547 1.00 0.00 H new ATOM 737 N GLY A 59 2.847 3.279 20.753 1.00 0.00 N ATOM 738 CA GLY A 59 4.265 3.085 20.561 1.00 0.00 C ATOM 739 C GLY A 59 4.717 2.388 19.293 1.00 0.00 C ATOM 740 O GLY A 59 5.905 2.191 19.056 1.00 0.00 O ATOM 0 H GLY A 59 2.451 4.154 20.410 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.745 4.063 20.595 1.00 0.00 H new ATOM 0 HA3 GLY A 59 4.643 2.515 21.410 1.00 0.00 H new ATOM 744 N ALA A 60 3.737 1.914 18.487 1.00 0.00 N ATOM 745 CA ALA A 60 4.007 1.205 17.300 1.00 0.00 C ATOM 746 C ALA A 60 3.192 1.719 16.113 1.00 0.00 C ATOM 747 O ALA A 60 2.173 2.376 16.331 1.00 0.00 O ATOM 748 CB ALA A 60 3.781 -0.304 17.402 1.00 0.00 C ATOM 0 H ALA A 60 2.743 2.035 18.680 1.00 0.00 H new ATOM 0 HA ALA A 60 5.070 1.384 17.138 1.00 0.00 H new ATOM 0 HB1 ALA A 60 4.012 -0.772 16.445 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.430 -0.718 18.174 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.740 -0.499 17.660 1.00 0.00 H new ATOM 754 N TYR A 61 3.626 1.458 14.875 1.00 0.00 N ATOM 755 CA TYR A 61 2.892 1.870 13.677 1.00 0.00 C ATOM 756 C TYR A 61 2.363 0.509 13.185 1.00 0.00 C ATOM 757 O TYR A 61 3.123 -0.363 12.760 1.00 0.00 O ATOM 758 CB TYR A 61 3.886 2.433 12.661 1.00 0.00 C ATOM 759 CG TYR A 61 4.594 3.627 13.255 1.00 0.00 C ATOM 760 CD1 TYR A 61 3.853 4.652 13.852 1.00 0.00 C ATOM 761 CD2 TYR A 61 5.991 3.709 13.208 1.00 0.00 C ATOM 762 CE1 TYR A 61 4.508 5.760 14.403 1.00 0.00 C ATOM 763 CE2 TYR A 61 6.647 4.815 13.760 1.00 0.00 C ATOM 764 CZ TYR A 61 5.905 5.842 14.358 1.00 0.00 C ATOM 765 OH TYR A 61 6.551 6.932 14.903 1.00 0.00 O ATOM 0 H TYR A 61 4.492 0.957 14.677 1.00 0.00 H new ATOM 0 HA TYR A 61 2.124 2.627 13.834 1.00 0.00 H new ATOM 0 HB2 TYR A 61 4.611 1.668 12.384 1.00 0.00 H new ATOM 0 HB3 TYR A 61 3.365 2.723 11.749 1.00 0.00 H new ATOM 0 HD1 TYR A 61 2.775 4.589 13.888 1.00 0.00 H new ATOM 0 HD2 TYR A 61 6.563 2.918 12.745 1.00 0.00 H new ATOM 0 HE1 TYR A 61 3.935 6.552 14.863 1.00 0.00 H new ATOM 0 HE2 TYR A 61 7.725 4.877 13.725 1.00 0.00 H new ATOM 0 HH TYR A 61 7.519 6.830 14.788 1.00 0.00 H new ATOM 775 N GLU A 62 1.003 0.405 13.173 1.00 0.00 N ATOM 776 CA GLU A 62 0.432 -0.867 12.737 1.00 0.00 C ATOM 777 C GLU A 62 -0.978 -0.724 12.147 1.00 0.00 C ATOM 778 O GLU A 62 -1.626 0.319 12.230 1.00 0.00 O ATOM 779 CB GLU A 62 0.346 -1.814 13.936 1.00 0.00 C ATOM 780 CG GLU A 62 -0.862 -1.440 14.795 1.00 0.00 C ATOM 781 CD GLU A 62 -1.017 0.076 14.846 1.00 0.00 C ATOM 782 OE1 GLU A 62 -0.144 0.722 15.406 1.00 0.00 O ATOM 783 OE2 GLU A 62 -2.003 0.570 14.325 1.00 0.00 O ATOM 0 H GLU A 62 0.341 1.133 13.440 1.00 0.00 H new ATOM 0 HA GLU A 62 1.086 -1.254 11.955 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.257 -2.845 13.593 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.259 -1.753 14.528 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.765 -1.892 14.384 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.738 -1.835 15.803 1.00 0.00 H new ATOM 790 N GLY A 63 -1.454 -1.804 11.564 1.00 0.00 N ATOM 791 CA GLY A 63 -2.749 -1.858 10.964 1.00 0.00 C ATOM 792 C GLY A 63 -3.260 -0.668 10.188 1.00 0.00 C ATOM 793 O GLY A 63 -2.637 -0.269 9.204 1.00 0.00 O ATOM 0 H GLY A 63 -0.934 -2.679 11.498 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -2.762 -2.716 10.292 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -3.468 -2.064 11.757 1.00 0.00 H new ATOM 797 N ASP A 64 -4.383 -0.106 10.650 1.00 0.00 N ATOM 798 CA ASP A 64 -4.967 1.050 9.933 1.00 0.00 C ATOM 799 C ASP A 64 -4.041 2.264 9.946 1.00 0.00 C ATOM 800 O ASP A 64 -4.304 3.174 9.162 1.00 0.00 O ATOM 801 CB ASP A 64 -6.301 1.425 10.582 1.00 0.00 C ATOM 802 CG ASP A 64 -6.842 2.707 9.957 1.00 0.00 C ATOM 803 OD1 ASP A 64 -6.776 2.827 8.745 1.00 0.00 O ATOM 804 OD2 ASP A 64 -7.313 3.551 10.701 1.00 0.00 O ATOM 0 H ASP A 64 -4.893 -0.410 11.480 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.113 0.756 8.894 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -7.019 0.615 10.451 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.167 1.562 11.655 1.00 0.00 H new ATOM 809 N GLU A 65 -2.970 2.198 10.698 1.00 0.00 N ATOM 810 CA GLU A 65 -2.067 3.306 10.674 1.00 0.00 C ATOM 811 C GLU A 65 -1.125 3.199 9.457 1.00 0.00 C ATOM 812 O GLU A 65 -0.334 4.097 9.152 1.00 0.00 O ATOM 813 CB GLU A 65 -1.214 3.216 11.965 1.00 0.00 C ATOM 814 CG GLU A 65 -1.881 4.097 13.088 1.00 0.00 C ATOM 815 CD GLU A 65 -2.886 3.395 14.035 1.00 0.00 C ATOM 816 OE1 GLU A 65 -2.709 2.255 14.336 1.00 0.00 O ATOM 817 OE2 GLU A 65 -3.805 4.066 14.494 1.00 0.00 O ATOM 0 H GLU A 65 -2.714 1.421 11.308 1.00 0.00 H new ATOM 0 HA GLU A 65 -2.617 4.245 10.611 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.140 2.180 12.295 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.199 3.562 11.770 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -1.086 4.526 13.698 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.396 4.927 12.605 1.00 0.00 H new ATOM 824 N LEU A 66 -1.202 2.014 8.709 1.00 0.00 N ATOM 825 CA LEU A 66 -0.351 1.738 7.498 1.00 0.00 C ATOM 826 C LEU A 66 -0.446 2.690 6.186 1.00 0.00 C ATOM 827 O LEU A 66 0.565 2.890 5.610 1.00 0.00 O ATOM 828 CB LEU A 66 -0.367 0.173 7.116 1.00 0.00 C ATOM 829 CG LEU A 66 0.693 -0.715 7.982 1.00 0.00 C ATOM 830 CD1 LEU A 66 0.525 -0.568 9.504 1.00 0.00 C ATOM 831 CD2 LEU A 66 0.672 -2.249 7.595 1.00 0.00 C ATOM 0 H LEU A 66 -1.844 1.255 8.937 1.00 0.00 H new ATOM 0 HA LEU A 66 0.626 2.049 7.869 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.371 -0.221 7.270 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.141 0.063 6.055 1.00 0.00 H new ATOM 0 HG LEU A 66 1.664 -0.300 7.713 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.264 -1.187 10.013 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.669 0.475 9.787 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.477 -0.887 9.792 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.398 -2.788 8.204 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.324 -2.655 7.772 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.928 -2.362 6.541 1.00 0.00 H new ATOM 843 N SER A 67 -1.619 3.193 5.634 1.00 0.00 N ATOM 844 CA SER A 67 -1.656 3.996 4.263 1.00 0.00 C ATOM 845 C SER A 67 -1.350 5.566 4.345 1.00 0.00 C ATOM 846 O SER A 67 -1.198 6.083 5.434 1.00 0.00 O ATOM 847 CB SER A 67 -3.081 3.763 3.645 1.00 0.00 C ATOM 848 OG SER A 67 -3.267 4.543 2.467 1.00 0.00 O ATOM 0 H SER A 67 -2.535 3.082 6.070 1.00 0.00 H new ATOM 0 HA SER A 67 -0.840 3.612 3.651 1.00 0.00 H new ATOM 0 HB2 SER A 67 -3.209 2.707 3.409 1.00 0.00 H new ATOM 0 HB3 SER A 67 -3.845 4.020 4.379 1.00 0.00 H new ATOM 0 HG SER A 67 -4.161 4.377 2.103 1.00 0.00 H new ATOM 854 N GLY A 68 -1.205 6.318 3.160 1.00 0.00 N ATOM 855 CA GLY A 68 -0.881 7.816 3.164 1.00 0.00 C ATOM 856 C GLY A 68 0.357 8.149 2.332 1.00 0.00 C ATOM 857 O GLY A 68 1.390 8.517 2.902 1.00 0.00 O ATOM 0 H GLY A 68 -1.305 5.919 2.226 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.736 8.370 2.776 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -0.725 8.148 4.190 1.00 0.00 H new ATOM 861 N SER A 69 0.255 7.960 0.995 1.00 0.00 N ATOM 862 CA SER A 69 1.377 8.187 0.042 1.00 0.00 C ATOM 863 C SER A 69 0.842 8.440 -1.362 1.00 0.00 C ATOM 864 O SER A 69 -0.291 8.148 -1.618 1.00 0.00 O ATOM 865 CB SER A 69 2.309 6.933 0.022 1.00 0.00 C ATOM 866 OG SER A 69 1.508 5.812 -0.263 1.00 0.00 O ATOM 0 H SER A 69 -0.604 7.646 0.543 1.00 0.00 H new ATOM 0 HA SER A 69 1.940 9.061 0.368 1.00 0.00 H new ATOM 0 HB2 SER A 69 3.089 7.048 -0.731 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.809 6.812 0.983 1.00 0.00 H new ATOM 0 HG SER A 69 1.043 5.527 0.551 1.00 0.00 H new ATOM 872 N GLN A 70 1.722 8.911 -2.278 1.00 0.00 N ATOM 873 CA GLN A 70 1.433 9.152 -3.742 1.00 0.00 C ATOM 874 C GLN A 70 0.952 7.820 -4.412 1.00 0.00 C ATOM 875 O GLN A 70 1.591 7.306 -5.342 1.00 0.00 O ATOM 876 CB GLN A 70 2.738 9.647 -4.475 1.00 0.00 C ATOM 877 CG GLN A 70 3.214 11.067 -3.986 1.00 0.00 C ATOM 878 CD GLN A 70 4.536 11.500 -4.679 1.00 0.00 C ATOM 879 OE1 GLN A 70 5.052 10.806 -5.563 1.00 0.00 O ATOM 880 NE2 GLN A 70 5.108 12.615 -4.322 1.00 0.00 N ATOM 0 H GLN A 70 2.683 9.145 -2.028 1.00 0.00 H new ATOM 0 HA GLN A 70 0.656 9.912 -3.825 1.00 0.00 H new ATOM 0 HB2 GLN A 70 3.537 8.925 -4.310 1.00 0.00 H new ATOM 0 HB3 GLN A 70 2.555 9.681 -5.549 1.00 0.00 H new ATOM 0 HG2 GLN A 70 2.437 11.803 -4.193 1.00 0.00 H new ATOM 0 HG3 GLN A 70 3.358 11.051 -2.906 1.00 0.00 H new ATOM 0 HE21 GLN A 70 4.689 13.193 -3.594 1.00 0.00 H new ATOM 0 HE22 GLN A 70 5.975 12.910 -4.771 1.00 0.00 H new ATOM 889 N SER A 71 -0.052 7.176 -3.807 1.00 0.00 N ATOM 890 CA SER A 71 -0.513 5.830 -4.181 1.00 0.00 C ATOM 891 C SER A 71 -0.944 5.662 -5.630 1.00 0.00 C ATOM 892 O SER A 71 -0.909 4.538 -6.127 1.00 0.00 O ATOM 893 CB SER A 71 -1.711 5.451 -3.285 1.00 0.00 C ATOM 894 OG SER A 71 -2.804 6.301 -3.586 1.00 0.00 O ATOM 0 H SER A 71 -0.577 7.580 -3.031 1.00 0.00 H new ATOM 0 HA SER A 71 0.353 5.182 -4.044 1.00 0.00 H new ATOM 0 HB2 SER A 71 -1.988 4.410 -3.449 1.00 0.00 H new ATOM 0 HB3 SER A 71 -1.439 5.546 -2.234 1.00 0.00 H new ATOM 0 HG SER A 71 -2.643 7.189 -3.204 1.00 0.00 H new ATOM 900 N ALA A 72 -1.369 6.736 -6.298 1.00 0.00 N ATOM 901 CA ALA A 72 -1.834 6.625 -7.699 1.00 0.00 C ATOM 902 C ALA A 72 -0.718 5.984 -8.573 1.00 0.00 C ATOM 903 O ALA A 72 -0.998 5.099 -9.392 1.00 0.00 O ATOM 904 CB ALA A 72 -2.192 8.057 -8.245 1.00 0.00 C ATOM 0 H ALA A 72 -1.404 7.678 -5.909 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.721 5.993 -7.741 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -2.535 7.978 -9.277 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.981 8.493 -7.633 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -1.308 8.693 -8.204 1.00 0.00 H new ATOM 910 N ASN A 73 0.534 6.472 -8.420 1.00 0.00 N ATOM 911 CA ASN A 73 1.660 5.974 -9.200 1.00 0.00 C ATOM 912 C ASN A 73 1.953 4.518 -8.850 1.00 0.00 C ATOM 913 O ASN A 73 2.116 3.677 -9.734 1.00 0.00 O ATOM 914 CB ASN A 73 2.918 6.883 -8.931 1.00 0.00 C ATOM 915 CG ASN A 73 2.824 8.234 -9.696 1.00 0.00 C ATOM 916 OD1 ASN A 73 2.048 8.382 -10.647 1.00 0.00 O ATOM 917 ND2 ASN A 73 3.569 9.239 -9.329 1.00 0.00 N ATOM 0 H ASN A 73 0.777 7.211 -7.760 1.00 0.00 H new ATOM 0 HA ASN A 73 1.413 6.014 -10.261 1.00 0.00 H new ATOM 0 HB2 ASN A 73 3.006 7.075 -7.862 1.00 0.00 H new ATOM 0 HB3 ASN A 73 3.821 6.354 -9.235 1.00 0.00 H new ATOM 0 HD21 ASN A 73 3.506 10.128 -9.824 1.00 0.00 H new ATOM 0 HD22 ASN A 73 4.215 9.136 -8.547 1.00 0.00 H new ATOM 924 N LEU A 74 2.018 4.229 -7.554 1.00 0.00 N ATOM 925 CA LEU A 74 2.291 2.871 -7.098 1.00 0.00 C ATOM 926 C LEU A 74 1.206 1.915 -7.583 1.00 0.00 C ATOM 927 O LEU A 74 1.498 0.810 -8.041 1.00 0.00 O ATOM 928 CB LEU A 74 2.385 2.823 -5.540 1.00 0.00 C ATOM 929 CG LEU A 74 2.827 1.388 -4.956 1.00 0.00 C ATOM 930 CD1 LEU A 74 1.630 0.391 -4.875 1.00 0.00 C ATOM 931 CD2 LEU A 74 4.048 0.743 -5.756 1.00 0.00 C ATOM 0 H LEU A 74 1.887 4.911 -6.807 1.00 0.00 H new ATOM 0 HA LEU A 74 3.248 2.559 -7.517 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.099 3.576 -5.206 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.416 3.093 -5.119 1.00 0.00 H new ATOM 0 HG LEU A 74 3.173 1.579 -3.940 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.977 -0.562 -4.476 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.860 0.800 -4.221 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.216 0.238 -5.872 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.301 -0.222 -5.317 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.766 0.604 -6.800 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.912 1.406 -5.698 1.00 0.00 H new ATOM 943 N LEU A 75 -0.046 2.347 -7.479 1.00 0.00 N ATOM 944 CA LEU A 75 -1.168 1.521 -7.911 1.00 0.00 C ATOM 945 C LEU A 75 -1.015 1.136 -9.378 1.00 0.00 C ATOM 946 O LEU A 75 -1.050 -0.044 -9.727 1.00 0.00 O ATOM 947 CB LEU A 75 -2.521 2.318 -7.755 1.00 0.00 C ATOM 948 CG LEU A 75 -3.784 1.642 -8.526 1.00 0.00 C ATOM 949 CD1 LEU A 75 -4.140 0.213 -8.012 1.00 0.00 C ATOM 950 CD2 LEU A 75 -5.061 2.584 -8.471 1.00 0.00 C ATOM 0 H LEU A 75 -0.309 3.258 -7.102 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.181 0.625 -7.290 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.760 2.403 -6.695 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.379 3.331 -8.132 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.467 1.527 -9.563 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.991 -0.174 -8.572 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.284 -0.447 -8.151 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.394 0.260 -6.953 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.889 2.106 -8.994 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.341 2.758 -7.432 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.831 3.536 -8.949 1.00 0.00 H new ATOM 962 N ALA A 76 -0.846 2.139 -10.234 1.00 0.00 N ATOM 963 CA ALA A 76 -0.689 1.893 -11.663 1.00 0.00 C ATOM 964 C ALA A 76 0.512 0.988 -11.922 1.00 0.00 C ATOM 965 O ALA A 76 0.526 0.219 -12.883 1.00 0.00 O ATOM 966 CB ALA A 76 -0.516 3.261 -12.411 1.00 0.00 C ATOM 0 H ALA A 76 -0.814 3.123 -9.966 1.00 0.00 H new ATOM 0 HA ALA A 76 -1.579 1.388 -12.039 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.398 3.079 -13.479 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -1.396 3.881 -12.243 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.367 3.774 -12.031 1.00 0.00 H new ATOM 972 N GLU A 77 1.517 1.085 -11.058 1.00 0.00 N ATOM 973 CA GLU A 77 2.717 0.270 -11.203 1.00 0.00 C ATOM 974 C GLU A 77 2.439 -1.171 -10.789 1.00 0.00 C ATOM 975 O GLU A 77 2.607 -2.098 -11.581 1.00 0.00 O ATOM 976 CB GLU A 77 3.918 0.891 -10.363 1.00 0.00 C ATOM 977 CG GLU A 77 5.292 0.088 -10.546 1.00 0.00 C ATOM 978 CD GLU A 77 6.470 0.721 -9.754 1.00 0.00 C ATOM 979 OE1 GLU A 77 6.349 1.857 -9.319 1.00 0.00 O ATOM 980 OE2 GLU A 77 7.482 0.049 -9.602 1.00 0.00 O ATOM 0 H GLU A 77 1.525 1.715 -10.256 1.00 0.00 H new ATOM 0 HA GLU A 77 3.010 0.265 -12.253 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.067 1.928 -10.665 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.648 0.902 -9.307 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.152 -0.942 -10.218 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.549 0.053 -11.605 1.00 0.00 H new ATOM 987 N ALA A 78 2.013 -1.352 -9.543 1.00 0.00 N ATOM 988 CA ALA A 78 1.714 -2.686 -9.035 1.00 0.00 C ATOM 989 C ALA A 78 0.741 -3.407 -9.962 1.00 0.00 C ATOM 990 O ALA A 78 0.861 -4.611 -10.189 1.00 0.00 O ATOM 991 CB ALA A 78 1.102 -2.571 -7.613 1.00 0.00 C ATOM 0 H ALA A 78 1.868 -0.598 -8.871 1.00 0.00 H new ATOM 0 HA ALA A 78 2.638 -3.262 -8.990 1.00 0.00 H new ATOM 0 HB1 ALA A 78 0.878 -3.567 -7.232 1.00 0.00 H new ATOM 0 HB2 ALA A 78 1.814 -2.080 -6.949 1.00 0.00 H new ATOM 0 HB3 ALA A 78 0.184 -1.985 -7.658 1.00 0.00 H new ATOM 997 N LYS A 79 -0.222 -2.662 -10.496 1.00 0.00 N ATOM 998 CA LYS A 79 -1.210 -3.241 -11.398 1.00 0.00 C ATOM 999 C LYS A 79 -0.558 -3.651 -12.715 1.00 0.00 C ATOM 1000 O LYS A 79 -0.939 -4.652 -13.322 1.00 0.00 O ATOM 1001 CB LYS A 79 -2.377 -2.187 -11.646 1.00 0.00 C ATOM 1002 CG LYS A 79 -3.589 -2.764 -12.530 1.00 0.00 C ATOM 1003 CD LYS A 79 -4.771 -1.700 -12.709 1.00 0.00 C ATOM 1004 CE LYS A 79 -5.975 -2.271 -13.559 1.00 0.00 C ATOM 1005 NZ LYS A 79 -7.050 -1.236 -13.673 1.00 0.00 N ATOM 0 H LYS A 79 -0.339 -1.664 -10.321 1.00 0.00 H new ATOM 0 HA LYS A 79 -1.632 -4.138 -10.944 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.766 -1.856 -10.683 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -1.963 -1.309 -12.142 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -3.214 -3.055 -13.511 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -3.982 -3.665 -12.059 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -5.135 -1.397 -11.727 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -4.380 -0.805 -13.194 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -5.628 -2.559 -14.551 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -6.371 -3.170 -13.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -7.840 -1.616 -14.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -7.389 -0.982 -12.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -6.669 -0.390 -14.142 1.00 0.00 H new ATOM 1019 N LYS A 80 0.425 -2.870 -13.150 1.00 0.00 N ATOM 1020 CA LYS A 80 1.123 -3.161 -14.397 1.00 0.00 C ATOM 1021 C LYS A 80 1.906 -4.465 -14.280 1.00 0.00 C ATOM 1022 O LYS A 80 1.995 -5.235 -15.236 1.00 0.00 O ATOM 1023 CB LYS A 80 2.103 -1.980 -14.831 1.00 0.00 C ATOM 1024 CG LYS A 80 1.325 -0.682 -15.337 1.00 0.00 C ATOM 1025 CD LYS A 80 2.315 0.518 -15.733 1.00 0.00 C ATOM 1026 CE LYS A 80 1.539 1.792 -16.252 1.00 0.00 C ATOM 1027 NZ LYS A 80 2.509 2.874 -16.600 1.00 0.00 N ATOM 0 H LYS A 80 0.755 -2.037 -12.662 1.00 0.00 H new ATOM 0 HA LYS A 80 0.362 -3.261 -15.171 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.737 -1.711 -13.986 1.00 0.00 H new ATOM 0 HB3 LYS A 80 2.762 -2.334 -15.623 1.00 0.00 H new ATOM 0 HG2 LYS A 80 0.714 -0.943 -16.201 1.00 0.00 H new ATOM 0 HG3 LYS A 80 0.645 -0.343 -14.556 1.00 0.00 H new ATOM 0 HD2 LYS A 80 2.916 0.791 -14.866 1.00 0.00 H new ATOM 0 HD3 LYS A 80 3.005 0.177 -16.505 1.00 0.00 H new ATOM 0 HE2 LYS A 80 0.941 1.533 -17.126 1.00 0.00 H new ATOM 0 HE3 LYS A 80 0.848 2.144 -15.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 1.990 3.709 -16.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 3.061 3.130 -15.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 3.152 2.538 -17.345 1.00 0.00 H new ATOM 1041 N LEU A 81 2.472 -4.706 -13.101 1.00 0.00 N ATOM 1042 CA LEU A 81 3.245 -5.921 -12.870 1.00 0.00 C ATOM 1043 C LEU A 81 2.320 -7.125 -12.727 1.00 0.00 C ATOM 1044 O LEU A 81 2.352 -8.046 -13.543 1.00 0.00 O ATOM 1045 CB LEU A 81 4.175 -5.763 -11.586 1.00 0.00 C ATOM 1046 CG LEU A 81 5.373 -4.698 -11.824 1.00 0.00 C ATOM 1047 CD1 LEU A 81 6.126 -4.358 -10.491 1.00 0.00 C ATOM 1048 CD2 LEU A 81 6.422 -5.208 -12.906 1.00 0.00 C ATOM 0 H LEU A 81 2.411 -4.081 -12.297 1.00 0.00 H new ATOM 0 HA LEU A 81 3.889 -6.087 -13.734 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.569 -5.442 -10.738 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.600 -6.733 -11.326 1.00 0.00 H new ATOM 0 HG LEU A 81 4.897 -3.793 -12.201 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.921 -3.641 -10.695 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.424 -3.928 -9.776 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.557 -5.268 -10.074 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.206 -4.462 -13.032 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.864 -6.146 -12.570 1.00 0.00 H new ATOM 0 HD23 LEU A 81 5.915 -5.366 -13.858 1.00 0.00 H new ATOM 1060 N ASN A 82 1.497 -7.111 -11.684 1.00 0.00 N ATOM 1061 CA ASN A 82 0.566 -8.208 -11.443 1.00 0.00 C ATOM 1062 C ASN A 82 -0.072 -8.666 -12.750 1.00 0.00 C ATOM 1063 O ASN A 82 -0.484 -9.818 -12.881 1.00 0.00 O ATOM 1064 CB ASN A 82 -0.551 -7.754 -10.461 1.00 0.00 C ATOM 1065 CG ASN A 82 -1.646 -8.836 -10.331 1.00 0.00 C ATOM 1066 OD1 ASN A 82 -1.379 -9.951 -9.865 1.00 0.00 O ATOM 1067 ND2 ASN A 82 -2.848 -8.581 -10.772 1.00 0.00 N ATOM 0 H ASN A 82 1.455 -6.359 -10.997 1.00 0.00 H new ATOM 0 HA ASN A 82 1.122 -9.038 -11.007 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -0.118 -7.550 -9.482 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -0.995 -6.823 -10.814 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -3.569 -9.301 -10.733 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -3.066 -7.661 -11.156 1.00 0.00 H new ATOM 1074 N ASP A 83 -0.149 -7.756 -13.716 1.00 0.00 N ATOM 1075 CA ASP A 83 -0.739 -8.078 -15.010 1.00 0.00 C ATOM 1076 C ASP A 83 0.328 -8.584 -15.974 1.00 0.00 C ATOM 1077 O ASP A 83 0.073 -9.473 -16.787 1.00 0.00 O ATOM 1078 CB ASP A 83 -1.451 -6.802 -15.602 1.00 0.00 C ATOM 1079 CG ASP A 83 -2.740 -6.426 -14.812 1.00 0.00 C ATOM 1080 OD1 ASP A 83 -3.221 -7.239 -14.031 1.00 0.00 O ATOM 1081 OD2 ASP A 83 -3.229 -5.324 -15.010 1.00 0.00 O ATOM 0 H ASP A 83 0.187 -6.797 -13.628 1.00 0.00 H new ATOM 0 HA ASP A 83 -1.478 -8.868 -14.874 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -0.758 -5.961 -15.584 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -1.707 -6.983 -16.646 1.00 0.00 H new ATOM 1086 N ALA A 84 1.524 -8.013 -15.878 1.00 0.00 N ATOM 1087 CA ALA A 84 2.624 -8.415 -16.747 1.00 0.00 C ATOM 1088 C ALA A 84 3.246 -9.718 -16.257 1.00 0.00 C ATOM 1089 O ALA A 84 3.801 -10.487 -17.042 1.00 0.00 O ATOM 1090 CB ALA A 84 3.720 -7.296 -16.816 1.00 0.00 C ATOM 0 H ALA A 84 1.756 -7.276 -15.212 1.00 0.00 H new ATOM 0 HA ALA A 84 2.220 -8.569 -17.747 1.00 0.00 H new ATOM 0 HB1 ALA A 84 4.530 -7.620 -17.470 1.00 0.00 H new ATOM 0 HB2 ALA A 84 3.280 -6.380 -17.209 1.00 0.00 H new ATOM 0 HB3 ALA A 84 4.113 -7.110 -15.817 1.00 0.00 H new ATOM 1096 N GLN A 85 3.148 -9.960 -14.953 1.00 0.00 N ATOM 1097 CA GLN A 85 3.705 -11.175 -14.368 1.00 0.00 C ATOM 1098 C GLN A 85 2.601 -12.189 -14.088 1.00 0.00 C ATOM 1099 O GLN A 85 2.739 -13.046 -13.215 1.00 0.00 O ATOM 1100 CB GLN A 85 4.484 -10.772 -13.031 1.00 0.00 C ATOM 1101 CG GLN A 85 5.728 -9.809 -13.294 1.00 0.00 C ATOM 1102 CD GLN A 85 6.830 -10.484 -14.149 1.00 0.00 C ATOM 1103 OE1 GLN A 85 7.297 -11.576 -13.812 1.00 0.00 O ATOM 1104 NE2 GLN A 85 7.290 -9.889 -15.219 1.00 0.00 N ATOM 0 H GLN A 85 2.692 -9.337 -14.286 1.00 0.00 H new ATOM 0 HA GLN A 85 4.400 -11.647 -15.063 1.00 0.00 H new ATOM 0 HB2 GLN A 85 3.791 -10.281 -12.348 1.00 0.00 H new ATOM 0 HB3 GLN A 85 4.833 -11.678 -12.534 1.00 0.00 H new ATOM 0 HG2 GLN A 85 5.384 -8.906 -13.798 1.00 0.00 H new ATOM 0 HG3 GLN A 85 6.152 -9.499 -12.339 1.00 0.00 H new ATOM 0 HE21 GLN A 85 6.909 -8.987 -15.504 1.00 0.00 H new ATOM 0 HE22 GLN A 85 8.029 -10.327 -15.768 1.00 0.00 H new ATOM 1113 N ALA A 86 1.506 -12.085 -14.833 1.00 0.00 N ATOM 1114 CA ALA A 86 0.383 -12.999 -14.656 1.00 0.00 C ATOM 1115 C ALA A 86 0.397 -14.080 -15.732 1.00 0.00 C ATOM 1116 O ALA A 86 1.067 -13.945 -16.756 1.00 0.00 O ATOM 1117 CB ALA A 86 -0.973 -12.223 -14.732 1.00 0.00 C ATOM 0 H ALA A 86 1.372 -11.382 -15.560 1.00 0.00 H new ATOM 0 HA ALA A 86 0.482 -13.463 -13.675 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -1.800 -12.921 -14.598 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -1.005 -11.468 -13.947 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -1.061 -11.739 -15.705 1.00 0.00 H new ATOM 1123 N PRO A 87 -0.333 -15.242 -15.558 1.00 0.00 N ATOM 1124 CA PRO A 87 -0.354 -16.355 -16.610 1.00 0.00 C ATOM 1125 C PRO A 87 -1.116 -15.934 -17.893 1.00 0.00 C ATOM 1126 O PRO A 87 -2.023 -15.099 -17.824 1.00 0.00 O ATOM 1127 CB PRO A 87 -1.003 -17.565 -15.872 1.00 0.00 C ATOM 1128 CG PRO A 87 -1.935 -16.934 -14.862 1.00 0.00 C ATOM 1129 CD PRO A 87 -1.205 -15.644 -14.378 1.00 0.00 C ATOM 0 HA PRO A 87 0.641 -16.602 -16.980 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -1.545 -18.209 -16.565 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -0.249 -18.184 -15.385 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -2.899 -16.695 -15.312 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -2.130 -17.611 -14.030 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -1.915 -14.858 -14.121 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -0.606 -15.836 -13.488 1.00 0.00 H new ATOM 1137 N LYS A 88 -0.736 -16.536 -19.049 1.00 0.00 N ATOM 1138 CA LYS A 88 -1.377 -16.249 -20.367 1.00 0.00 C ATOM 1139 C LYS A 88 -2.756 -16.969 -20.459 1.00 0.00 C ATOM 1140 O LYS A 88 -3.029 -17.808 -19.612 1.00 0.00 O ATOM 1141 CB LYS A 88 -0.421 -16.728 -21.542 1.00 0.00 C ATOM 1142 CG LYS A 88 0.920 -15.858 -21.618 1.00 0.00 C ATOM 1143 CD LYS A 88 1.898 -16.340 -22.793 1.00 0.00 C ATOM 1144 CE LYS A 88 3.218 -15.474 -22.864 1.00 0.00 C ATOM 1145 NZ LYS A 88 4.096 -15.973 -23.967 1.00 0.00 N ATOM 1146 OXT LYS A 88 -3.506 -16.666 -21.376 1.00 0.00 O ATOM 0 H LYS A 88 0.013 -17.226 -19.099 1.00 0.00 H new ATOM 0 HA LYS A 88 -1.541 -15.176 -20.461 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -0.164 -17.777 -21.395 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -0.952 -16.659 -22.492 1.00 0.00 H new ATOM 0 HG2 LYS A 88 0.661 -14.810 -21.772 1.00 0.00 H new ATOM 0 HG3 LYS A 88 1.444 -15.920 -20.664 1.00 0.00 H new ATOM 0 HD2 LYS A 88 2.160 -17.387 -22.639 1.00 0.00 H new ATOM 0 HD3 LYS A 88 1.374 -16.280 -23.747 1.00 0.00 H new ATOM 0 HE2 LYS A 88 2.967 -14.427 -23.033 1.00 0.00 H new ATOM 0 HE3 LYS A 88 3.749 -15.526 -21.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 4.962 -15.399 -24.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 4.347 -16.966 -23.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 3.590 -15.901 -24.873 1.00 0.00 H new TER 1160 LYS A 88