USER MOD reduce.3.24.130724 H: found=0, std=0, add=985, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 983 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 52 GLN : amide:sc= 1.03 K(o=2.3,f=-2.6) USER MOD Set 1.2: A 116 THR OG1 : rot -125:sc= 1.29 USER MOD Set 2.1: A 94 GLN : amide:sc= 0.686 K(o=-0.8,f=-5.3!) USER MOD Set 2.2: A 98 LYS NZ :NH3+ 123:sc= -1.49 (180deg=-1.87) USER MOD Set 3.1: A 46 ASN : amide:sc= 1.01 K(o=2.2,f=-1.4) USER MOD Set 3.2: A 48 SER OG : rot 100:sc= 1.23 USER MOD Set 4.1: A 35 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 39 GLN : amide:sc= 0 X(o=0,f=0.12) USER MOD Set 5.1: A 28 LYS NZ :NH3+ -161:sc= 0 (180deg=0) USER MOD Set 5.2: A 32 GLN : amide:sc= -1.93 K(o=-1.9,f=-5.1!) USER MOD Single : A 1 GLN : amide:sc= -0.868 K(o=-0.87,f=-2!) USER MOD Single : A 1 GLN N :NH3+ -173:sc= -0.103 (180deg=-0.105) USER MOD Single : A 3 HIS : no HD1:sc= -0.372 X(o=-0.37,f=-0.034) USER MOD Single : A 4 LYS NZ :NH3+ 175:sc= 1.22 (180deg=1.14) USER MOD Single : A 6 LYS NZ :NH3+ 179:sc= 2.25 (180deg=2.22) USER MOD Single : A 7 LYS NZ :NH3+ -160:sc= 2.4 (180deg=1.34) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 HIS : no HD1:sc= -0.777 X(o=-0.78,f=-0.58) USER MOD Single : A 21 GLN :FLIP amide:sc= -0.0997 F(o=-0.8,f=-0.1) USER MOD Single : A 23 ASN : amide:sc= 1.13 K(o=1.1,f=-0.061) USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 37 GLN : amide:sc= 0.339 K(o=0.34,f=-0.37) USER MOD Single : A 38 HIS : no HD1:sc= 0.275 K(o=0.27,f=-3.5!) USER MOD Single : A 44 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 47 LYS NZ :NH3+ -148:sc= 0.0376 (180deg=-0.357) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -164:sc= -0.128 (180deg=-0.477) USER MOD Single : A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl -113:sc= -0.904 (180deg=-1.38) USER MOD Single : A 70 GLN : amide:sc= -0.532 K(o=-0.53,f=-1.8) USER MOD Single : A 78 LYS NZ :NH3+ 175:sc= 0.799 (180deg=0.593) USER MOD Single : A 80 THR OG1 : rot -140:sc= 0 USER MOD Single : A 83 ASN : amide:sc= 0.248 K(o=0.25,f=-1.9!) USER MOD Single : A 89 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 90 TYR OH : rot -158:sc= 0.00516 USER MOD Single : A 95 THR OG1 : rot 71:sc= 1.24 USER MOD Single : A 97 SER OG : rot -80:sc= -0.336 USER MOD Single : A 102 LYS NZ :NH3+ -169:sc= 0.589 (180deg=0.579) USER MOD Single : A 105 LYS NZ :NH3+ -166:sc= -0.0162 (180deg=-0.246) USER MOD Single : A 107 THR OG1 : rot 72:sc= 0.751 USER MOD Single : A 109 GLN : amide:sc= -0.483 K(o=-0.48,f=-4!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 152:sc= 0.476 (180deg=0.176) USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 20.337 -5.648 -10.510 1.00 0.00 N ATOM 2 CA GLN A 1 19.271 -5.599 -11.527 1.00 0.00 C ATOM 3 C GLN A 1 17.896 -5.899 -10.910 1.00 0.00 C ATOM 4 O GLN A 1 16.872 -5.865 -11.598 1.00 0.00 O ATOM 5 CB GLN A 1 19.587 -6.578 -12.684 1.00 0.00 C ATOM 6 CG GLN A 1 18.569 -6.578 -13.822 1.00 0.00 C ATOM 7 CD GLN A 1 18.440 -5.232 -14.509 1.00 0.00 C ATOM 8 OE1 GLN A 1 17.364 -4.865 -14.975 1.00 0.00 O ATOM 9 NE2 GLN A 1 19.531 -4.503 -14.598 1.00 0.00 N ATOM 0 H1 GLN A 1 21.232 -5.326 -10.930 1.00 0.00 H new ATOM 0 H2 GLN A 1 20.086 -5.028 -9.714 1.00 0.00 H new ATOM 0 H3 GLN A 1 20.446 -6.624 -10.168 1.00 0.00 H new ATOM 0 HA GLN A 1 19.233 -4.587 -11.931 1.00 0.00 H new ATOM 0 HB2 GLN A 1 20.567 -6.331 -13.092 1.00 0.00 H new ATOM 0 HB3 GLN A 1 19.656 -7.587 -12.278 1.00 0.00 H new ATOM 0 HG2 GLN A 1 18.857 -7.328 -14.558 1.00 0.00 H new ATOM 0 HG3 GLN A 1 17.596 -6.873 -13.430 1.00 0.00 H new ATOM 0 HE21 GLN A 1 20.406 -4.843 -14.198 1.00 0.00 H new ATOM 0 HE22 GLN A 1 19.503 -3.598 -15.067 1.00 0.00 H new ATOM 18 N GLU A 2 17.864 -6.181 -9.611 1.00 0.00 N ATOM 19 CA GLU A 2 16.604 -6.457 -8.943 1.00 0.00 C ATOM 20 C GLU A 2 15.716 -5.218 -8.976 1.00 0.00 C ATOM 21 O GLU A 2 14.593 -5.260 -9.471 1.00 0.00 O ATOM 22 CB GLU A 2 16.841 -6.894 -7.501 1.00 0.00 C ATOM 23 CG GLU A 2 15.655 -7.602 -6.882 1.00 0.00 C ATOM 24 CD GLU A 2 15.269 -8.842 -7.658 1.00 0.00 C ATOM 25 OE1 GLU A 2 15.882 -9.906 -7.429 1.00 0.00 O ATOM 26 OE2 GLU A 2 14.352 -8.763 -8.511 1.00 0.00 O ATOM 0 H GLU A 2 18.687 -6.223 -9.009 1.00 0.00 H new ATOM 0 HA GLU A 2 16.104 -7.270 -9.470 1.00 0.00 H new ATOM 0 HB2 GLU A 2 17.707 -7.555 -7.468 1.00 0.00 H new ATOM 0 HB3 GLU A 2 17.086 -6.018 -6.900 1.00 0.00 H new ATOM 0 HG2 GLU A 2 15.892 -7.876 -5.854 1.00 0.00 H new ATOM 0 HG3 GLU A 2 14.806 -6.920 -6.842 1.00 0.00 H new ATOM 33 N HIS A 3 16.241 -4.110 -8.473 1.00 0.00 N ATOM 34 CA HIS A 3 15.497 -2.862 -8.474 1.00 0.00 C ATOM 35 C HIS A 3 15.835 -2.016 -9.703 1.00 0.00 C ATOM 36 O HIS A 3 16.917 -1.444 -9.807 1.00 0.00 O ATOM 37 CB HIS A 3 15.677 -2.073 -7.144 1.00 0.00 C ATOM 38 CG HIS A 3 17.098 -1.807 -6.711 1.00 0.00 C ATOM 39 ND1 HIS A 3 17.700 -2.475 -5.665 1.00 0.00 N ATOM 40 CD2 HIS A 3 18.017 -0.912 -7.152 1.00 0.00 C ATOM 41 CE1 HIS A 3 18.917 -2.002 -5.483 1.00 0.00 C ATOM 42 NE2 HIS A 3 19.135 -1.058 -6.372 1.00 0.00 N ATOM 0 H HIS A 3 17.173 -4.051 -8.062 1.00 0.00 H new ATOM 0 HA HIS A 3 14.438 -3.113 -8.538 1.00 0.00 H new ATOM 0 HB2 HIS A 3 15.164 -1.116 -7.242 1.00 0.00 H new ATOM 0 HB3 HIS A 3 15.175 -2.624 -6.349 1.00 0.00 H new ATOM 0 HD2 HIS A 3 17.891 -0.214 -7.966 1.00 0.00 H new ATOM 0 HE1 HIS A 3 19.617 -2.334 -4.731 1.00 0.00 H new ATOM 0 HE2 HIS A 3 19.997 -0.521 -6.466 1.00 0.00 H new ATOM 51 N LYS A 4 14.910 -2.008 -10.647 1.00 0.00 N ATOM 52 CA LYS A 4 15.034 -1.222 -11.878 1.00 0.00 C ATOM 53 C LYS A 4 15.067 0.284 -11.566 1.00 0.00 C ATOM 54 O LYS A 4 14.756 0.693 -10.438 1.00 0.00 O ATOM 55 CB LYS A 4 13.856 -1.543 -12.830 1.00 0.00 C ATOM 56 CG LYS A 4 14.009 -2.840 -13.628 1.00 0.00 C ATOM 57 CD LYS A 4 14.090 -4.061 -12.728 1.00 0.00 C ATOM 58 CE LYS A 4 14.193 -5.341 -13.537 1.00 0.00 C ATOM 59 NZ LYS A 4 14.376 -6.526 -12.667 1.00 0.00 N ATOM 0 H LYS A 4 14.046 -2.546 -10.588 1.00 0.00 H new ATOM 0 HA LYS A 4 15.972 -1.490 -12.365 1.00 0.00 H new ATOM 0 HB2 LYS A 4 12.939 -1.600 -12.244 1.00 0.00 H new ATOM 0 HB3 LYS A 4 13.736 -0.715 -13.529 1.00 0.00 H new ATOM 0 HG2 LYS A 4 13.164 -2.948 -14.309 1.00 0.00 H new ATOM 0 HG3 LYS A 4 14.908 -2.783 -14.242 1.00 0.00 H new ATOM 0 HD2 LYS A 4 14.955 -3.974 -12.071 1.00 0.00 H new ATOM 0 HD3 LYS A 4 13.208 -4.103 -12.089 1.00 0.00 H new ATOM 0 HE2 LYS A 4 13.292 -5.466 -14.137 1.00 0.00 H new ATOM 0 HE3 LYS A 4 15.030 -5.266 -14.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 14.357 -7.389 -13.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 15.290 -6.458 -12.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 13.609 -6.564 -11.966 1.00 0.00 H new ATOM 73 N PRO A 5 15.476 1.133 -12.556 1.00 0.00 N ATOM 74 CA PRO A 5 15.490 2.593 -12.399 1.00 0.00 C ATOM 75 C PRO A 5 14.164 3.115 -11.845 1.00 0.00 C ATOM 76 O PRO A 5 13.123 2.464 -11.985 1.00 0.00 O ATOM 77 CB PRO A 5 15.721 3.120 -13.831 1.00 0.00 C ATOM 78 CG PRO A 5 15.620 1.921 -14.723 1.00 0.00 C ATOM 79 CD PRO A 5 15.978 0.739 -13.874 1.00 0.00 C ATOM 0 HA PRO A 5 16.253 2.920 -11.693 1.00 0.00 H new ATOM 0 HB2 PRO A 5 14.977 3.870 -14.097 1.00 0.00 H new ATOM 0 HB3 PRO A 5 16.698 3.594 -13.921 1.00 0.00 H new ATOM 0 HG2 PRO A 5 14.613 1.820 -15.127 1.00 0.00 H new ATOM 0 HG3 PRO A 5 16.297 2.010 -15.573 1.00 0.00 H new ATOM 0 HD2 PRO A 5 15.505 -0.176 -14.232 1.00 0.00 H new ATOM 0 HD3 PRO A 5 17.053 0.559 -13.862 1.00 0.00 H new ATOM 87 N LYS A 6 14.179 4.290 -11.263 1.00 0.00 N ATOM 88 CA LYS A 6 12.999 4.792 -10.600 1.00 0.00 C ATOM 89 C LYS A 6 12.177 5.665 -11.529 1.00 0.00 C ATOM 90 O LYS A 6 12.719 6.504 -12.249 1.00 0.00 O ATOM 91 CB LYS A 6 13.391 5.569 -9.343 1.00 0.00 C ATOM 92 CG LYS A 6 12.214 5.986 -8.466 1.00 0.00 C ATOM 93 CD LYS A 6 11.390 4.785 -8.013 1.00 0.00 C ATOM 94 CE LYS A 6 12.254 3.730 -7.334 1.00 0.00 C ATOM 95 NZ LYS A 6 11.436 2.678 -6.696 1.00 0.00 N ATOM 0 H LYS A 6 14.987 4.912 -11.234 1.00 0.00 H new ATOM 0 HA LYS A 6 12.383 3.940 -10.311 1.00 0.00 H new ATOM 0 HB2 LYS A 6 14.071 4.957 -8.750 1.00 0.00 H new ATOM 0 HB3 LYS A 6 13.941 6.462 -9.640 1.00 0.00 H new ATOM 0 HG2 LYS A 6 12.584 6.523 -7.593 1.00 0.00 H new ATOM 0 HG3 LYS A 6 11.576 6.677 -9.018 1.00 0.00 H new ATOM 0 HD2 LYS A 6 10.613 5.116 -7.324 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.887 4.344 -8.873 1.00 0.00 H new ATOM 0 HE2 LYS A 6 12.919 3.277 -8.069 1.00 0.00 H new ATOM 0 HE3 LYS A 6 12.885 4.205 -6.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 12.060 1.970 -6.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 10.831 3.104 -5.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 10.840 2.218 -7.414 1.00 0.00 H new ATOM 109 N LYS A 7 10.871 5.447 -11.522 1.00 0.00 N ATOM 110 CA LYS A 7 9.951 6.239 -12.325 1.00 0.00 C ATOM 111 C LYS A 7 9.969 7.692 -11.855 1.00 0.00 C ATOM 112 O LYS A 7 9.961 8.626 -12.658 1.00 0.00 O ATOM 113 CB LYS A 7 8.526 5.673 -12.211 1.00 0.00 C ATOM 114 CG LYS A 7 7.976 5.681 -10.786 1.00 0.00 C ATOM 115 CD LYS A 7 6.533 5.230 -10.736 1.00 0.00 C ATOM 116 CE LYS A 7 5.939 5.373 -9.337 1.00 0.00 C ATOM 117 NZ LYS A 7 6.845 4.850 -8.283 1.00 0.00 N ATOM 0 H LYS A 7 10.421 4.722 -10.964 1.00 0.00 H new ATOM 0 HA LYS A 7 10.267 6.195 -13.367 1.00 0.00 H new ATOM 0 HB2 LYS A 7 7.861 6.253 -12.851 1.00 0.00 H new ATOM 0 HB3 LYS A 7 8.519 4.650 -12.588 1.00 0.00 H new ATOM 0 HG2 LYS A 7 8.583 5.027 -10.159 1.00 0.00 H new ATOM 0 HG3 LYS A 7 8.057 6.686 -10.371 1.00 0.00 H new ATOM 0 HD2 LYS A 7 5.945 5.817 -11.442 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.467 4.189 -11.054 1.00 0.00 H new ATOM 0 HE2 LYS A 7 5.726 6.424 -9.141 1.00 0.00 H new ATOM 0 HE3 LYS A 7 4.988 4.841 -9.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 6.297 4.651 -7.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 7.296 3.974 -8.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 7.577 5.558 -8.072 1.00 0.00 H new ATOM 131 N ASP A 8 10.006 7.863 -10.547 1.00 0.00 N ATOM 132 CA ASP A 8 10.004 9.170 -9.934 1.00 0.00 C ATOM 133 C ASP A 8 11.410 9.737 -9.923 1.00 0.00 C ATOM 134 O ASP A 8 12.381 9.007 -9.714 1.00 0.00 O ATOM 135 CB ASP A 8 9.462 9.072 -8.508 1.00 0.00 C ATOM 136 CG ASP A 8 8.074 8.484 -8.442 1.00 0.00 C ATOM 137 OD1 ASP A 8 7.097 9.212 -8.721 1.00 0.00 O ATOM 138 OD2 ASP A 8 7.957 7.284 -8.116 1.00 0.00 O ATOM 0 H ASP A 8 10.038 7.092 -9.880 1.00 0.00 H new ATOM 0 HA ASP A 8 9.362 9.836 -10.510 1.00 0.00 H new ATOM 0 HB2 ASP A 8 10.138 8.461 -7.910 1.00 0.00 H new ATOM 0 HB3 ASP A 8 9.451 10.066 -8.061 1.00 0.00 H new ATOM 143 N ASP A 9 11.530 11.027 -10.156 1.00 0.00 N ATOM 144 CA ASP A 9 12.834 11.669 -10.213 1.00 0.00 C ATOM 145 C ASP A 9 13.070 12.526 -8.970 1.00 0.00 C ATOM 146 O ASP A 9 13.707 13.577 -9.036 1.00 0.00 O ATOM 147 CB ASP A 9 12.952 12.516 -11.489 1.00 0.00 C ATOM 148 CG ASP A 9 14.384 12.926 -11.794 1.00 0.00 C ATOM 149 OD1 ASP A 9 15.240 12.030 -11.951 1.00 0.00 O ATOM 150 OD2 ASP A 9 14.656 14.143 -11.901 1.00 0.00 O ATOM 0 H ASP A 9 10.742 11.656 -10.310 1.00 0.00 H new ATOM 0 HA ASP A 9 13.601 10.895 -10.238 1.00 0.00 H new ATOM 0 HB2 ASP A 9 12.553 11.952 -12.332 1.00 0.00 H new ATOM 0 HB3 ASP A 9 12.337 13.410 -11.384 1.00 0.00 H new ATOM 155 N PHE A 10 12.542 12.071 -7.835 1.00 0.00 N ATOM 156 CA PHE A 10 12.710 12.783 -6.569 1.00 0.00 C ATOM 157 C PHE A 10 14.182 12.995 -6.233 1.00 0.00 C ATOM 158 O PHE A 10 15.053 12.261 -6.702 1.00 0.00 O ATOM 159 CB PHE A 10 11.985 12.066 -5.428 1.00 0.00 C ATOM 160 CG PHE A 10 10.632 12.650 -5.135 1.00 0.00 C ATOM 161 CD1 PHE A 10 9.612 12.577 -6.069 1.00 0.00 C ATOM 162 CD2 PHE A 10 10.385 13.283 -3.927 1.00 0.00 C ATOM 163 CE1 PHE A 10 8.371 13.125 -5.805 1.00 0.00 C ATOM 164 CE2 PHE A 10 9.146 13.829 -3.656 1.00 0.00 C ATOM 165 CZ PHE A 10 8.137 13.751 -4.596 1.00 0.00 C ATOM 0 H PHE A 10 11.995 11.213 -7.766 1.00 0.00 H new ATOM 0 HA PHE A 10 12.256 13.767 -6.690 1.00 0.00 H new ATOM 0 HB2 PHE A 10 11.873 11.012 -5.682 1.00 0.00 H new ATOM 0 HB3 PHE A 10 12.598 12.114 -4.528 1.00 0.00 H new ATOM 0 HD1 PHE A 10 9.788 12.086 -7.015 1.00 0.00 H new ATOM 0 HD2 PHE A 10 11.171 13.350 -3.189 1.00 0.00 H new ATOM 0 HE1 PHE A 10 7.585 13.064 -6.543 1.00 0.00 H new ATOM 0 HE2 PHE A 10 8.966 14.317 -2.709 1.00 0.00 H new ATOM 0 HZ PHE A 10 7.168 14.178 -4.386 1.00 0.00 H new ATOM 175 N ARG A 11 14.446 13.983 -5.398 1.00 0.00 N ATOM 176 CA ARG A 11 15.811 14.391 -5.095 1.00 0.00 C ATOM 177 C ARG A 11 15.927 14.810 -3.637 1.00 0.00 C ATOM 178 O ARG A 11 15.078 14.460 -2.819 1.00 0.00 O ATOM 179 CB ARG A 11 16.226 15.550 -6.024 1.00 0.00 C ATOM 180 CG ARG A 11 16.102 15.215 -7.503 1.00 0.00 C ATOM 181 CD ARG A 11 16.312 16.424 -8.390 1.00 0.00 C ATOM 182 NE ARG A 11 15.916 16.144 -9.771 1.00 0.00 N ATOM 183 CZ ARG A 11 16.013 17.006 -10.780 1.00 0.00 C ATOM 184 NH1 ARG A 11 16.548 18.207 -10.590 1.00 0.00 N ATOM 185 NH2 ARG A 11 15.585 16.657 -11.983 1.00 0.00 N ATOM 0 H ARG A 11 13.729 14.523 -4.913 1.00 0.00 H new ATOM 0 HA ARG A 11 16.480 13.547 -5.262 1.00 0.00 H new ATOM 0 HB2 ARG A 11 15.609 16.421 -5.804 1.00 0.00 H new ATOM 0 HB3 ARG A 11 17.258 15.827 -5.807 1.00 0.00 H new ATOM 0 HG2 ARG A 11 16.832 14.448 -7.761 1.00 0.00 H new ATOM 0 HG3 ARG A 11 15.115 14.794 -7.696 1.00 0.00 H new ATOM 0 HD2 ARG A 11 15.733 17.264 -8.006 1.00 0.00 H new ATOM 0 HD3 ARG A 11 17.361 16.720 -8.363 1.00 0.00 H new ATOM 0 HE ARG A 11 15.537 15.219 -9.975 1.00 0.00 H new ATOM 0 HH11 ARG A 11 16.888 18.474 -9.666 1.00 0.00 H new ATOM 0 HH12 ARG A 11 16.619 18.863 -11.368 1.00 0.00 H new ATOM 0 HH21 ARG A 11 15.183 15.731 -12.133 1.00 0.00 H new ATOM 0 HH22 ARG A 11 15.657 17.314 -12.760 1.00 0.00 H new ATOM 199 N ASN A 12 16.957 15.583 -3.322 1.00 0.00 N ATOM 200 CA ASN A 12 17.198 16.054 -1.951 1.00 0.00 C ATOM 201 C ASN A 12 16.301 17.251 -1.610 1.00 0.00 C ATOM 202 O ASN A 12 16.628 18.068 -0.744 1.00 0.00 O ATOM 203 CB ASN A 12 18.673 16.436 -1.776 1.00 0.00 C ATOM 204 CG ASN A 12 19.611 15.260 -1.990 1.00 0.00 C ATOM 205 OD1 ASN A 12 20.029 14.982 -3.113 1.00 0.00 O ATOM 206 ND2 ASN A 12 19.955 14.570 -0.916 1.00 0.00 N ATOM 0 H ASN A 12 17.649 15.904 -3.999 1.00 0.00 H new ATOM 0 HA ASN A 12 16.954 15.241 -1.267 1.00 0.00 H new ATOM 0 HB2 ASN A 12 18.925 17.229 -2.480 1.00 0.00 H new ATOM 0 HB3 ASN A 12 18.824 16.839 -0.774 1.00 0.00 H new ATOM 0 HD21 ASN A 12 20.589 13.775 -1.002 1.00 0.00 H new ATOM 0 HD22 ASN A 12 19.587 14.832 -0.002 1.00 0.00 H new ATOM 213 N GLU A 13 15.171 17.334 -2.289 1.00 0.00 N ATOM 214 CA GLU A 13 14.206 18.396 -2.074 1.00 0.00 C ATOM 215 C GLU A 13 13.109 17.908 -1.144 1.00 0.00 C ATOM 216 O GLU A 13 12.401 16.944 -1.444 1.00 0.00 O ATOM 217 CB GLU A 13 13.623 18.846 -3.411 1.00 0.00 C ATOM 218 CG GLU A 13 14.665 19.439 -4.340 1.00 0.00 C ATOM 219 CD GLU A 13 14.141 19.716 -5.729 1.00 0.00 C ATOM 220 OE1 GLU A 13 13.296 20.616 -5.880 1.00 0.00 O ATOM 221 OE2 GLU A 13 14.585 19.037 -6.680 1.00 0.00 O ATOM 0 H GLU A 13 14.896 16.664 -3.007 1.00 0.00 H new ATOM 0 HA GLU A 13 14.700 19.250 -1.611 1.00 0.00 H new ATOM 0 HB2 GLU A 13 13.150 17.995 -3.900 1.00 0.00 H new ATOM 0 HB3 GLU A 13 12.842 19.585 -3.231 1.00 0.00 H new ATOM 0 HG2 GLU A 13 15.039 20.368 -3.909 1.00 0.00 H new ATOM 0 HG3 GLU A 13 15.511 18.755 -4.408 1.00 0.00 H new ATOM 228 N PHE A 14 12.984 18.571 -0.016 1.00 0.00 N ATOM 229 CA PHE A 14 11.988 18.211 0.971 1.00 0.00 C ATOM 230 C PHE A 14 10.875 19.244 1.039 1.00 0.00 C ATOM 231 O PHE A 14 10.834 20.076 1.944 1.00 0.00 O ATOM 232 CB PHE A 14 12.626 18.009 2.350 1.00 0.00 C ATOM 233 CG PHE A 14 13.511 16.792 2.435 1.00 0.00 C ATOM 234 CD1 PHE A 14 14.844 16.857 2.063 1.00 0.00 C ATOM 235 CD2 PHE A 14 13.004 15.584 2.888 1.00 0.00 C ATOM 236 CE1 PHE A 14 15.656 15.742 2.141 1.00 0.00 C ATOM 237 CE2 PHE A 14 13.811 14.466 2.968 1.00 0.00 C ATOM 238 CZ PHE A 14 15.137 14.543 2.596 1.00 0.00 C ATOM 0 H PHE A 14 13.564 19.369 0.243 1.00 0.00 H new ATOM 0 HA PHE A 14 11.546 17.265 0.659 1.00 0.00 H new ATOM 0 HB2 PHE A 14 13.213 18.892 2.602 1.00 0.00 H new ATOM 0 HB3 PHE A 14 11.837 17.926 3.097 1.00 0.00 H new ATOM 0 HD1 PHE A 14 15.253 17.791 1.708 1.00 0.00 H new ATOM 0 HD2 PHE A 14 11.967 15.516 3.182 1.00 0.00 H new ATOM 0 HE1 PHE A 14 16.693 15.806 1.848 1.00 0.00 H new ATOM 0 HE2 PHE A 14 13.403 13.531 3.322 1.00 0.00 H new ATOM 0 HZ PHE A 14 15.769 13.669 2.660 1.00 0.00 H new ATOM 248 N ASP A 15 9.989 19.206 0.053 1.00 0.00 N ATOM 249 CA ASP A 15 8.836 20.105 0.018 1.00 0.00 C ATOM 250 C ASP A 15 7.825 19.700 1.066 1.00 0.00 C ATOM 251 O ASP A 15 7.104 20.542 1.602 1.00 0.00 O ATOM 252 CB ASP A 15 8.178 20.097 -1.367 1.00 0.00 C ATOM 253 CG ASP A 15 8.939 20.908 -2.385 1.00 0.00 C ATOM 254 OD1 ASP A 15 10.086 20.541 -2.712 1.00 0.00 O ATOM 255 OD2 ASP A 15 8.395 21.930 -2.869 1.00 0.00 O ATOM 0 H ASP A 15 10.044 18.562 -0.736 1.00 0.00 H new ATOM 0 HA ASP A 15 9.188 21.115 0.229 1.00 0.00 H new ATOM 0 HB2 ASP A 15 8.095 19.068 -1.718 1.00 0.00 H new ATOM 0 HB3 ASP A 15 7.164 20.488 -1.284 1.00 0.00 H new ATOM 260 N HIS A 16 7.804 18.393 1.364 1.00 0.00 N ATOM 261 CA HIS A 16 6.890 17.784 2.343 1.00 0.00 C ATOM 262 C HIS A 16 5.464 18.342 2.246 1.00 0.00 C ATOM 263 O HIS A 16 5.000 19.096 3.107 1.00 0.00 O ATOM 264 CB HIS A 16 7.449 17.826 3.802 1.00 0.00 C ATOM 265 CG HIS A 16 7.722 19.197 4.374 1.00 0.00 C ATOM 266 ND1 HIS A 16 6.821 19.876 5.164 1.00 0.00 N ATOM 267 CD2 HIS A 16 8.814 19.998 4.287 1.00 0.00 C ATOM 268 CE1 HIS A 16 7.342 21.028 5.535 1.00 0.00 C ATOM 269 NE2 HIS A 16 8.549 21.128 5.019 1.00 0.00 N ATOM 0 H HIS A 16 8.431 17.718 0.925 1.00 0.00 H new ATOM 0 HA HIS A 16 6.825 16.730 2.074 1.00 0.00 H new ATOM 0 HB2 HIS A 16 6.740 17.318 4.455 1.00 0.00 H new ATOM 0 HB3 HIS A 16 8.376 17.253 3.830 1.00 0.00 H new ATOM 0 HD2 HIS A 16 9.722 19.786 3.743 1.00 0.00 H new ATOM 0 HE1 HIS A 16 6.860 21.767 6.158 1.00 0.00 H new ATOM 0 HE2 HIS A 16 9.184 21.917 5.143 1.00 0.00 H new ATOM 278 N LEU A 17 4.801 17.983 1.165 1.00 0.00 N ATOM 279 CA LEU A 17 3.431 18.387 0.926 1.00 0.00 C ATOM 280 C LEU A 17 2.563 17.161 0.641 1.00 0.00 C ATOM 281 O LEU A 17 2.979 16.027 0.884 1.00 0.00 O ATOM 282 CB LEU A 17 3.356 19.379 -0.243 1.00 0.00 C ATOM 283 CG LEU A 17 3.992 20.745 -0.014 1.00 0.00 C ATOM 284 CD1 LEU A 17 4.086 21.503 -1.326 1.00 0.00 C ATOM 285 CD2 LEU A 17 3.182 21.542 0.995 1.00 0.00 C ATOM 0 H LEU A 17 5.198 17.402 0.427 1.00 0.00 H new ATOM 0 HA LEU A 17 3.055 18.883 1.820 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.832 18.922 -1.110 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.307 19.529 -0.497 1.00 0.00 H new ATOM 0 HG LEU A 17 4.997 20.601 0.383 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.542 22.478 -1.151 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.697 20.938 -2.030 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.087 21.639 -1.740 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.648 22.515 1.149 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.168 21.680 0.620 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.148 21.003 1.942 1.00 0.00 H new ATOM 297 N LEU A 18 1.375 17.403 0.111 1.00 0.00 N ATOM 298 CA LEU A 18 0.390 16.355 -0.151 1.00 0.00 C ATOM 299 C LEU A 18 0.927 15.253 -1.078 1.00 0.00 C ATOM 300 O LEU A 18 0.999 14.083 -0.686 1.00 0.00 O ATOM 301 CB LEU A 18 -0.868 16.979 -0.750 1.00 0.00 C ATOM 302 CG LEU A 18 -1.543 18.049 0.115 1.00 0.00 C ATOM 303 CD1 LEU A 18 -2.587 18.800 -0.686 1.00 0.00 C ATOM 304 CD2 LEU A 18 -2.169 17.423 1.354 1.00 0.00 C ATOM 0 H LEU A 18 1.061 18.337 -0.153 1.00 0.00 H new ATOM 0 HA LEU A 18 0.158 15.878 0.801 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.611 17.422 -1.712 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.589 16.186 -0.946 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.781 18.758 0.438 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.056 19.555 -0.055 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.112 19.284 -1.540 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.345 18.102 -1.040 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.643 18.200 1.954 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.917 16.690 1.053 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.395 16.930 1.943 1.00 0.00 H new ATOM 316 N ILE A 19 1.306 15.625 -2.291 1.00 0.00 N ATOM 317 CA ILE A 19 1.784 14.649 -3.265 1.00 0.00 C ATOM 318 C ILE A 19 3.107 14.040 -2.839 1.00 0.00 C ATOM 319 O ILE A 19 3.342 12.866 -3.057 1.00 0.00 O ATOM 320 CB ILE A 19 1.895 15.252 -4.695 1.00 0.00 C ATOM 321 CG1 ILE A 19 0.499 15.591 -5.222 1.00 0.00 C ATOM 322 CG2 ILE A 19 2.603 14.289 -5.656 1.00 0.00 C ATOM 323 CD1 ILE A 19 -0.422 14.386 -5.307 1.00 0.00 C ATOM 0 H ILE A 19 1.293 16.589 -2.625 1.00 0.00 H new ATOM 0 HA ILE A 19 1.038 13.855 -3.300 1.00 0.00 H new ATOM 0 HB ILE A 19 2.493 16.161 -4.636 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.046 16.341 -4.573 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.591 16.039 -6.211 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.663 14.742 -6.646 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.609 14.083 -5.289 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.041 13.357 -5.717 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.395 14.698 -5.688 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.010 13.644 -5.979 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.543 13.950 -4.315 1.00 0.00 H new ATOM 335 N GLU A 20 3.954 14.836 -2.219 1.00 0.00 N ATOM 336 CA GLU A 20 5.243 14.363 -1.733 1.00 0.00 C ATOM 337 C GLU A 20 5.053 13.193 -0.767 1.00 0.00 C ATOM 338 O GLU A 20 5.750 12.181 -0.856 1.00 0.00 O ATOM 339 CB GLU A 20 6.015 15.499 -1.041 1.00 0.00 C ATOM 340 CG GLU A 20 6.534 16.598 -1.982 1.00 0.00 C ATOM 341 CD GLU A 20 5.434 17.314 -2.753 1.00 0.00 C ATOM 342 OE1 GLU A 20 4.314 17.439 -2.217 1.00 0.00 O ATOM 343 OE2 GLU A 20 5.682 17.736 -3.895 1.00 0.00 O ATOM 0 H GLU A 20 3.774 15.823 -2.036 1.00 0.00 H new ATOM 0 HA GLU A 20 5.824 14.021 -2.590 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.366 15.957 -0.295 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.862 15.069 -0.506 1.00 0.00 H new ATOM 0 HG2 GLU A 20 7.092 17.330 -1.398 1.00 0.00 H new ATOM 0 HG3 GLU A 20 7.234 16.156 -2.691 1.00 0.00 H new ATOM 350 N GLN A 21 4.090 13.327 0.141 1.00 0.00 N ATOM 351 CA GLN A 21 3.801 12.273 1.105 1.00 0.00 C ATOM 352 C GLN A 21 3.205 11.047 0.415 1.00 0.00 C ATOM 353 O GLN A 21 3.549 9.910 0.747 1.00 0.00 O ATOM 354 CB GLN A 21 2.860 12.771 2.207 1.00 0.00 C ATOM 355 CG GLN A 21 3.451 13.880 3.077 1.00 0.00 C ATOM 356 CD GLN A 21 4.721 13.463 3.811 1.00 0.00 C ATOM 357 OE1 GLN A 21 4.812 12.195 4.184 1.00 0.00 O flip ATOM 358 NE2 GLN A 21 5.603 14.282 4.056 1.00 0.00 N flip ATOM 0 H GLN A 21 3.499 14.154 0.228 1.00 0.00 H new ATOM 0 HA GLN A 21 4.745 11.985 1.567 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.941 13.135 1.748 1.00 0.00 H new ATOM 0 HB3 GLN A 21 2.587 11.930 2.845 1.00 0.00 H new ATOM 0 HG2 GLN A 21 3.670 14.745 2.451 1.00 0.00 H new ATOM 0 HG3 GLN A 21 2.705 14.195 3.807 1.00 0.00 H new ATOM 0 HE21 GLN A 21 5.498 15.250 3.753 1.00 0.00 H new ATOM 0 HE22 GLN A 21 6.440 13.994 4.562 1.00 0.00 H new ATOM 367 N ALA A 22 2.322 11.279 -0.560 1.00 0.00 N ATOM 368 CA ALA A 22 1.702 10.184 -1.307 1.00 0.00 C ATOM 369 C ALA A 22 2.732 9.479 -2.164 1.00 0.00 C ATOM 370 O ALA A 22 2.722 8.255 -2.307 1.00 0.00 O ATOM 371 CB ALA A 22 0.574 10.708 -2.182 1.00 0.00 C ATOM 0 H ALA A 22 2.022 12.210 -0.849 1.00 0.00 H new ATOM 0 HA ALA A 22 1.291 9.472 -0.591 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.124 9.880 -2.730 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.182 11.182 -1.556 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.970 11.438 -2.888 1.00 0.00 H new ATOM 377 N ASN A 23 3.628 10.270 -2.724 1.00 0.00 N ATOM 378 CA ASN A 23 4.685 9.764 -3.568 1.00 0.00 C ATOM 379 C ASN A 23 5.634 8.935 -2.741 1.00 0.00 C ATOM 380 O ASN A 23 6.112 7.896 -3.179 1.00 0.00 O ATOM 381 CB ASN A 23 5.440 10.905 -4.245 1.00 0.00 C ATOM 382 CG ASN A 23 6.350 10.412 -5.350 1.00 0.00 C ATOM 383 OD1 ASN A 23 7.506 10.073 -5.115 1.00 0.00 O ATOM 384 ND2 ASN A 23 5.830 10.382 -6.563 1.00 0.00 N ATOM 0 H ASN A 23 3.640 11.283 -2.604 1.00 0.00 H new ATOM 0 HA ASN A 23 4.241 9.145 -4.348 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.725 11.618 -4.656 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.031 11.439 -3.501 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.394 10.067 -7.352 1.00 0.00 H new ATOM 0 HD22 ASN A 23 4.864 10.673 -6.711 1.00 0.00 H new ATOM 391 N HIS A 24 5.884 9.395 -1.521 1.00 0.00 N ATOM 392 CA HIS A 24 6.742 8.677 -0.604 1.00 0.00 C ATOM 393 C HIS A 24 6.122 7.317 -0.289 1.00 0.00 C ATOM 394 O HIS A 24 6.816 6.300 -0.249 1.00 0.00 O ATOM 395 CB HIS A 24 6.938 9.475 0.693 1.00 0.00 C ATOM 396 CG HIS A 24 8.177 9.124 1.457 1.00 0.00 C ATOM 397 ND1 HIS A 24 9.262 9.967 1.548 1.00 0.00 N ATOM 398 CD2 HIS A 24 8.498 8.030 2.184 1.00 0.00 C ATOM 399 CE1 HIS A 24 10.192 9.411 2.291 1.00 0.00 C ATOM 400 NE2 HIS A 24 9.755 8.233 2.693 1.00 0.00 N ATOM 0 H HIS A 24 5.501 10.264 -1.149 1.00 0.00 H new ATOM 0 HA HIS A 24 7.717 8.536 -1.071 1.00 0.00 H new ATOM 0 HB2 HIS A 24 6.965 10.537 0.450 1.00 0.00 H new ATOM 0 HB3 HIS A 24 6.073 9.317 1.336 1.00 0.00 H new ATOM 0 HD2 HIS A 24 7.879 7.158 2.336 1.00 0.00 H new ATOM 0 HE1 HIS A 24 11.151 9.845 2.532 1.00 0.00 H new ATOM 0 HE2 HIS A 24 10.268 7.580 3.285 1.00 0.00 H new ATOM 409 N ALA A 25 4.808 7.315 -0.054 1.00 0.00 N ATOM 410 CA ALA A 25 4.070 6.092 0.222 1.00 0.00 C ATOM 411 C ALA A 25 4.132 5.109 -0.947 1.00 0.00 C ATOM 412 O ALA A 25 4.449 3.938 -0.752 1.00 0.00 O ATOM 413 CB ALA A 25 2.624 6.415 0.566 1.00 0.00 C ATOM 0 H ALA A 25 4.234 8.158 -0.051 1.00 0.00 H new ATOM 0 HA ALA A 25 4.543 5.610 1.078 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.083 5.491 0.770 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.594 7.055 1.448 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.157 6.931 -0.273 1.00 0.00 H new ATOM 419 N ILE A 26 3.832 5.582 -2.163 1.00 0.00 N ATOM 420 CA ILE A 26 3.856 4.703 -3.337 1.00 0.00 C ATOM 421 C ILE A 26 5.276 4.244 -3.654 1.00 0.00 C ATOM 422 O ILE A 26 5.473 3.154 -4.169 1.00 0.00 O ATOM 423 CB ILE A 26 3.204 5.340 -4.599 1.00 0.00 C ATOM 424 CG1 ILE A 26 3.943 6.608 -5.020 1.00 0.00 C ATOM 425 CG2 ILE A 26 1.730 5.633 -4.343 1.00 0.00 C ATOM 426 CD1 ILE A 26 3.413 7.237 -6.294 1.00 0.00 C ATOM 0 H ILE A 26 3.575 6.550 -2.358 1.00 0.00 H new ATOM 0 HA ILE A 26 3.250 3.837 -3.070 1.00 0.00 H new ATOM 0 HB ILE A 26 3.279 4.625 -5.418 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.880 7.338 -4.213 1.00 0.00 H new ATOM 0 HG13 ILE A 26 4.999 6.373 -5.155 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.287 6.078 -5.234 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.211 4.705 -4.105 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.637 6.326 -3.507 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.990 8.132 -6.525 1.00 0.00 H new ATOM 0 HD12 ILE A 26 3.502 6.526 -7.115 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.365 7.506 -6.159 1.00 0.00 H new ATOM 438 N GLU A 27 6.253 5.095 -3.353 1.00 0.00 N ATOM 439 CA GLU A 27 7.664 4.745 -3.510 1.00 0.00 C ATOM 440 C GLU A 27 7.982 3.519 -2.654 1.00 0.00 C ATOM 441 O GLU A 27 8.460 2.489 -3.153 1.00 0.00 O ATOM 442 CB GLU A 27 8.549 5.923 -3.052 1.00 0.00 C ATOM 443 CG GLU A 27 10.041 5.630 -3.021 1.00 0.00 C ATOM 444 CD GLU A 27 10.589 5.293 -4.377 1.00 0.00 C ATOM 445 OE1 GLU A 27 10.962 6.226 -5.119 1.00 0.00 O ATOM 446 OE2 GLU A 27 10.651 4.097 -4.709 1.00 0.00 O ATOM 0 H GLU A 27 6.093 6.037 -2.997 1.00 0.00 H new ATOM 0 HA GLU A 27 7.864 4.526 -4.559 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.374 6.769 -3.716 1.00 0.00 H new ATOM 0 HB3 GLU A 27 8.233 6.229 -2.055 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.570 6.496 -2.624 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.231 4.801 -2.340 1.00 0.00 H new ATOM 453 N LYS A 28 7.680 3.633 -1.372 1.00 0.00 N ATOM 454 CA LYS A 28 7.906 2.561 -0.428 1.00 0.00 C ATOM 455 C LYS A 28 7.051 1.347 -0.810 1.00 0.00 C ATOM 456 O LYS A 28 7.508 0.201 -0.739 1.00 0.00 O ATOM 457 CB LYS A 28 7.572 3.057 0.988 1.00 0.00 C ATOM 458 CG LYS A 28 8.196 2.252 2.121 1.00 0.00 C ATOM 459 CD LYS A 28 7.400 1.002 2.448 1.00 0.00 C ATOM 460 CE LYS A 28 8.019 0.255 3.615 1.00 0.00 C ATOM 461 NZ LYS A 28 7.165 -0.859 4.079 1.00 0.00 N ATOM 0 H LYS A 28 7.272 4.472 -0.960 1.00 0.00 H new ATOM 0 HA LYS A 28 8.952 2.255 -0.450 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.897 4.094 1.079 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.489 3.050 1.112 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.213 1.971 1.846 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.268 2.877 3.011 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.372 1.273 2.689 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.362 0.352 1.574 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.993 -0.135 3.320 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.189 0.948 4.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.444 -1.132 5.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.170 -0.557 4.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.280 -1.673 3.442 1.00 0.00 H new ATOM 475 N GLY A 29 5.817 1.620 -1.238 1.00 0.00 N ATOM 476 CA GLY A 29 4.906 0.572 -1.656 1.00 0.00 C ATOM 477 C GLY A 29 5.428 -0.211 -2.841 1.00 0.00 C ATOM 478 O GLY A 29 5.338 -1.432 -2.876 1.00 0.00 O ATOM 0 H GLY A 29 5.432 2.562 -1.301 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.733 -0.109 -0.822 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.943 1.013 -1.912 1.00 0.00 H new ATOM 482 N GLU A 30 5.976 0.505 -3.810 1.00 0.00 N ATOM 483 CA GLU A 30 6.521 -0.090 -5.019 1.00 0.00 C ATOM 484 C GLU A 30 7.647 -1.060 -4.683 1.00 0.00 C ATOM 485 O GLU A 30 7.676 -2.199 -5.159 1.00 0.00 O ATOM 486 CB GLU A 30 7.036 1.013 -5.951 1.00 0.00 C ATOM 487 CG GLU A 30 7.574 0.524 -7.286 1.00 0.00 C ATOM 488 CD GLU A 30 8.098 1.665 -8.138 1.00 0.00 C ATOM 489 OE1 GLU A 30 7.291 2.292 -8.867 1.00 0.00 O ATOM 490 OE2 GLU A 30 9.310 1.953 -8.070 1.00 0.00 O ATOM 0 H GLU A 30 6.055 1.521 -3.779 1.00 0.00 H new ATOM 0 HA GLU A 30 5.730 -0.646 -5.521 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.226 1.718 -6.139 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.825 1.563 -5.438 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.373 -0.197 -7.113 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.785 0.001 -7.826 1.00 0.00 H new ATOM 497 N HIS A 31 8.558 -0.602 -3.834 1.00 0.00 N ATOM 498 CA HIS A 31 9.723 -1.383 -3.447 1.00 0.00 C ATOM 499 C HIS A 31 9.312 -2.656 -2.695 1.00 0.00 C ATOM 500 O HIS A 31 9.783 -3.754 -3.010 1.00 0.00 O ATOM 501 CB HIS A 31 10.660 -0.528 -2.582 1.00 0.00 C ATOM 502 CG HIS A 31 12.037 -1.100 -2.422 1.00 0.00 C ATOM 503 ND1 HIS A 31 12.468 -1.723 -1.277 1.00 0.00 N ATOM 504 CD2 HIS A 31 13.089 -1.120 -3.275 1.00 0.00 C ATOM 505 CE1 HIS A 31 13.720 -2.105 -1.428 1.00 0.00 C ATOM 506 NE2 HIS A 31 14.121 -1.750 -2.632 1.00 0.00 N ATOM 0 H HIS A 31 8.510 0.318 -3.396 1.00 0.00 H new ATOM 0 HA HIS A 31 10.250 -1.687 -4.352 1.00 0.00 H new ATOM 0 HB2 HIS A 31 10.740 0.465 -3.024 1.00 0.00 H new ATOM 0 HB3 HIS A 31 10.213 -0.403 -1.596 1.00 0.00 H new ATOM 0 HD2 HIS A 31 13.110 -0.715 -4.276 1.00 0.00 H new ATOM 0 HE1 HIS A 31 14.316 -2.621 -0.690 1.00 0.00 H new ATOM 0 HE2 HIS A 31 15.049 -1.917 -3.022 1.00 0.00 H new ATOM 515 N GLN A 32 8.431 -2.504 -1.713 1.00 0.00 N ATOM 516 CA GLN A 32 7.967 -3.642 -0.919 1.00 0.00 C ATOM 517 C GLN A 32 7.104 -4.595 -1.757 1.00 0.00 C ATOM 518 O GLN A 32 7.127 -5.804 -1.536 1.00 0.00 O ATOM 519 CB GLN A 32 7.196 -3.171 0.318 1.00 0.00 C ATOM 520 CG GLN A 32 5.913 -2.428 0.002 1.00 0.00 C ATOM 521 CD GLN A 32 5.162 -1.990 1.237 1.00 0.00 C ATOM 522 OE1 GLN A 32 4.488 -0.968 1.234 1.00 0.00 O ATOM 523 NE2 GLN A 32 5.265 -2.757 2.303 1.00 0.00 N ATOM 0 H GLN A 32 8.023 -1.608 -1.446 1.00 0.00 H new ATOM 0 HA GLN A 32 8.849 -4.189 -0.588 1.00 0.00 H new ATOM 0 HB2 GLN A 32 6.959 -4.037 0.937 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.842 -2.523 0.911 1.00 0.00 H new ATOM 0 HG2 GLN A 32 6.147 -1.552 -0.603 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.268 -3.068 -0.600 1.00 0.00 H new ATOM 0 HE21 GLN A 32 5.836 -3.602 2.270 1.00 0.00 H new ATOM 0 HE22 GLN A 32 4.774 -2.506 3.161 1.00 0.00 H new ATOM 532 N LEU A 33 6.353 -4.056 -2.713 1.00 0.00 N ATOM 533 CA LEU A 33 5.525 -4.884 -3.590 1.00 0.00 C ATOM 534 C LEU A 33 6.411 -5.788 -4.429 1.00 0.00 C ATOM 535 O LEU A 33 6.186 -6.995 -4.501 1.00 0.00 O ATOM 536 CB LEU A 33 4.616 -3.995 -4.472 1.00 0.00 C ATOM 537 CG LEU A 33 3.664 -4.710 -5.473 1.00 0.00 C ATOM 538 CD1 LEU A 33 4.319 -4.865 -6.833 1.00 0.00 C ATOM 539 CD2 LEU A 33 3.213 -6.076 -4.941 1.00 0.00 C ATOM 0 H LEU A 33 6.299 -3.055 -2.901 1.00 0.00 H new ATOM 0 HA LEU A 33 4.874 -5.515 -2.985 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.007 -3.377 -3.812 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.256 -3.320 -5.040 1.00 0.00 H new ATOM 0 HG LEU A 33 2.780 -4.082 -5.584 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.631 -5.368 -7.513 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.568 -3.881 -7.231 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.229 -5.457 -6.733 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.549 -6.548 -5.666 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.085 -6.710 -4.781 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.684 -5.942 -3.997 1.00 0.00 H new ATOM 551 N LEU A 34 7.453 -5.212 -5.013 1.00 0.00 N ATOM 552 CA LEU A 34 8.382 -5.986 -5.825 1.00 0.00 C ATOM 553 C LEU A 34 9.081 -7.022 -4.957 1.00 0.00 C ATOM 554 O LEU A 34 9.425 -8.114 -5.418 1.00 0.00 O ATOM 555 CB LEU A 34 9.417 -5.069 -6.486 1.00 0.00 C ATOM 556 CG LEU A 34 8.862 -4.019 -7.454 1.00 0.00 C ATOM 557 CD1 LEU A 34 9.979 -3.133 -7.980 1.00 0.00 C ATOM 558 CD2 LEU A 34 8.121 -4.687 -8.607 1.00 0.00 C ATOM 0 H LEU A 34 7.675 -4.219 -4.941 1.00 0.00 H new ATOM 0 HA LEU A 34 7.822 -6.492 -6.611 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.971 -4.554 -5.701 1.00 0.00 H new ATOM 0 HB3 LEU A 34 10.132 -5.690 -7.026 1.00 0.00 H new ATOM 0 HG LEU A 34 8.155 -3.394 -6.909 1.00 0.00 H new ATOM 0 HD11 LEU A 34 9.565 -2.394 -8.666 1.00 0.00 H new ATOM 0 HD12 LEU A 34 10.463 -2.624 -7.146 1.00 0.00 H new ATOM 0 HD13 LEU A 34 10.712 -3.745 -8.506 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.735 -3.924 -9.282 1.00 0.00 H new ATOM 0 HD22 LEU A 34 8.805 -5.339 -9.150 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.292 -5.276 -8.214 1.00 0.00 H new ATOM 570 N TYR A 35 9.277 -6.676 -3.686 1.00 0.00 N ATOM 571 CA TYR A 35 9.899 -7.572 -2.735 1.00 0.00 C ATOM 572 C TYR A 35 8.989 -8.756 -2.429 1.00 0.00 C ATOM 573 O TYR A 35 9.394 -9.911 -2.551 1.00 0.00 O ATOM 574 CB TYR A 35 10.275 -6.834 -1.440 1.00 0.00 C ATOM 575 CG TYR A 35 10.677 -7.758 -0.302 1.00 0.00 C ATOM 576 CD1 TYR A 35 11.881 -8.458 -0.332 1.00 0.00 C ATOM 577 CD2 TYR A 35 9.844 -7.938 0.794 1.00 0.00 C ATOM 578 CE1 TYR A 35 12.236 -9.309 0.701 1.00 0.00 C ATOM 579 CE2 TYR A 35 10.195 -8.782 1.828 1.00 0.00 C ATOM 580 CZ TYR A 35 11.387 -9.464 1.779 1.00 0.00 C ATOM 581 OH TYR A 35 11.727 -10.313 2.810 1.00 0.00 O ATOM 0 H TYR A 35 9.009 -5.772 -3.297 1.00 0.00 H new ATOM 0 HA TYR A 35 10.816 -7.950 -3.187 1.00 0.00 H new ATOM 0 HB2 TYR A 35 11.098 -6.150 -1.648 1.00 0.00 H new ATOM 0 HB3 TYR A 35 9.429 -6.226 -1.120 1.00 0.00 H new ATOM 0 HD1 TYR A 35 12.547 -8.335 -1.173 1.00 0.00 H new ATOM 0 HD2 TYR A 35 8.904 -7.408 0.838 1.00 0.00 H new ATOM 0 HE1 TYR A 35 13.171 -9.848 0.664 1.00 0.00 H new ATOM 0 HE2 TYR A 35 9.535 -8.906 2.673 1.00 0.00 H new ATOM 0 HH TYR A 35 11.020 -10.304 3.488 1.00 0.00 H new ATOM 591 N LEU A 36 7.742 -8.462 -2.037 1.00 0.00 N ATOM 592 CA LEU A 36 6.778 -9.491 -1.666 1.00 0.00 C ATOM 593 C LEU A 36 6.467 -10.425 -2.824 1.00 0.00 C ATOM 594 O LEU A 36 6.199 -11.608 -2.613 1.00 0.00 O ATOM 595 CB LEU A 36 5.492 -8.855 -1.128 1.00 0.00 C ATOM 596 CG LEU A 36 5.640 -8.070 0.184 1.00 0.00 C ATOM 597 CD1 LEU A 36 4.337 -7.383 0.549 1.00 0.00 C ATOM 598 CD2 LEU A 36 6.090 -8.990 1.313 1.00 0.00 C ATOM 0 H LEU A 36 7.381 -7.510 -1.970 1.00 0.00 H new ATOM 0 HA LEU A 36 7.232 -10.091 -0.877 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.093 -8.184 -1.889 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.753 -9.642 -0.978 1.00 0.00 H new ATOM 0 HG LEU A 36 6.402 -7.305 0.037 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.464 -6.833 1.481 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.056 -6.691 -0.245 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.554 -8.131 0.673 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.189 -8.415 2.234 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.352 -9.779 1.456 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.052 -9.435 1.058 1.00 0.00 H new ATOM 610 N GLN A 37 6.500 -9.901 -4.046 1.00 0.00 N ATOM 611 CA GLN A 37 6.261 -10.735 -5.217 1.00 0.00 C ATOM 612 C GLN A 37 7.342 -11.802 -5.332 1.00 0.00 C ATOM 613 O GLN A 37 7.096 -12.900 -5.827 1.00 0.00 O ATOM 614 CB GLN A 37 6.181 -9.904 -6.493 1.00 0.00 C ATOM 615 CG GLN A 37 5.001 -8.960 -6.507 1.00 0.00 C ATOM 616 CD GLN A 37 4.777 -8.295 -7.842 1.00 0.00 C ATOM 617 OE1 GLN A 37 5.708 -8.086 -8.621 1.00 0.00 O ATOM 618 NE2 GLN A 37 3.536 -7.954 -8.111 1.00 0.00 N ATOM 0 H GLN A 37 6.687 -8.919 -4.249 1.00 0.00 H new ATOM 0 HA GLN A 37 5.296 -11.225 -5.089 1.00 0.00 H new ATOM 0 HB2 GLN A 37 7.101 -9.330 -6.605 1.00 0.00 H new ATOM 0 HB3 GLN A 37 6.116 -10.572 -7.352 1.00 0.00 H new ATOM 0 HG2 GLN A 37 4.102 -9.511 -6.229 1.00 0.00 H new ATOM 0 HG3 GLN A 37 5.152 -8.192 -5.748 1.00 0.00 H new ATOM 0 HE21 GLN A 37 2.796 -8.147 -7.436 1.00 0.00 H new ATOM 0 HE22 GLN A 37 3.313 -7.497 -8.995 1.00 0.00 H new ATOM 627 N HIS A 38 8.540 -11.478 -4.853 1.00 0.00 N ATOM 628 CA HIS A 38 9.625 -12.441 -4.831 1.00 0.00 C ATOM 629 C HIS A 38 9.376 -13.490 -3.769 1.00 0.00 C ATOM 630 O HIS A 38 9.743 -14.651 -3.936 1.00 0.00 O ATOM 631 CB HIS A 38 10.977 -11.767 -4.606 1.00 0.00 C ATOM 632 CG HIS A 38 11.668 -11.381 -5.874 1.00 0.00 C ATOM 633 ND1 HIS A 38 12.428 -12.260 -6.607 1.00 0.00 N ATOM 634 CD2 HIS A 38 11.712 -10.209 -6.541 1.00 0.00 C ATOM 635 CE1 HIS A 38 12.910 -11.652 -7.664 1.00 0.00 C ATOM 636 NE2 HIS A 38 12.494 -10.401 -7.652 1.00 0.00 N ATOM 0 H HIS A 38 8.778 -10.560 -4.478 1.00 0.00 H new ATOM 0 HA HIS A 38 9.657 -12.923 -5.808 1.00 0.00 H new ATOM 0 HB2 HIS A 38 10.833 -10.876 -3.994 1.00 0.00 H new ATOM 0 HB3 HIS A 38 11.621 -12.441 -4.041 1.00 0.00 H new ATOM 0 HD2 HIS A 38 11.222 -9.290 -6.254 1.00 0.00 H new ATOM 0 HE1 HIS A 38 13.541 -12.100 -8.417 1.00 0.00 H new ATOM 0 HE2 HIS A 38 12.716 -9.693 -8.352 1.00 0.00 H new ATOM 645 N GLN A 39 8.729 -13.082 -2.672 1.00 0.00 N ATOM 646 CA GLN A 39 8.387 -14.001 -1.603 1.00 0.00 C ATOM 647 C GLN A 39 7.351 -14.982 -2.109 1.00 0.00 C ATOM 648 O GLN A 39 7.432 -16.180 -1.861 1.00 0.00 O ATOM 649 CB GLN A 39 7.827 -13.233 -0.396 1.00 0.00 C ATOM 650 CG GLN A 39 8.750 -12.146 0.135 1.00 0.00 C ATOM 651 CD GLN A 39 10.001 -12.701 0.776 1.00 0.00 C ATOM 652 OE1 GLN A 39 11.011 -12.921 0.111 1.00 0.00 O ATOM 653 NE2 GLN A 39 9.947 -12.914 2.077 1.00 0.00 N ATOM 0 H GLN A 39 8.435 -12.119 -2.509 1.00 0.00 H new ATOM 0 HA GLN A 39 9.283 -14.536 -1.288 1.00 0.00 H new ATOM 0 HB2 GLN A 39 6.876 -12.781 -0.677 1.00 0.00 H new ATOM 0 HB3 GLN A 39 7.619 -13.941 0.406 1.00 0.00 H new ATOM 0 HG2 GLN A 39 9.030 -11.482 -0.683 1.00 0.00 H new ATOM 0 HG3 GLN A 39 8.211 -11.542 0.865 1.00 0.00 H new ATOM 0 HE21 GLN A 39 9.088 -12.718 2.591 1.00 0.00 H new ATOM 0 HE22 GLN A 39 10.764 -13.275 2.569 1.00 0.00 H new ATOM 662 N LEU A 40 6.354 -14.438 -2.809 1.00 0.00 N ATOM 663 CA LEU A 40 5.318 -15.230 -3.454 1.00 0.00 C ATOM 664 C LEU A 40 5.933 -16.298 -4.344 1.00 0.00 C ATOM 665 O LEU A 40 5.545 -17.464 -4.284 1.00 0.00 O ATOM 666 CB LEU A 40 4.401 -14.331 -4.286 1.00 0.00 C ATOM 667 CG LEU A 40 3.351 -15.058 -5.129 1.00 0.00 C ATOM 668 CD1 LEU A 40 2.342 -15.765 -4.241 1.00 0.00 C ATOM 669 CD2 LEU A 40 2.659 -14.091 -6.072 1.00 0.00 C ATOM 0 H LEU A 40 6.246 -13.432 -2.942 1.00 0.00 H new ATOM 0 HA LEU A 40 4.731 -15.717 -2.676 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.888 -13.643 -3.613 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.019 -13.727 -4.950 1.00 0.00 H new ATOM 0 HG LEU A 40 3.858 -15.813 -5.730 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.605 -16.275 -4.862 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.856 -16.494 -3.615 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.839 -15.034 -3.608 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.916 -14.627 -6.662 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.167 -13.308 -5.494 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.396 -13.642 -6.738 1.00 0.00 H new ATOM 681 N ASP A 41 6.907 -15.896 -5.161 1.00 0.00 N ATOM 682 CA ASP A 41 7.590 -16.813 -6.065 1.00 0.00 C ATOM 683 C ASP A 41 8.248 -17.933 -5.278 1.00 0.00 C ATOM 684 O ASP A 41 8.195 -19.109 -5.659 1.00 0.00 O ATOM 685 CB ASP A 41 8.629 -16.045 -6.888 1.00 0.00 C ATOM 686 CG ASP A 41 9.449 -16.933 -7.796 1.00 0.00 C ATOM 687 OD1 ASP A 41 8.858 -17.692 -8.583 1.00 0.00 O ATOM 688 OD2 ASP A 41 10.692 -16.864 -7.730 1.00 0.00 O ATOM 0 H ASP A 41 7.240 -14.933 -5.213 1.00 0.00 H new ATOM 0 HA ASP A 41 6.863 -17.257 -6.745 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.121 -15.292 -7.490 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.298 -15.513 -6.211 1.00 0.00 H new ATOM 693 N GLU A 42 8.847 -17.555 -4.159 1.00 0.00 N ATOM 694 CA GLU A 42 9.488 -18.487 -3.266 1.00 0.00 C ATOM 695 C GLU A 42 8.459 -19.469 -2.702 1.00 0.00 C ATOM 696 O GLU A 42 8.688 -20.677 -2.690 1.00 0.00 O ATOM 697 CB GLU A 42 10.174 -17.713 -2.128 1.00 0.00 C ATOM 698 CG GLU A 42 10.876 -18.580 -1.098 1.00 0.00 C ATOM 699 CD GLU A 42 12.022 -19.372 -1.679 1.00 0.00 C ATOM 700 OE1 GLU A 42 12.984 -18.756 -2.189 1.00 0.00 O ATOM 701 OE2 GLU A 42 11.986 -20.614 -1.607 1.00 0.00 O ATOM 0 H GLU A 42 8.898 -16.584 -3.850 1.00 0.00 H new ATOM 0 HA GLU A 42 10.239 -19.056 -3.813 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.902 -17.028 -2.562 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.426 -17.104 -1.620 1.00 0.00 H new ATOM 0 HG2 GLU A 42 11.250 -17.948 -0.292 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.154 -19.266 -0.656 1.00 0.00 H new ATOM 708 N LEU A 43 7.305 -18.944 -2.283 1.00 0.00 N ATOM 709 CA LEU A 43 6.240 -19.738 -1.678 1.00 0.00 C ATOM 710 C LEU A 43 5.675 -20.765 -2.667 1.00 0.00 C ATOM 711 O LEU A 43 5.339 -21.890 -2.282 1.00 0.00 O ATOM 712 CB LEU A 43 5.134 -18.777 -1.156 1.00 0.00 C ATOM 713 CG LEU A 43 3.870 -19.383 -0.494 1.00 0.00 C ATOM 714 CD1 LEU A 43 2.860 -19.825 -1.535 1.00 0.00 C ATOM 715 CD2 LEU A 43 4.230 -20.536 0.433 1.00 0.00 C ATOM 0 H LEU A 43 7.085 -17.951 -2.356 1.00 0.00 H new ATOM 0 HA LEU A 43 6.645 -20.307 -0.841 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.595 -18.105 -0.433 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.805 -18.165 -1.996 1.00 0.00 H new ATOM 0 HG LEU A 43 3.410 -18.599 0.108 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.986 -20.245 -1.038 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.558 -18.967 -2.136 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.309 -20.580 -2.180 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.322 -20.939 0.882 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.731 -21.318 -0.137 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.895 -20.177 1.219 1.00 0.00 H new ATOM 727 N ASN A 44 5.601 -20.384 -3.937 1.00 0.00 N ATOM 728 CA ASN A 44 5.038 -21.253 -4.975 1.00 0.00 C ATOM 729 C ASN A 44 5.834 -22.542 -5.082 1.00 0.00 C ATOM 730 O ASN A 44 5.275 -23.620 -5.269 1.00 0.00 O ATOM 731 CB ASN A 44 5.020 -20.534 -6.335 1.00 0.00 C ATOM 732 CG ASN A 44 4.085 -19.341 -6.369 1.00 0.00 C ATOM 733 OD1 ASN A 44 3.101 -19.290 -5.646 1.00 0.00 O ATOM 734 ND2 ASN A 44 4.381 -18.383 -7.227 1.00 0.00 N ATOM 0 H ASN A 44 5.923 -19.478 -4.278 1.00 0.00 H new ATOM 0 HA ASN A 44 4.013 -21.495 -4.693 1.00 0.00 H new ATOM 0 HB2 ASN A 44 6.030 -20.203 -6.577 1.00 0.00 H new ATOM 0 HB3 ASN A 44 4.723 -21.242 -7.109 1.00 0.00 H new ATOM 0 HD21 ASN A 44 3.779 -17.563 -7.304 1.00 0.00 H new ATOM 0 HD22 ASN A 44 5.212 -18.462 -7.813 1.00 0.00 H new ATOM 741 N GLU A 45 7.138 -22.415 -4.942 1.00 0.00 N ATOM 742 CA GLU A 45 8.033 -23.552 -5.040 1.00 0.00 C ATOM 743 C GLU A 45 8.249 -24.215 -3.687 1.00 0.00 C ATOM 744 O GLU A 45 8.303 -25.440 -3.589 1.00 0.00 O ATOM 745 CB GLU A 45 9.373 -23.125 -5.629 1.00 0.00 C ATOM 746 CG GLU A 45 9.294 -22.698 -7.081 1.00 0.00 C ATOM 747 CD GLU A 45 10.623 -22.218 -7.612 1.00 0.00 C ATOM 748 OE1 GLU A 45 11.625 -22.956 -7.482 1.00 0.00 O ATOM 749 OE2 GLU A 45 10.672 -21.111 -8.179 1.00 0.00 O ATOM 0 H GLU A 45 7.606 -21.527 -4.758 1.00 0.00 H new ATOM 0 HA GLU A 45 7.565 -24.281 -5.701 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.773 -22.301 -5.039 1.00 0.00 H new ATOM 0 HB3 GLU A 45 10.078 -23.951 -5.541 1.00 0.00 H new ATOM 0 HG2 GLU A 45 8.946 -23.536 -7.685 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.556 -21.902 -7.183 1.00 0.00 H new ATOM 756 N ASN A 46 8.364 -23.407 -2.646 1.00 0.00 N ATOM 757 CA ASN A 46 8.651 -23.902 -1.303 1.00 0.00 C ATOM 758 C ASN A 46 7.451 -24.636 -0.691 1.00 0.00 C ATOM 759 O ASN A 46 7.636 -25.653 -0.029 1.00 0.00 O ATOM 760 CB ASN A 46 9.047 -22.718 -0.409 1.00 0.00 C ATOM 761 CG ASN A 46 9.389 -23.112 1.011 1.00 0.00 C ATOM 762 OD1 ASN A 46 8.514 -23.220 1.863 1.00 0.00 O ATOM 763 ND2 ASN A 46 10.663 -23.295 1.282 1.00 0.00 N ATOM 0 H ASN A 46 8.262 -22.394 -2.704 1.00 0.00 H new ATOM 0 HA ASN A 46 9.469 -24.619 -1.372 1.00 0.00 H new ATOM 0 HB2 ASN A 46 9.904 -22.211 -0.852 1.00 0.00 H new ATOM 0 HB3 ASN A 46 8.227 -22.000 -0.389 1.00 0.00 H new ATOM 0 HD21 ASN A 46 10.953 -23.536 2.230 1.00 0.00 H new ATOM 0 HD22 ASN A 46 11.361 -23.196 0.545 1.00 0.00 H new ATOM 770 N LYS A 47 6.228 -24.147 -0.954 1.00 0.00 N ATOM 771 CA LYS A 47 4.999 -24.712 -0.359 1.00 0.00 C ATOM 772 C LYS A 47 5.086 -24.789 1.180 1.00 0.00 C ATOM 773 O LYS A 47 5.688 -25.694 1.754 1.00 0.00 O ATOM 774 CB LYS A 47 4.660 -26.082 -0.944 1.00 0.00 C ATOM 775 CG LYS A 47 3.155 -26.298 -1.200 1.00 0.00 C ATOM 776 CD LYS A 47 2.601 -25.413 -2.345 1.00 0.00 C ATOM 777 CE LYS A 47 3.366 -25.633 -3.643 1.00 0.00 C ATOM 778 NZ LYS A 47 2.747 -24.924 -4.788 1.00 0.00 N ATOM 0 H LYS A 47 6.061 -23.357 -1.578 1.00 0.00 H new ATOM 0 HA LYS A 47 4.191 -24.027 -0.616 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.200 -26.209 -1.882 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.017 -26.855 -0.264 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.980 -27.346 -1.442 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.603 -26.086 -0.285 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.546 -25.637 -2.501 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.665 -24.363 -2.058 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.393 -25.291 -3.519 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.410 -26.700 -3.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.904 -25.469 -5.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.725 -24.823 -4.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.177 -23.982 -4.886 1.00 0.00 H new ATOM 792 N SER A 48 4.447 -23.847 1.806 1.00 0.00 N ATOM 793 CA SER A 48 4.465 -23.728 3.256 1.00 0.00 C ATOM 794 C SER A 48 3.266 -22.987 3.774 1.00 0.00 C ATOM 795 O SER A 48 3.072 -21.818 3.450 1.00 0.00 O ATOM 796 CB SER A 48 5.762 -23.073 3.741 1.00 0.00 C ATOM 797 OG SER A 48 6.840 -23.993 3.728 1.00 0.00 O ATOM 0 H SER A 48 3.893 -23.131 1.336 1.00 0.00 H new ATOM 0 HA SER A 48 4.422 -24.740 3.660 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.001 -22.220 3.105 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.622 -22.688 4.751 1.00 0.00 H new ATOM 0 HG SER A 48 7.382 -23.850 2.924 1.00 0.00 H new ATOM 803 N LYS A 49 2.452 -23.663 4.575 1.00 0.00 N ATOM 804 CA LYS A 49 1.291 -23.032 5.167 1.00 0.00 C ATOM 805 C LYS A 49 1.724 -21.854 6.049 1.00 0.00 C ATOM 806 O LYS A 49 1.129 -20.785 6.010 1.00 0.00 O ATOM 807 CB LYS A 49 0.432 -24.042 5.981 1.00 0.00 C ATOM 808 CG LYS A 49 1.173 -24.784 7.094 1.00 0.00 C ATOM 809 CD LYS A 49 1.857 -26.047 6.587 1.00 0.00 C ATOM 810 CE LYS A 49 2.663 -26.720 7.682 1.00 0.00 C ATOM 811 NZ LYS A 49 3.441 -27.876 7.168 1.00 0.00 N ATOM 0 H LYS A 49 2.578 -24.644 4.826 1.00 0.00 H new ATOM 0 HA LYS A 49 0.665 -22.659 4.356 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.409 -23.506 6.422 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.015 -24.777 5.292 1.00 0.00 H new ATOM 0 HG2 LYS A 49 1.918 -24.122 7.536 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.470 -25.046 7.884 1.00 0.00 H new ATOM 0 HD2 LYS A 49 1.107 -26.741 6.207 1.00 0.00 H new ATOM 0 HD3 LYS A 49 2.512 -25.797 5.752 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.343 -25.995 8.129 1.00 0.00 H new ATOM 0 HE3 LYS A 49 1.992 -27.057 8.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.977 -28.308 7.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 2.791 -28.580 6.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.100 -27.551 6.432 1.00 0.00 H new ATOM 825 N GLU A 50 2.795 -22.064 6.820 1.00 0.00 N ATOM 826 CA GLU A 50 3.350 -21.035 7.701 1.00 0.00 C ATOM 827 C GLU A 50 3.891 -19.848 6.893 1.00 0.00 C ATOM 828 O GLU A 50 3.725 -18.692 7.285 1.00 0.00 O ATOM 829 CB GLU A 50 4.476 -21.645 8.551 1.00 0.00 C ATOM 830 CG GLU A 50 5.604 -22.239 7.710 1.00 0.00 C ATOM 831 CD GLU A 50 6.498 -23.186 8.473 1.00 0.00 C ATOM 832 OE1 GLU A 50 7.358 -22.712 9.237 1.00 0.00 O ATOM 833 OE2 GLU A 50 6.360 -24.415 8.288 1.00 0.00 O ATOM 0 H GLU A 50 3.300 -22.950 6.850 1.00 0.00 H new ATOM 0 HA GLU A 50 2.555 -20.667 8.349 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.885 -20.877 9.207 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.060 -22.423 9.192 1.00 0.00 H new ATOM 0 HG2 GLU A 50 5.172 -22.767 6.860 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.210 -21.428 7.306 1.00 0.00 H new ATOM 840 N LEU A 51 4.514 -20.148 5.770 1.00 0.00 N ATOM 841 CA LEU A 51 5.064 -19.117 4.900 1.00 0.00 C ATOM 842 C LEU A 51 3.916 -18.341 4.278 1.00 0.00 C ATOM 843 O LEU A 51 3.961 -17.119 4.154 1.00 0.00 O ATOM 844 CB LEU A 51 5.955 -19.746 3.822 1.00 0.00 C ATOM 845 CG LEU A 51 6.660 -18.784 2.856 1.00 0.00 C ATOM 846 CD1 LEU A 51 7.522 -17.787 3.618 1.00 0.00 C ATOM 847 CD2 LEU A 51 7.509 -19.570 1.862 1.00 0.00 C ATOM 0 H LEU A 51 4.654 -21.101 5.434 1.00 0.00 H new ATOM 0 HA LEU A 51 5.685 -18.434 5.480 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.717 -20.346 4.319 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.344 -20.430 3.234 1.00 0.00 H new ATOM 0 HG LEU A 51 5.900 -18.226 2.308 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.012 -17.116 2.913 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.895 -17.207 4.295 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.277 -18.323 4.192 1.00 0.00 H new ATOM 0 HD21 LEU A 51 8.005 -18.879 1.181 1.00 0.00 H new ATOM 0 HD22 LEU A 51 8.259 -20.149 2.402 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.871 -20.245 1.292 1.00 0.00 H new ATOM 859 N GLN A 52 2.878 -19.077 3.919 1.00 0.00 N ATOM 860 CA GLN A 52 1.666 -18.506 3.359 1.00 0.00 C ATOM 861 C GLN A 52 1.033 -17.528 4.347 1.00 0.00 C ATOM 862 O GLN A 52 0.624 -16.425 3.969 1.00 0.00 O ATOM 863 CB GLN A 52 0.689 -19.634 3.008 1.00 0.00 C ATOM 864 CG GLN A 52 -0.657 -19.173 2.488 1.00 0.00 C ATOM 865 CD GLN A 52 -1.504 -20.324 1.995 1.00 0.00 C ATOM 866 OE1 GLN A 52 -0.986 -21.332 1.521 1.00 0.00 O ATOM 867 NE2 GLN A 52 -2.809 -20.188 2.107 1.00 0.00 N ATOM 0 H GLN A 52 2.853 -20.093 4.008 1.00 0.00 H new ATOM 0 HA GLN A 52 1.911 -17.954 2.452 1.00 0.00 H new ATOM 0 HB2 GLN A 52 1.152 -20.275 2.258 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.529 -20.246 3.896 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -1.189 -18.646 3.280 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -0.507 -18.461 1.676 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.200 -19.335 2.506 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.428 -20.936 1.794 1.00 0.00 H new ATOM 876 N GLU A 53 0.970 -17.935 5.614 1.00 0.00 N ATOM 877 CA GLU A 53 0.414 -17.097 6.667 1.00 0.00 C ATOM 878 C GLU A 53 1.185 -15.785 6.802 1.00 0.00 C ATOM 879 O GLU A 53 0.585 -14.720 6.897 1.00 0.00 O ATOM 880 CB GLU A 53 0.393 -17.846 8.000 1.00 0.00 C ATOM 881 CG GLU A 53 -0.512 -19.066 8.014 1.00 0.00 C ATOM 882 CD GLU A 53 -0.623 -19.682 9.389 1.00 0.00 C ATOM 883 OE1 GLU A 53 0.262 -20.474 9.769 1.00 0.00 O ATOM 884 OE2 GLU A 53 -1.598 -19.363 10.106 1.00 0.00 O ATOM 0 H GLU A 53 1.300 -18.846 5.934 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.612 -16.854 6.389 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.408 -18.158 8.245 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.072 -17.160 8.784 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.505 -18.783 7.664 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.127 -19.809 7.315 1.00 0.00 H new ATOM 891 N LYS A 54 2.513 -15.864 6.792 1.00 0.00 N ATOM 892 CA LYS A 54 3.357 -14.667 6.900 1.00 0.00 C ATOM 893 C LYS A 54 3.088 -13.712 5.744 1.00 0.00 C ATOM 894 O LYS A 54 2.919 -12.507 5.942 1.00 0.00 O ATOM 895 CB LYS A 54 4.840 -15.048 6.900 1.00 0.00 C ATOM 896 CG LYS A 54 5.237 -16.018 7.993 1.00 0.00 C ATOM 897 CD LYS A 54 4.959 -15.459 9.376 1.00 0.00 C ATOM 898 CE LYS A 54 5.294 -16.475 10.452 1.00 0.00 C ATOM 899 NZ LYS A 54 4.537 -17.740 10.270 1.00 0.00 N ATOM 0 H LYS A 54 3.031 -16.739 6.711 1.00 0.00 H new ATOM 0 HA LYS A 54 3.112 -14.173 7.840 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.090 -15.486 5.934 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.436 -14.141 7.002 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.692 -16.953 7.863 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.298 -16.252 7.903 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.546 -14.554 9.531 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.909 -15.175 9.453 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.363 -16.685 10.433 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.069 -16.054 11.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.576 -18.297 11.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.546 -17.522 10.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.958 -18.288 9.493 1.00 0.00 H new ATOM 913 N ILE A 55 3.027 -14.274 4.549 1.00 0.00 N ATOM 914 CA ILE A 55 2.816 -13.488 3.346 1.00 0.00 C ATOM 915 C ILE A 55 1.480 -12.753 3.387 1.00 0.00 C ATOM 916 O ILE A 55 1.436 -11.535 3.235 1.00 0.00 O ATOM 917 CB ILE A 55 2.908 -14.349 2.062 1.00 0.00 C ATOM 918 CG1 ILE A 55 4.319 -14.934 1.924 1.00 0.00 C ATOM 919 CG2 ILE A 55 2.549 -13.519 0.827 1.00 0.00 C ATOM 920 CD1 ILE A 55 4.504 -15.812 0.705 1.00 0.00 C ATOM 0 H ILE A 55 3.121 -15.276 4.386 1.00 0.00 H new ATOM 0 HA ILE A 55 3.619 -12.752 3.315 1.00 0.00 H new ATOM 0 HB ILE A 55 2.193 -15.168 2.139 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.038 -14.116 1.883 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.549 -15.516 2.817 1.00 0.00 H new ATOM 0 HG21 ILE A 55 2.620 -14.143 -0.064 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.531 -13.142 0.926 1.00 0.00 H new ATOM 0 HG23 ILE A 55 3.240 -12.681 0.739 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.527 -16.187 0.679 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.811 -16.652 0.753 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.307 -15.230 -0.196 1.00 0.00 H new ATOM 932 N ILE A 56 0.394 -13.483 3.624 1.00 0.00 N ATOM 933 CA ILE A 56 -0.931 -12.871 3.654 1.00 0.00 C ATOM 934 C ILE A 56 -1.074 -11.895 4.835 1.00 0.00 C ATOM 935 O ILE A 56 -1.716 -10.859 4.715 1.00 0.00 O ATOM 936 CB ILE A 56 -2.076 -13.934 3.682 1.00 0.00 C ATOM 937 CG1 ILE A 56 -3.453 -13.252 3.643 1.00 0.00 C ATOM 938 CG2 ILE A 56 -1.960 -14.841 4.901 1.00 0.00 C ATOM 939 CD1 ILE A 56 -4.620 -14.219 3.633 1.00 0.00 C ATOM 0 H ILE A 56 0.404 -14.488 3.796 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.030 -12.307 2.727 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.974 -14.556 2.792 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.546 -12.595 4.508 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.510 -12.621 2.756 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.771 -15.569 4.891 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.003 -15.363 4.877 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.023 -14.241 5.809 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -5.555 -13.660 3.605 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -4.554 -14.860 2.754 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.591 -14.833 4.533 1.00 0.00 H new ATOM 951 N ARG A 57 -0.446 -12.220 5.962 1.00 0.00 N ATOM 952 CA ARG A 57 -0.520 -11.371 7.152 1.00 0.00 C ATOM 953 C ARG A 57 0.193 -10.043 6.937 1.00 0.00 C ATOM 954 O ARG A 57 -0.366 -8.982 7.239 1.00 0.00 O ATOM 955 CB ARG A 57 0.048 -12.101 8.377 1.00 0.00 C ATOM 956 CG ARG A 57 -1.012 -12.733 9.271 1.00 0.00 C ATOM 957 CD ARG A 57 -1.900 -13.693 8.504 1.00 0.00 C ATOM 958 NE ARG A 57 -3.004 -14.186 9.321 1.00 0.00 N ATOM 959 CZ ARG A 57 -4.264 -14.289 8.898 1.00 0.00 C ATOM 960 NH1 ARG A 57 -4.583 -13.940 7.655 1.00 0.00 N ATOM 961 NH2 ARG A 57 -5.208 -14.734 9.722 1.00 0.00 N ATOM 0 H ARG A 57 0.118 -13.062 6.078 1.00 0.00 H new ATOM 0 HA ARG A 57 -1.572 -11.154 7.337 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.733 -12.878 8.038 1.00 0.00 H new ATOM 0 HB3 ARG A 57 0.633 -11.396 8.968 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.527 -13.263 10.090 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.625 -11.950 9.717 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -2.297 -13.193 7.621 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -1.305 -14.536 8.152 1.00 0.00 H new ATOM 0 HE ARG A 57 -2.798 -14.470 10.279 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -3.863 -13.592 7.022 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -5.548 -14.020 7.335 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -4.968 -14.997 10.678 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -6.172 -14.813 9.398 1.00 0.00 H new ATOM 975 N GLU A 58 1.408 -10.086 6.406 1.00 0.00 N ATOM 976 CA GLU A 58 2.132 -8.864 6.155 1.00 0.00 C ATOM 977 C GLU A 58 1.524 -8.097 4.987 1.00 0.00 C ATOM 978 O GLU A 58 1.490 -6.870 4.989 1.00 0.00 O ATOM 979 CB GLU A 58 3.627 -9.111 5.936 1.00 0.00 C ATOM 980 CG GLU A 58 4.389 -7.850 5.566 1.00 0.00 C ATOM 981 CD GLU A 58 5.880 -7.985 5.731 1.00 0.00 C ATOM 982 OE1 GLU A 58 6.538 -8.543 4.832 1.00 0.00 O ATOM 983 OE2 GLU A 58 6.408 -7.522 6.767 1.00 0.00 O ATOM 0 H GLU A 58 1.899 -10.942 6.147 1.00 0.00 H new ATOM 0 HA GLU A 58 2.040 -8.249 7.050 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.056 -9.535 6.844 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.755 -9.851 5.146 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.167 -7.590 4.531 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.035 -7.025 6.185 1.00 0.00 H new ATOM 990 N LEU A 59 1.014 -8.822 4.004 1.00 0.00 N ATOM 991 CA LEU A 59 0.390 -8.206 2.850 1.00 0.00 C ATOM 992 C LEU A 59 -0.838 -7.414 3.292 1.00 0.00 C ATOM 993 O LEU A 59 -1.033 -6.263 2.899 1.00 0.00 O ATOM 994 CB LEU A 59 -0.010 -9.283 1.841 1.00 0.00 C ATOM 995 CG LEU A 59 -0.410 -8.796 0.455 1.00 0.00 C ATOM 996 CD1 LEU A 59 0.750 -8.090 -0.212 1.00 0.00 C ATOM 997 CD2 LEU A 59 -0.878 -9.961 -0.394 1.00 0.00 C ATOM 0 H LEU A 59 1.022 -9.842 3.985 1.00 0.00 H new ATOM 0 HA LEU A 59 1.098 -7.526 2.376 1.00 0.00 H new ATOM 0 HB2 LEU A 59 0.824 -9.976 1.732 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.843 -9.849 2.258 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.231 -8.087 0.558 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.447 -7.748 -1.202 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.050 -7.234 0.392 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.589 -8.779 -0.307 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.161 -9.600 -1.383 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.072 -10.688 -0.490 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.738 -10.434 0.080 1.00 0.00 H new ATOM 1009 N ASP A 60 -1.645 -8.050 4.131 1.00 0.00 N ATOM 1010 CA ASP A 60 -2.865 -7.457 4.665 1.00 0.00 C ATOM 1011 C ASP A 60 -2.575 -6.200 5.478 1.00 0.00 C ATOM 1012 O ASP A 60 -3.207 -5.163 5.276 1.00 0.00 O ATOM 1013 CB ASP A 60 -3.602 -8.483 5.529 1.00 0.00 C ATOM 1014 CG ASP A 60 -4.839 -7.920 6.189 1.00 0.00 C ATOM 1015 OD1 ASP A 60 -5.872 -7.786 5.514 1.00 0.00 O ATOM 1016 OD2 ASP A 60 -4.784 -7.627 7.401 1.00 0.00 O ATOM 0 H ASP A 60 -1.471 -8.999 4.463 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.493 -7.166 3.823 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.883 -9.335 4.911 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.925 -8.856 6.297 1.00 0.00 H new ATOM 1021 N VAL A 61 -1.606 -6.286 6.385 1.00 0.00 N ATOM 1022 CA VAL A 61 -1.267 -5.147 7.233 1.00 0.00 C ATOM 1023 C VAL A 61 -0.741 -3.969 6.388 1.00 0.00 C ATOM 1024 O VAL A 61 -1.025 -2.800 6.683 1.00 0.00 O ATOM 1025 CB VAL A 61 -0.252 -5.524 8.358 1.00 0.00 C ATOM 1026 CG1 VAL A 61 1.140 -5.777 7.809 1.00 0.00 C ATOM 1027 CG2 VAL A 61 -0.218 -4.453 9.428 1.00 0.00 C ATOM 0 H VAL A 61 -1.047 -7.123 6.551 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.187 -4.835 7.728 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.597 -6.456 8.806 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.812 -6.036 8.627 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.105 -6.599 7.094 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.504 -4.878 7.311 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.495 -4.735 10.202 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.084 -3.505 8.984 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.209 -4.347 9.869 1.00 0.00 H new ATOM 1037 N VAL A 62 0.000 -4.287 5.325 1.00 0.00 N ATOM 1038 CA VAL A 62 0.502 -3.271 4.405 1.00 0.00 C ATOM 1039 C VAL A 62 -0.651 -2.667 3.619 1.00 0.00 C ATOM 1040 O VAL A 62 -0.719 -1.454 3.430 1.00 0.00 O ATOM 1041 CB VAL A 62 1.554 -3.862 3.428 1.00 0.00 C ATOM 1042 CG1 VAL A 62 1.874 -2.879 2.311 1.00 0.00 C ATOM 1043 CG2 VAL A 62 2.825 -4.234 4.178 1.00 0.00 C ATOM 0 H VAL A 62 0.265 -5.242 5.082 1.00 0.00 H new ATOM 0 HA VAL A 62 0.988 -2.494 4.995 1.00 0.00 H new ATOM 0 HB VAL A 62 1.131 -4.762 2.981 1.00 0.00 H new ATOM 0 HG11 VAL A 62 2.613 -3.318 1.641 1.00 0.00 H new ATOM 0 HG12 VAL A 62 0.965 -2.655 1.752 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.273 -1.959 2.739 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.552 -4.647 3.479 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.241 -3.345 4.652 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.593 -4.977 4.941 1.00 0.00 H new ATOM 1053 N CYS A 63 -1.577 -3.510 3.208 1.00 0.00 N ATOM 1054 CA CYS A 63 -2.729 -3.056 2.458 1.00 0.00 C ATOM 1055 C CYS A 63 -3.562 -2.104 3.313 1.00 0.00 C ATOM 1056 O CYS A 63 -4.056 -1.090 2.828 1.00 0.00 O ATOM 1057 CB CYS A 63 -3.577 -4.247 1.994 1.00 0.00 C ATOM 1058 SG CYS A 63 -4.966 -3.797 0.927 1.00 0.00 S ATOM 0 H CYS A 63 -1.553 -4.515 3.382 1.00 0.00 H new ATOM 0 HA CYS A 63 -2.383 -2.523 1.572 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -2.936 -4.949 1.461 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -3.961 -4.769 2.871 1.00 0.00 H new ATOM 0 HG CYS A 63 -5.618 -4.869 0.588 1.00 0.00 H new ATOM 1064 N ALA A 64 -3.683 -2.429 4.599 1.00 0.00 N ATOM 1065 CA ALA A 64 -4.446 -1.626 5.540 1.00 0.00 C ATOM 1066 C ALA A 64 -3.792 -0.268 5.786 1.00 0.00 C ATOM 1067 O ALA A 64 -4.465 0.762 5.753 1.00 0.00 O ATOM 1068 CB ALA A 64 -4.581 -2.376 6.852 1.00 0.00 C ATOM 0 H ALA A 64 -3.254 -3.256 5.013 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.431 -1.446 5.109 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.153 -1.774 7.558 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.096 -3.321 6.680 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -3.590 -2.573 7.262 1.00 0.00 H new ATOM 1074 N MET A 65 -2.484 -0.260 6.022 1.00 0.00 N ATOM 1075 CA MET A 65 -1.788 1.001 6.300 1.00 0.00 C ATOM 1076 C MET A 65 -1.777 1.891 5.063 1.00 0.00 C ATOM 1077 O MET A 65 -1.871 3.118 5.164 1.00 0.00 O ATOM 1078 CB MET A 65 -0.359 0.752 6.808 1.00 0.00 C ATOM 1079 CG MET A 65 0.602 0.240 5.754 1.00 0.00 C ATOM 1080 SD MET A 65 2.253 -0.070 6.400 1.00 0.00 S ATOM 1081 CE MET A 65 1.918 -1.429 7.508 1.00 0.00 C ATOM 0 H MET A 65 -1.891 -1.090 6.028 1.00 0.00 H new ATOM 0 HA MET A 65 -2.333 1.517 7.090 1.00 0.00 H new ATOM 0 HB2 MET A 65 0.034 1.682 7.219 1.00 0.00 H new ATOM 0 HB3 MET A 65 -0.398 0.033 7.626 1.00 0.00 H new ATOM 0 HG2 MET A 65 0.206 -0.681 5.326 1.00 0.00 H new ATOM 0 HG3 MET A 65 0.665 0.967 4.944 1.00 0.00 H new ATOM 0 HE1 MET A 65 2.078 -1.107 8.537 1.00 0.00 H new ATOM 0 HE2 MET A 65 0.884 -1.752 7.385 1.00 0.00 H new ATOM 0 HE3 MET A 65 2.587 -2.259 7.279 1.00 0.00 H new ATOM 1091 N ILE A 66 -1.672 1.266 3.901 1.00 0.00 N ATOM 1092 CA ILE A 66 -1.692 1.984 2.640 1.00 0.00 C ATOM 1093 C ILE A 66 -3.079 2.594 2.389 1.00 0.00 C ATOM 1094 O ILE A 66 -3.190 3.761 2.013 1.00 0.00 O ATOM 1095 CB ILE A 66 -1.255 1.057 1.448 1.00 0.00 C ATOM 1096 CG1 ILE A 66 0.257 1.197 1.166 1.00 0.00 C ATOM 1097 CG2 ILE A 66 -2.056 1.335 0.181 1.00 0.00 C ATOM 1098 CD1 ILE A 66 1.155 0.869 2.343 1.00 0.00 C ATOM 0 H ILE A 66 -1.571 0.255 3.807 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.969 2.797 2.702 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.464 0.031 1.752 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.519 0.544 0.334 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.460 2.219 0.846 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -1.719 0.671 -0.615 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.115 1.162 0.374 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.907 2.371 -0.123 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.198 0.995 2.051 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.927 1.538 3.172 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.987 -0.163 2.652 1.00 0.00 H new ATOM 1110 N GLU A 67 -4.129 1.821 2.656 1.00 0.00 N ATOM 1111 CA GLU A 67 -5.494 2.281 2.443 1.00 0.00 C ATOM 1112 C GLU A 67 -5.889 3.366 3.432 1.00 0.00 C ATOM 1113 O GLU A 67 -6.588 4.319 3.077 1.00 0.00 O ATOM 1114 CB GLU A 67 -6.477 1.114 2.503 1.00 0.00 C ATOM 1115 CG GLU A 67 -6.682 0.426 1.166 1.00 0.00 C ATOM 1116 CD GLU A 67 -7.487 1.272 0.200 1.00 0.00 C ATOM 1117 OE1 GLU A 67 -7.015 2.355 -0.201 1.00 0.00 O ATOM 1118 OE2 GLU A 67 -8.601 0.854 -0.168 1.00 0.00 O ATOM 0 H GLU A 67 -4.058 0.871 3.021 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.534 2.718 1.445 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.117 0.383 3.227 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.438 1.477 2.867 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.712 0.199 0.725 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.191 -0.525 1.324 1.00 0.00 H new ATOM 1125 N GLY A 68 -5.438 3.226 4.674 1.00 0.00 N ATOM 1126 CA GLY A 68 -5.756 4.208 5.689 1.00 0.00 C ATOM 1127 C GLY A 68 -5.154 5.557 5.372 1.00 0.00 C ATOM 1128 O GLY A 68 -5.833 6.589 5.442 1.00 0.00 O ATOM 0 H GLY A 68 -4.858 2.450 4.994 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -6.838 4.304 5.775 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.388 3.864 6.656 1.00 0.00 H new ATOM 1132 N ALA A 69 -3.874 5.546 5.003 1.00 0.00 N ATOM 1133 CA ALA A 69 -3.170 6.768 4.642 1.00 0.00 C ATOM 1134 C ALA A 69 -3.744 7.353 3.360 1.00 0.00 C ATOM 1135 O ALA A 69 -3.881 8.570 3.231 1.00 0.00 O ATOM 1136 CB ALA A 69 -1.677 6.506 4.494 1.00 0.00 C ATOM 0 H ALA A 69 -3.305 4.701 4.947 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.308 7.494 5.443 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.170 7.432 4.224 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.277 6.135 5.438 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.514 5.762 3.714 1.00 0.00 H new ATOM 1142 N GLN A 70 -4.096 6.478 2.420 1.00 0.00 N ATOM 1143 CA GLN A 70 -4.676 6.917 1.159 1.00 0.00 C ATOM 1144 C GLN A 70 -5.993 7.624 1.392 1.00 0.00 C ATOM 1145 O GLN A 70 -6.236 8.680 0.838 1.00 0.00 O ATOM 1146 CB GLN A 70 -4.881 5.761 0.185 1.00 0.00 C ATOM 1147 CG GLN A 70 -3.719 5.542 -0.764 1.00 0.00 C ATOM 1148 CD GLN A 70 -4.081 4.616 -1.906 1.00 0.00 C ATOM 1149 OE1 GLN A 70 -3.879 3.410 -1.833 1.00 0.00 O ATOM 1150 NE2 GLN A 70 -4.643 5.181 -2.962 1.00 0.00 N ATOM 0 H GLN A 70 -3.989 5.468 2.509 1.00 0.00 H new ATOM 0 HA GLN A 70 -3.965 7.611 0.711 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -5.050 4.846 0.753 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -5.783 5.946 -0.398 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -3.394 6.502 -1.166 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -2.876 5.125 -0.213 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -4.793 6.190 -2.981 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -4.926 4.608 -3.757 1.00 0.00 H new ATOM 1159 N GLY A 71 -6.828 7.043 2.245 1.00 0.00 N ATOM 1160 CA GLY A 71 -8.134 7.612 2.520 1.00 0.00 C ATOM 1161 C GLY A 71 -8.042 8.960 3.203 1.00 0.00 C ATOM 1162 O GLY A 71 -8.746 9.912 2.843 1.00 0.00 O ATOM 0 H GLY A 71 -6.622 6.183 2.754 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.686 7.718 1.586 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.701 6.926 3.149 1.00 0.00 H new ATOM 1166 N ALA A 72 -7.148 9.040 4.178 1.00 0.00 N ATOM 1167 CA ALA A 72 -6.952 10.249 4.954 1.00 0.00 C ATOM 1168 C ALA A 72 -6.439 11.374 4.072 1.00 0.00 C ATOM 1169 O ALA A 72 -7.049 12.449 3.983 1.00 0.00 O ATOM 1170 CB ALA A 72 -5.983 9.993 6.103 1.00 0.00 C ATOM 0 H ALA A 72 -6.540 8.268 4.451 1.00 0.00 H new ATOM 0 HA ALA A 72 -7.914 10.549 5.370 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -5.847 10.911 6.675 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -6.386 9.216 6.753 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -5.022 9.669 5.703 1.00 0.00 H new ATOM 1176 N LEU A 73 -5.321 11.110 3.409 1.00 0.00 N ATOM 1177 CA LEU A 73 -4.685 12.085 2.551 1.00 0.00 C ATOM 1178 C LEU A 73 -5.593 12.498 1.404 1.00 0.00 C ATOM 1179 O LEU A 73 -5.624 13.662 1.038 1.00 0.00 O ATOM 1180 CB LEU A 73 -3.375 11.532 2.000 1.00 0.00 C ATOM 1181 CG LEU A 73 -2.573 12.491 1.129 1.00 0.00 C ATOM 1182 CD1 LEU A 73 -2.041 13.655 1.948 1.00 0.00 C ATOM 1183 CD2 LEU A 73 -1.448 11.758 0.435 1.00 0.00 C ATOM 0 H LEU A 73 -4.835 10.214 3.454 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.479 12.969 3.155 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.751 11.221 2.838 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.595 10.637 1.418 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.237 12.898 0.367 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.472 14.324 1.302 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.875 14.200 2.391 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.393 13.277 2.739 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.885 12.457 -0.183 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.786 11.318 1.181 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.861 10.969 -0.194 1.00 0.00 H new ATOM 1195 N GLU A 74 -6.331 11.538 0.848 1.00 0.00 N ATOM 1196 CA GLU A 74 -7.248 11.804 -0.264 1.00 0.00 C ATOM 1197 C GLU A 74 -8.230 12.903 0.116 1.00 0.00 C ATOM 1198 O GLU A 74 -8.364 13.895 -0.587 1.00 0.00 O ATOM 1199 CB GLU A 74 -7.989 10.522 -0.641 1.00 0.00 C ATOM 1200 CG GLU A 74 -7.943 10.180 -2.126 1.00 0.00 C ATOM 1201 CD GLU A 74 -8.884 11.031 -2.969 1.00 0.00 C ATOM 1202 OE1 GLU A 74 -9.880 11.547 -2.427 1.00 0.00 O ATOM 1203 OE2 GLU A 74 -8.656 11.151 -4.192 1.00 0.00 O ATOM 0 H GLU A 74 -6.313 10.564 1.150 1.00 0.00 H new ATOM 0 HA GLU A 74 -6.676 12.142 -1.128 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -7.564 9.692 -0.076 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -9.031 10.616 -0.335 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -6.924 10.308 -2.490 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -8.199 9.129 -2.258 1.00 0.00 H new ATOM 1210 N ARG A 75 -8.888 12.727 1.253 1.00 0.00 N ATOM 1211 CA ARG A 75 -9.851 13.711 1.743 1.00 0.00 C ATOM 1212 C ARG A 75 -9.187 15.075 1.944 1.00 0.00 C ATOM 1213 O ARG A 75 -9.779 16.111 1.648 1.00 0.00 O ATOM 1214 CB ARG A 75 -10.471 13.237 3.052 1.00 0.00 C ATOM 1215 CG ARG A 75 -11.221 11.926 2.929 1.00 0.00 C ATOM 1216 CD ARG A 75 -11.805 11.501 4.260 1.00 0.00 C ATOM 1217 NE ARG A 75 -12.545 10.248 4.153 1.00 0.00 N ATOM 1218 CZ ARG A 75 -13.706 10.005 4.763 1.00 0.00 C ATOM 1219 NH1 ARG A 75 -14.266 10.933 5.538 1.00 0.00 N ATOM 1220 NH2 ARG A 75 -14.303 8.835 4.594 1.00 0.00 N ATOM 0 H ARG A 75 -8.775 11.912 1.856 1.00 0.00 H new ATOM 0 HA ARG A 75 -10.636 13.817 0.994 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -9.684 13.127 3.798 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -11.154 14.003 3.419 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -12.020 12.029 2.195 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -10.547 11.152 2.561 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -11.003 11.388 4.989 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -12.467 12.283 4.633 1.00 0.00 H new ATOM 0 HE ARG A 75 -12.148 9.509 3.573 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -13.807 11.835 5.667 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -15.154 10.742 6.002 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -13.875 8.125 4.000 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -15.191 8.644 5.058 1.00 0.00 H new ATOM 1234 N GLU A 76 -7.960 15.063 2.433 1.00 0.00 N ATOM 1235 CA GLU A 76 -7.224 16.300 2.674 1.00 0.00 C ATOM 1236 C GLU A 76 -6.830 16.977 1.362 1.00 0.00 C ATOM 1237 O GLU A 76 -7.143 18.146 1.153 1.00 0.00 O ATOM 1238 CB GLU A 76 -5.990 16.035 3.536 1.00 0.00 C ATOM 1239 CG GLU A 76 -6.319 15.526 4.935 1.00 0.00 C ATOM 1240 CD GLU A 76 -7.015 16.567 5.801 1.00 0.00 C ATOM 1241 OE1 GLU A 76 -8.097 17.052 5.412 1.00 0.00 O ATOM 1242 OE2 GLU A 76 -6.486 16.892 6.886 1.00 0.00 O ATOM 0 H GLU A 76 -7.449 14.213 2.672 1.00 0.00 H new ATOM 0 HA GLU A 76 -7.883 16.979 3.214 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.356 15.305 3.033 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.412 16.955 3.620 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.956 14.645 4.854 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.399 15.210 5.426 1.00 0.00 H new ATOM 1249 N LEU A 77 -6.145 16.254 0.483 1.00 0.00 N ATOM 1250 CA LEU A 77 -5.719 16.824 -0.794 1.00 0.00 C ATOM 1251 C LEU A 77 -6.898 17.276 -1.645 1.00 0.00 C ATOM 1252 O LEU A 77 -6.763 18.165 -2.477 1.00 0.00 O ATOM 1253 CB LEU A 77 -4.761 15.874 -1.574 1.00 0.00 C ATOM 1254 CG LEU A 77 -5.242 14.439 -1.874 1.00 0.00 C ATOM 1255 CD1 LEU A 77 -6.294 14.416 -2.974 1.00 0.00 C ATOM 1256 CD2 LEU A 77 -4.055 13.561 -2.257 1.00 0.00 C ATOM 0 H LEU A 77 -5.874 15.281 0.627 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.144 17.719 -0.557 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.521 16.350 -2.525 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.831 15.802 -1.010 1.00 0.00 H new ATOM 0 HG LEU A 77 -5.705 14.045 -0.969 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.607 13.388 -3.156 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -7.155 15.009 -2.666 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.874 14.835 -3.888 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.403 12.550 -2.467 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.571 13.970 -3.144 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.341 13.535 -1.434 1.00 0.00 H new ATOM 1268 N LYS A 78 -8.061 16.696 -1.399 1.00 0.00 N ATOM 1269 CA LYS A 78 -9.250 17.047 -2.149 1.00 0.00 C ATOM 1270 C LYS A 78 -9.724 18.451 -1.803 1.00 0.00 C ATOM 1271 O LYS A 78 -10.494 19.065 -2.543 1.00 0.00 O ATOM 1272 CB LYS A 78 -10.369 16.047 -1.919 1.00 0.00 C ATOM 1273 CG LYS A 78 -10.250 14.811 -2.789 1.00 0.00 C ATOM 1274 CD LYS A 78 -10.442 15.142 -4.260 1.00 0.00 C ATOM 1275 CE LYS A 78 -10.226 13.920 -5.133 1.00 0.00 C ATOM 1276 NZ LYS A 78 -11.034 12.768 -4.677 1.00 0.00 N ATOM 0 H LYS A 78 -8.205 15.981 -0.686 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.981 17.021 -3.205 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.371 15.748 -0.871 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -11.326 16.531 -2.114 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -9.271 14.355 -2.643 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -10.993 14.075 -2.481 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -11.447 15.532 -4.419 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -9.745 15.928 -4.552 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -10.485 14.160 -6.164 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -9.170 13.649 -5.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -10.924 11.980 -5.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -10.711 12.469 -3.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -12.036 13.044 -4.629 1.00 0.00 H new ATOM 1290 N ARG A 79 -9.279 18.938 -0.662 1.00 0.00 N ATOM 1291 CA ARG A 79 -9.686 20.239 -0.164 1.00 0.00 C ATOM 1292 C ARG A 79 -8.922 21.356 -0.860 1.00 0.00 C ATOM 1293 O ARG A 79 -9.311 22.524 -0.794 1.00 0.00 O ATOM 1294 CB ARG A 79 -9.466 20.297 1.343 1.00 0.00 C ATOM 1295 CG ARG A 79 -10.282 19.270 2.113 1.00 0.00 C ATOM 1296 CD ARG A 79 -9.815 19.153 3.549 1.00 0.00 C ATOM 1297 NE ARG A 79 -9.793 20.444 4.231 1.00 0.00 N ATOM 1298 CZ ARG A 79 -8.997 20.727 5.259 1.00 0.00 C ATOM 1299 NH1 ARG A 79 -8.206 19.789 5.768 1.00 0.00 N ATOM 1300 NH2 ARG A 79 -9.007 21.943 5.792 1.00 0.00 N ATOM 0 H ARG A 79 -8.626 18.445 -0.054 1.00 0.00 H new ATOM 0 HA ARG A 79 -10.745 20.381 -0.379 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -8.408 20.142 1.554 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -9.720 21.295 1.702 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -11.335 19.552 2.094 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -10.203 18.299 1.623 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -10.472 18.471 4.088 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -8.816 18.716 3.570 1.00 0.00 H new ATOM 0 HE ARG A 79 -10.426 21.172 3.900 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -8.208 18.850 5.371 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -7.597 20.008 6.556 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -9.625 22.661 5.413 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -8.397 22.159 6.580 1.00 0.00 H new ATOM 1314 N THR A 80 -7.850 20.993 -1.527 1.00 0.00 N ATOM 1315 CA THR A 80 -7.044 21.946 -2.249 1.00 0.00 C ATOM 1316 C THR A 80 -7.662 22.208 -3.621 1.00 0.00 C ATOM 1317 O THR A 80 -8.182 21.286 -4.254 1.00 0.00 O ATOM 1318 CB THR A 80 -5.612 21.413 -2.418 1.00 0.00 C ATOM 1319 OG1 THR A 80 -5.147 20.896 -1.161 1.00 0.00 O ATOM 1320 CG2 THR A 80 -4.672 22.515 -2.889 1.00 0.00 C ATOM 0 H THR A 80 -7.515 20.031 -1.583 1.00 0.00 H new ATOM 0 HA THR A 80 -7.008 22.877 -1.684 1.00 0.00 H new ATOM 0 HB THR A 80 -5.622 20.623 -3.169 1.00 0.00 H new ATOM 0 HG1 THR A 80 -4.207 21.141 -1.034 1.00 0.00 H new ATOM 0 HG21 THR A 80 -3.666 22.112 -3.001 1.00 0.00 H new ATOM 0 HG22 THR A 80 -5.016 22.902 -3.848 1.00 0.00 H new ATOM 0 HG23 THR A 80 -4.660 23.321 -2.156 1.00 0.00 H new ATOM 1328 N ASP A 81 -7.643 23.470 -4.053 1.00 0.00 N ATOM 1329 CA ASP A 81 -8.185 23.874 -5.356 1.00 0.00 C ATOM 1330 C ASP A 81 -7.686 22.976 -6.469 1.00 0.00 C ATOM 1331 O ASP A 81 -6.504 22.622 -6.509 1.00 0.00 O ATOM 1332 CB ASP A 81 -7.771 25.313 -5.672 1.00 0.00 C ATOM 1333 CG ASP A 81 -8.206 26.298 -4.621 1.00 0.00 C ATOM 1334 OD1 ASP A 81 -7.515 26.414 -3.586 1.00 0.00 O ATOM 1335 OD2 ASP A 81 -9.236 26.973 -4.827 1.00 0.00 O ATOM 0 H ASP A 81 -7.253 24.242 -3.512 1.00 0.00 H new ATOM 0 HA ASP A 81 -9.270 23.793 -5.296 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -6.687 25.358 -5.777 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -8.196 25.604 -6.632 1.00 0.00 H new ATOM 1340 N LEU A 82 -8.583 22.601 -7.369 1.00 0.00 N ATOM 1341 CA LEU A 82 -8.218 21.782 -8.509 1.00 0.00 C ATOM 1342 C LEU A 82 -7.403 22.555 -9.548 1.00 0.00 C ATOM 1343 O LEU A 82 -7.886 22.905 -10.630 1.00 0.00 O ATOM 1344 CB LEU A 82 -9.452 21.083 -9.162 1.00 0.00 C ATOM 1345 CG LEU A 82 -10.811 21.851 -9.241 1.00 0.00 C ATOM 1346 CD1 LEU A 82 -11.615 21.719 -7.950 1.00 0.00 C ATOM 1347 CD2 LEU A 82 -10.632 23.323 -9.617 1.00 0.00 C ATOM 0 H LEU A 82 -9.571 22.853 -7.329 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.574 20.995 -8.116 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -9.172 20.806 -10.178 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -9.630 20.156 -8.617 1.00 0.00 H new ATOM 0 HG LEU A 82 -11.378 21.377 -10.043 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -12.552 22.267 -8.047 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.828 20.667 -7.760 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -11.040 22.128 -7.120 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -11.607 23.809 -9.658 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -10.011 23.817 -8.869 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -10.150 23.393 -10.592 1.00 0.00 H new ATOM 1359 N ASN A 83 -6.166 22.810 -9.200 1.00 0.00 N ATOM 1360 CA ASN A 83 -5.266 23.554 -10.036 1.00 0.00 C ATOM 1361 C ASN A 83 -4.765 22.688 -11.168 1.00 0.00 C ATOM 1362 O ASN A 83 -4.886 21.479 -11.109 1.00 0.00 O ATOM 1363 CB ASN A 83 -4.128 24.047 -9.229 1.00 0.00 C ATOM 1364 CG ASN A 83 -3.514 25.224 -9.889 1.00 0.00 C ATOM 1365 OD1 ASN A 83 -4.201 26.056 -10.477 1.00 0.00 O ATOM 1366 ND2 ASN A 83 -2.258 25.281 -9.855 1.00 0.00 N ATOM 0 H ASN A 83 -5.755 22.502 -8.319 1.00 0.00 H new ATOM 0 HA ASN A 83 -5.798 24.405 -10.461 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -4.469 24.317 -8.230 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -3.386 23.257 -9.110 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -1.769 26.041 -10.328 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -1.728 24.567 -9.354 1.00 0.00 H new ATOM 1373 N ILE A 84 -4.188 23.303 -12.185 1.00 0.00 N ATOM 1374 CA ILE A 84 -3.737 22.569 -13.369 1.00 0.00 C ATOM 1375 C ILE A 84 -2.736 21.464 -13.003 1.00 0.00 C ATOM 1376 O ILE A 84 -2.951 20.281 -13.313 1.00 0.00 O ATOM 1377 CB ILE A 84 -3.124 23.521 -14.452 1.00 0.00 C ATOM 1378 CG1 ILE A 84 -4.230 24.307 -15.190 1.00 0.00 C ATOM 1379 CG2 ILE A 84 -2.281 22.740 -15.457 1.00 0.00 C ATOM 1380 CD1 ILE A 84 -5.023 25.261 -14.319 1.00 0.00 C ATOM 0 H ILE A 84 -4.018 24.308 -12.221 1.00 0.00 H new ATOM 0 HA ILE A 84 -4.623 22.100 -13.798 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.478 24.231 -13.935 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -3.773 24.873 -16.002 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -4.919 23.596 -15.646 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.868 23.426 -16.197 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -1.467 22.236 -14.936 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -2.905 21.999 -15.957 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -5.775 25.767 -14.924 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -5.514 24.703 -13.522 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -4.351 26.000 -13.884 1.00 0.00 H new ATOM 1392 N LEU A 85 -1.669 21.846 -12.310 1.00 0.00 N ATOM 1393 CA LEU A 85 -0.634 20.903 -11.932 1.00 0.00 C ATOM 1394 C LEU A 85 -1.145 19.947 -10.868 1.00 0.00 C ATOM 1395 O LEU A 85 -1.048 18.735 -11.017 1.00 0.00 O ATOM 1396 CB LEU A 85 0.605 21.651 -11.420 1.00 0.00 C ATOM 1397 CG LEU A 85 1.769 20.773 -10.939 1.00 0.00 C ATOM 1398 CD1 LEU A 85 2.346 19.959 -12.087 1.00 0.00 C ATOM 1399 CD2 LEU A 85 2.849 21.626 -10.291 1.00 0.00 C ATOM 0 H LEU A 85 -1.502 22.803 -12.001 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.357 20.324 -12.813 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.970 22.298 -12.217 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.300 22.299 -10.598 1.00 0.00 H new ATOM 0 HG LEU A 85 1.384 20.078 -10.192 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.169 19.345 -11.720 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.571 19.315 -12.502 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.712 20.632 -12.862 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.666 20.986 -9.956 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.227 22.347 -11.016 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.430 22.156 -9.436 1.00 0.00 H new ATOM 1411 N GLU A 86 -1.706 20.503 -9.805 1.00 0.00 N ATOM 1412 CA GLU A 86 -2.221 19.706 -8.704 1.00 0.00 C ATOM 1413 C GLU A 86 -3.243 18.678 -9.169 1.00 0.00 C ATOM 1414 O GLU A 86 -3.139 17.513 -8.819 1.00 0.00 O ATOM 1415 CB GLU A 86 -2.816 20.587 -7.596 1.00 0.00 C ATOM 1416 CG GLU A 86 -1.792 21.462 -6.880 1.00 0.00 C ATOM 1417 CD GLU A 86 -1.605 22.819 -7.529 1.00 0.00 C ATOM 1418 OE1 GLU A 86 -1.200 22.883 -8.710 1.00 0.00 O ATOM 1419 OE2 GLU A 86 -1.852 23.837 -6.849 1.00 0.00 O ATOM 0 H GLU A 86 -1.816 21.510 -9.682 1.00 0.00 H new ATOM 0 HA GLU A 86 -1.369 19.166 -8.291 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -3.585 21.226 -8.029 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -3.308 19.948 -6.863 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -2.104 21.602 -5.845 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.834 20.943 -6.857 1.00 0.00 H new ATOM 1426 N ARG A 87 -4.204 19.093 -9.987 1.00 0.00 N ATOM 1427 CA ARG A 87 -5.246 18.182 -10.445 1.00 0.00 C ATOM 1428 C ARG A 87 -4.647 17.038 -11.246 1.00 0.00 C ATOM 1429 O ARG A 87 -5.026 15.878 -11.077 1.00 0.00 O ATOM 1430 CB ARG A 87 -6.296 18.918 -11.269 1.00 0.00 C ATOM 1431 CG ARG A 87 -7.516 18.082 -11.593 1.00 0.00 C ATOM 1432 CD ARG A 87 -8.544 18.883 -12.363 1.00 0.00 C ATOM 1433 NE ARG A 87 -9.800 18.154 -12.507 1.00 0.00 N ATOM 1434 CZ ARG A 87 -10.950 18.703 -12.882 1.00 0.00 C ATOM 1435 NH1 ARG A 87 -11.009 19.998 -13.183 1.00 0.00 N ATOM 1436 NH2 ARG A 87 -12.045 17.954 -12.962 1.00 0.00 N ATOM 0 H ARG A 87 -4.283 20.045 -10.344 1.00 0.00 H new ATOM 0 HA ARG A 87 -5.737 17.767 -9.565 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.612 19.809 -10.726 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.842 19.257 -12.200 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -7.218 17.212 -12.178 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -7.960 17.709 -10.670 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -8.728 19.827 -11.850 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -8.150 19.128 -13.350 1.00 0.00 H new ATOM 0 HE ARG A 87 -9.794 17.154 -12.306 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -10.169 20.574 -13.126 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -11.894 20.415 -13.470 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -12.001 16.960 -12.736 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -12.929 18.373 -13.250 1.00 0.00 H new ATOM 1450 N PHE A 88 -3.693 17.378 -12.111 1.00 0.00 N ATOM 1451 CA PHE A 88 -3.006 16.389 -12.929 1.00 0.00 C ATOM 1452 C PHE A 88 -2.220 15.414 -12.052 1.00 0.00 C ATOM 1453 O PHE A 88 -2.278 14.196 -12.250 1.00 0.00 O ATOM 1454 CB PHE A 88 -2.075 17.086 -13.930 1.00 0.00 C ATOM 1455 CG PHE A 88 -1.149 16.150 -14.647 1.00 0.00 C ATOM 1456 CD1 PHE A 88 -1.634 15.264 -15.594 1.00 0.00 C ATOM 1457 CD2 PHE A 88 0.206 16.153 -14.369 1.00 0.00 C ATOM 1458 CE1 PHE A 88 -0.784 14.400 -16.246 1.00 0.00 C ATOM 1459 CE2 PHE A 88 1.061 15.292 -15.020 1.00 0.00 C ATOM 1460 CZ PHE A 88 0.566 14.415 -15.960 1.00 0.00 C ATOM 0 H PHE A 88 -3.379 18.337 -12.261 1.00 0.00 H new ATOM 0 HA PHE A 88 -3.751 15.819 -13.484 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -2.679 17.618 -14.665 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -1.484 17.834 -13.402 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -2.689 15.251 -15.823 1.00 0.00 H new ATOM 0 HD2 PHE A 88 0.598 16.839 -13.633 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -1.173 13.711 -16.981 1.00 0.00 H new ATOM 0 HE2 PHE A 88 2.117 15.304 -14.794 1.00 0.00 H new ATOM 0 HZ PHE A 88 1.234 13.739 -16.473 1.00 0.00 H new ATOM 1470 N ASN A 89 -1.501 15.960 -11.084 1.00 0.00 N ATOM 1471 CA ASN A 89 -0.714 15.151 -10.156 1.00 0.00 C ATOM 1472 C ASN A 89 -1.618 14.197 -9.395 1.00 0.00 C ATOM 1473 O ASN A 89 -1.323 13.011 -9.276 1.00 0.00 O ATOM 1474 CB ASN A 89 0.071 16.033 -9.175 1.00 0.00 C ATOM 1475 CG ASN A 89 1.283 16.702 -9.807 1.00 0.00 C ATOM 1476 OD1 ASN A 89 1.313 16.962 -11.006 1.00 0.00 O ATOM 1477 ND2 ASN A 89 2.289 16.987 -8.998 1.00 0.00 N ATOM 0 H ASN A 89 -1.444 16.965 -10.917 1.00 0.00 H new ATOM 0 HA ASN A 89 0.004 14.574 -10.739 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -0.592 16.800 -8.776 1.00 0.00 H new ATOM 0 HB3 ASN A 89 0.398 15.425 -8.332 1.00 0.00 H new ATOM 0 HD21 ASN A 89 3.127 17.438 -9.365 1.00 0.00 H new ATOM 0 HD22 ASN A 89 2.227 16.756 -8.007 1.00 0.00 H new ATOM 1484 N TYR A 90 -2.717 14.730 -8.876 1.00 0.00 N ATOM 1485 CA TYR A 90 -3.716 13.933 -8.166 1.00 0.00 C ATOM 1486 C TYR A 90 -4.211 12.792 -9.046 1.00 0.00 C ATOM 1487 O TYR A 90 -4.230 11.636 -8.629 1.00 0.00 O ATOM 1488 CB TYR A 90 -4.902 14.812 -7.737 1.00 0.00 C ATOM 1489 CG TYR A 90 -4.596 15.827 -6.649 1.00 0.00 C ATOM 1490 CD1 TYR A 90 -3.289 16.138 -6.295 1.00 0.00 C ATOM 1491 CD2 TYR A 90 -5.621 16.476 -5.984 1.00 0.00 C ATOM 1492 CE1 TYR A 90 -3.015 17.067 -5.315 1.00 0.00 C ATOM 1493 CE2 TYR A 90 -5.357 17.405 -5.002 1.00 0.00 C ATOM 1494 CZ TYR A 90 -4.052 17.698 -4.671 1.00 0.00 C ATOM 1495 OH TYR A 90 -3.781 18.629 -3.693 1.00 0.00 O ATOM 0 H TYR A 90 -2.943 15.723 -8.934 1.00 0.00 H new ATOM 0 HA TYR A 90 -3.247 13.515 -7.275 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -5.275 15.343 -8.613 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -5.707 14.164 -7.391 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -2.472 15.642 -6.798 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -6.646 16.250 -6.239 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -1.992 17.298 -5.055 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -6.170 17.902 -4.493 1.00 0.00 H new ATOM 0 HH TYR A 90 -4.562 18.726 -3.109 1.00 0.00 H new ATOM 1505 N GLU A 91 -4.596 13.138 -10.272 1.00 0.00 N ATOM 1506 CA GLU A 91 -5.112 12.181 -11.243 1.00 0.00 C ATOM 1507 C GLU A 91 -4.094 11.066 -11.498 1.00 0.00 C ATOM 1508 O GLU A 91 -4.426 9.877 -11.428 1.00 0.00 O ATOM 1509 CB GLU A 91 -5.431 12.921 -12.552 1.00 0.00 C ATOM 1510 CG GLU A 91 -6.554 12.302 -13.386 1.00 0.00 C ATOM 1511 CD GLU A 91 -6.277 10.878 -13.820 1.00 0.00 C ATOM 1512 OE1 GLU A 91 -5.361 10.668 -14.648 1.00 0.00 O ATOM 1513 OE2 GLU A 91 -6.990 9.957 -13.352 1.00 0.00 O ATOM 0 H GLU A 91 -4.558 14.096 -10.620 1.00 0.00 H new ATOM 0 HA GLU A 91 -6.019 11.723 -10.849 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -5.700 13.950 -12.314 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -4.527 12.960 -13.159 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -7.478 12.323 -12.808 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.718 12.917 -14.271 1.00 0.00 H new ATOM 1520 N GLU A 92 -2.850 11.451 -11.770 1.00 0.00 N ATOM 1521 CA GLU A 92 -1.809 10.485 -12.078 1.00 0.00 C ATOM 1522 C GLU A 92 -1.474 9.624 -10.865 1.00 0.00 C ATOM 1523 O GLU A 92 -1.277 8.412 -10.987 1.00 0.00 O ATOM 1524 CB GLU A 92 -0.556 11.178 -12.629 1.00 0.00 C ATOM 1525 CG GLU A 92 0.519 10.208 -13.101 1.00 0.00 C ATOM 1526 CD GLU A 92 1.635 10.890 -13.864 1.00 0.00 C ATOM 1527 OE1 GLU A 92 2.528 11.471 -13.226 1.00 0.00 O ATOM 1528 OE2 GLU A 92 1.630 10.824 -15.116 1.00 0.00 O ATOM 0 H GLU A 92 -2.542 12.423 -11.782 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.193 9.824 -12.855 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -0.843 11.822 -13.460 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -0.138 11.823 -11.856 1.00 0.00 H new ATOM 0 HG2 GLU A 92 0.939 9.691 -12.238 1.00 0.00 H new ATOM 0 HG3 GLU A 92 0.063 9.449 -13.736 1.00 0.00 H new ATOM 1535 N ALA A 93 -1.434 10.251 -9.685 1.00 0.00 N ATOM 1536 CA ALA A 93 -1.142 9.539 -8.451 1.00 0.00 C ATOM 1537 C ALA A 93 -2.228 8.516 -8.179 1.00 0.00 C ATOM 1538 O ALA A 93 -1.949 7.373 -7.811 1.00 0.00 O ATOM 1539 CB ALA A 93 -1.020 10.510 -7.286 1.00 0.00 C ATOM 0 H ALA A 93 -1.601 11.250 -9.565 1.00 0.00 H new ATOM 0 HA ALA A 93 -0.188 9.023 -8.561 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -0.801 9.957 -6.373 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.214 11.216 -7.484 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -1.957 11.053 -7.166 1.00 0.00 H new ATOM 1545 N GLN A 94 -3.474 8.935 -8.371 1.00 0.00 N ATOM 1546 CA GLN A 94 -4.617 8.059 -8.198 1.00 0.00 C ATOM 1547 C GLN A 94 -4.597 6.935 -9.213 1.00 0.00 C ATOM 1548 O GLN A 94 -5.015 5.822 -8.920 1.00 0.00 O ATOM 1549 CB GLN A 94 -5.924 8.847 -8.283 1.00 0.00 C ATOM 1550 CG GLN A 94 -6.368 9.425 -6.949 1.00 0.00 C ATOM 1551 CD GLN A 94 -6.934 8.364 -6.017 1.00 0.00 C ATOM 1552 OE1 GLN A 94 -6.583 7.188 -6.100 1.00 0.00 O ATOM 1553 NE2 GLN A 94 -7.795 8.771 -5.117 1.00 0.00 N ATOM 0 H GLN A 94 -3.715 9.886 -8.649 1.00 0.00 H new ATOM 0 HA GLN A 94 -4.554 7.615 -7.204 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -5.804 9.659 -9.001 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -6.708 8.195 -8.667 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -5.521 9.913 -6.467 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -7.122 10.193 -7.122 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -8.064 9.754 -5.076 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -8.196 8.105 -4.457 1.00 0.00 H new ATOM 1562 N THR A 95 -4.116 7.231 -10.406 1.00 0.00 N ATOM 1563 CA THR A 95 -3.984 6.220 -11.429 1.00 0.00 C ATOM 1564 C THR A 95 -2.991 5.140 -10.990 1.00 0.00 C ATOM 1565 O THR A 95 -3.304 3.944 -11.023 1.00 0.00 O ATOM 1566 CB THR A 95 -3.524 6.825 -12.775 1.00 0.00 C ATOM 1567 OG1 THR A 95 -4.472 7.813 -13.215 1.00 0.00 O ATOM 1568 CG2 THR A 95 -3.396 5.739 -13.842 1.00 0.00 C ATOM 0 H THR A 95 -3.812 8.163 -10.687 1.00 0.00 H new ATOM 0 HA THR A 95 -4.969 5.775 -11.572 1.00 0.00 H new ATOM 0 HB THR A 95 -2.549 7.289 -12.626 1.00 0.00 H new ATOM 0 HG1 THR A 95 -4.407 8.606 -12.643 1.00 0.00 H new ATOM 0 HG21 THR A 95 -3.071 6.188 -14.781 1.00 0.00 H new ATOM 0 HG22 THR A 95 -2.663 4.998 -13.521 1.00 0.00 H new ATOM 0 HG23 THR A 95 -4.362 5.255 -13.986 1.00 0.00 H new ATOM 1576 N LEU A 96 -1.816 5.562 -10.520 1.00 0.00 N ATOM 1577 CA LEU A 96 -0.779 4.620 -10.140 1.00 0.00 C ATOM 1578 C LEU A 96 -1.163 3.850 -8.887 1.00 0.00 C ATOM 1579 O LEU A 96 -0.887 2.654 -8.779 1.00 0.00 O ATOM 1580 CB LEU A 96 0.560 5.328 -9.916 1.00 0.00 C ATOM 1581 CG LEU A 96 1.119 6.101 -11.117 1.00 0.00 C ATOM 1582 CD1 LEU A 96 2.421 6.794 -10.748 1.00 0.00 C ATOM 1583 CD2 LEU A 96 1.329 5.172 -12.306 1.00 0.00 C ATOM 0 H LEU A 96 -1.566 6.543 -10.396 1.00 0.00 H new ATOM 0 HA LEU A 96 -0.671 3.916 -10.965 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.447 6.022 -9.083 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.296 4.583 -9.613 1.00 0.00 H new ATOM 0 HG LEU A 96 0.391 6.861 -11.400 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.802 7.337 -11.613 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.242 7.493 -9.931 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.153 6.050 -10.435 1.00 0.00 H new ATOM 0 HD21 LEU A 96 1.726 5.741 -13.147 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.034 4.387 -12.034 1.00 0.00 H new ATOM 0 HD23 LEU A 96 0.377 4.723 -12.589 1.00 0.00 H new ATOM 1595 N SER A 97 -1.796 4.532 -7.940 1.00 0.00 N ATOM 1596 CA SER A 97 -2.201 3.893 -6.703 1.00 0.00 C ATOM 1597 C SER A 97 -3.189 2.765 -6.966 1.00 0.00 C ATOM 1598 O SER A 97 -3.064 1.675 -6.403 1.00 0.00 O ATOM 1599 CB SER A 97 -2.757 4.913 -5.709 1.00 0.00 C ATOM 1600 OG SER A 97 -3.652 5.803 -6.336 1.00 0.00 O ATOM 0 H SER A 97 -2.037 5.521 -8.008 1.00 0.00 H new ATOM 0 HA SER A 97 -1.315 3.450 -6.249 1.00 0.00 H new ATOM 0 HB2 SER A 97 -3.266 4.393 -4.898 1.00 0.00 H new ATOM 0 HB3 SER A 97 -1.936 5.474 -5.262 1.00 0.00 H new ATOM 0 HG SER A 97 -3.146 6.495 -6.811 1.00 0.00 H new ATOM 1606 N LYS A 98 -4.166 3.028 -7.851 1.00 0.00 N ATOM 1607 CA LYS A 98 -5.151 2.025 -8.237 1.00 0.00 C ATOM 1608 C LYS A 98 -4.467 0.834 -8.892 1.00 0.00 C ATOM 1609 O LYS A 98 -4.909 -0.309 -8.744 1.00 0.00 O ATOM 1610 CB LYS A 98 -6.171 2.621 -9.215 1.00 0.00 C ATOM 1611 CG LYS A 98 -7.109 3.666 -8.628 1.00 0.00 C ATOM 1612 CD LYS A 98 -8.080 4.164 -9.692 1.00 0.00 C ATOM 1613 CE LYS A 98 -8.992 5.262 -9.169 1.00 0.00 C ATOM 1614 NZ LYS A 98 -8.227 6.449 -8.714 1.00 0.00 N ATOM 0 H LYS A 98 -4.288 3.931 -8.309 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.667 1.695 -7.335 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -5.630 3.071 -10.048 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -6.771 1.809 -9.626 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -7.663 3.239 -7.792 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -6.531 4.502 -8.233 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -7.518 4.538 -10.548 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -8.685 3.330 -10.048 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -9.689 5.558 -9.953 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -9.588 4.876 -8.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -8.552 7.291 -9.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -8.378 6.589 -7.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -7.214 6.300 -8.897 1.00 0.00 H new ATOM 1628 N ILE A 99 -3.392 1.102 -9.631 1.00 0.00 N ATOM 1629 CA ILE A 99 -2.640 0.041 -10.276 1.00 0.00 C ATOM 1630 C ILE A 99 -1.965 -0.830 -9.229 1.00 0.00 C ATOM 1631 O ILE A 99 -2.062 -2.055 -9.262 1.00 0.00 O ATOM 1632 CB ILE A 99 -1.564 0.589 -11.239 1.00 0.00 C ATOM 1633 CG1 ILE A 99 -2.213 1.410 -12.355 1.00 0.00 C ATOM 1634 CG2 ILE A 99 -0.751 -0.560 -11.827 1.00 0.00 C ATOM 1635 CD1 ILE A 99 -1.217 2.088 -13.271 1.00 0.00 C ATOM 0 H ILE A 99 -3.028 2.041 -9.794 1.00 0.00 H new ATOM 0 HA ILE A 99 -3.351 -0.545 -10.858 1.00 0.00 H new ATOM 0 HB ILE A 99 -0.894 1.241 -10.679 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -2.853 0.757 -12.949 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.857 2.168 -11.909 1.00 0.00 H new ATOM 0 HG21 ILE A 99 0.004 -0.162 -12.504 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -0.263 -1.110 -11.022 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -1.413 -1.231 -12.375 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -1.751 2.651 -14.036 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -0.593 2.767 -12.691 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -0.589 1.335 -13.747 1.00 0.00 H new ATOM 1647 N LEU A 100 -1.297 -0.168 -8.283 1.00 0.00 N ATOM 1648 CA LEU A 100 -0.589 -0.851 -7.213 1.00 0.00 C ATOM 1649 C LEU A 100 -1.535 -1.721 -6.405 1.00 0.00 C ATOM 1650 O LEU A 100 -1.267 -2.891 -6.183 1.00 0.00 O ATOM 1651 CB LEU A 100 0.124 0.153 -6.297 1.00 0.00 C ATOM 1652 CG LEU A 100 1.233 0.987 -6.950 1.00 0.00 C ATOM 1653 CD1 LEU A 100 1.843 1.947 -5.942 1.00 0.00 C ATOM 1654 CD2 LEU A 100 2.306 0.086 -7.548 1.00 0.00 C ATOM 0 H LEU A 100 -1.235 0.849 -8.242 1.00 0.00 H new ATOM 0 HA LEU A 100 0.163 -1.493 -7.671 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -0.622 0.834 -5.887 1.00 0.00 H new ATOM 0 HB3 LEU A 100 0.554 -0.393 -5.457 1.00 0.00 H new ATOM 0 HG LEU A 100 0.790 1.570 -7.757 1.00 0.00 H new ATOM 0 HD11 LEU A 100 2.628 2.530 -6.424 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.071 2.618 -5.566 1.00 0.00 H new ATOM 0 HD13 LEU A 100 2.268 1.382 -5.112 1.00 0.00 H new ATOM 0 HD21 LEU A 100 3.082 0.699 -8.006 1.00 0.00 H new ATOM 0 HD22 LEU A 100 2.745 -0.528 -6.762 1.00 0.00 H new ATOM 0 HD23 LEU A 100 1.859 -0.559 -8.305 1.00 0.00 H new ATOM 1666 N LEU A 101 -2.662 -1.144 -5.992 1.00 0.00 N ATOM 1667 CA LEU A 101 -3.664 -1.874 -5.211 1.00 0.00 C ATOM 1668 C LEU A 101 -4.116 -3.129 -5.946 1.00 0.00 C ATOM 1669 O LEU A 101 -4.267 -4.191 -5.338 1.00 0.00 O ATOM 1670 CB LEU A 101 -4.873 -0.981 -4.926 1.00 0.00 C ATOM 1671 CG LEU A 101 -4.597 0.273 -4.095 1.00 0.00 C ATOM 1672 CD1 LEU A 101 -5.846 1.129 -3.999 1.00 0.00 C ATOM 1673 CD2 LEU A 101 -4.099 -0.100 -2.705 1.00 0.00 C ATOM 0 H LEU A 101 -2.906 -0.172 -6.184 1.00 0.00 H new ATOM 0 HA LEU A 101 -3.205 -2.168 -4.267 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -5.306 -0.674 -5.878 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -5.626 -1.576 -4.410 1.00 0.00 H new ATOM 0 HG LEU A 101 -3.818 0.850 -4.593 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -5.633 2.018 -3.405 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -6.160 1.428 -4.999 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -6.643 0.557 -3.524 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -3.909 0.807 -2.131 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -4.854 -0.700 -2.197 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -3.177 -0.675 -2.791 1.00 0.00 H new ATOM 1685 N LYS A 102 -4.304 -3.009 -7.252 1.00 0.00 N ATOM 1686 CA LYS A 102 -4.705 -4.149 -8.058 1.00 0.00 C ATOM 1687 C LYS A 102 -3.594 -5.185 -8.144 1.00 0.00 C ATOM 1688 O LYS A 102 -3.873 -6.384 -8.192 1.00 0.00 O ATOM 1689 CB LYS A 102 -5.138 -3.722 -9.463 1.00 0.00 C ATOM 1690 CG LYS A 102 -6.525 -3.098 -9.523 1.00 0.00 C ATOM 1691 CD LYS A 102 -7.018 -2.974 -10.959 1.00 0.00 C ATOM 1692 CE LYS A 102 -6.188 -1.987 -11.764 1.00 0.00 C ATOM 1693 NZ LYS A 102 -6.322 -0.606 -11.249 1.00 0.00 N ATOM 0 H LYS A 102 -4.186 -2.139 -7.772 1.00 0.00 H new ATOM 0 HA LYS A 102 -5.562 -4.603 -7.561 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -4.413 -3.008 -9.854 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -5.114 -4.592 -10.119 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -7.224 -3.706 -8.948 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -6.502 -2.112 -9.058 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -6.985 -3.952 -11.439 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -8.060 -2.655 -10.958 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -5.140 -2.285 -11.735 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -6.499 -2.017 -12.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -5.898 0.060 -11.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -7.329 -0.378 -11.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -5.834 -0.528 -10.334 1.00 0.00 H new ATOM 1707 N ASP A 103 -2.337 -4.742 -8.146 1.00 0.00 N ATOM 1708 CA ASP A 103 -1.220 -5.674 -8.244 1.00 0.00 C ATOM 1709 C ASP A 103 -1.007 -6.385 -6.909 1.00 0.00 C ATOM 1710 O ASP A 103 -0.691 -7.584 -6.872 1.00 0.00 O ATOM 1711 CB ASP A 103 0.062 -4.957 -8.685 1.00 0.00 C ATOM 1712 CG ASP A 103 0.958 -5.851 -9.515 1.00 0.00 C ATOM 1713 OD1 ASP A 103 0.447 -6.505 -10.449 1.00 0.00 O ATOM 1714 OD2 ASP A 103 2.171 -5.891 -9.260 1.00 0.00 O ATOM 0 H ASP A 103 -2.071 -3.759 -8.082 1.00 0.00 H new ATOM 0 HA ASP A 103 -1.463 -6.418 -9.003 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -0.199 -4.070 -9.262 1.00 0.00 H new ATOM 0 HB3 ASP A 103 0.607 -4.615 -7.805 1.00 0.00 H new ATOM 1719 N LEU A 104 -1.187 -5.652 -5.802 1.00 0.00 N ATOM 1720 CA LEU A 104 -1.111 -6.243 -4.466 1.00 0.00 C ATOM 1721 C LEU A 104 -2.199 -7.299 -4.309 1.00 0.00 C ATOM 1722 O LEU A 104 -1.936 -8.427 -3.888 1.00 0.00 O ATOM 1723 CB LEU A 104 -1.299 -5.156 -3.375 1.00 0.00 C ATOM 1724 CG LEU A 104 -0.045 -4.390 -2.901 1.00 0.00 C ATOM 1725 CD1 LEU A 104 0.925 -5.317 -2.202 1.00 0.00 C ATOM 1726 CD2 LEU A 104 0.638 -3.671 -4.048 1.00 0.00 C ATOM 0 H LEU A 104 -1.386 -4.652 -5.809 1.00 0.00 H new ATOM 0 HA LEU A 104 -0.128 -6.699 -4.347 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -2.016 -4.426 -3.749 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.752 -5.630 -2.504 1.00 0.00 H new ATOM 0 HG LEU A 104 -0.377 -3.636 -2.187 1.00 0.00 H new ATOM 0 HD11 LEU A 104 1.799 -4.752 -1.878 1.00 0.00 H new ATOM 0 HD12 LEU A 104 0.440 -5.764 -1.334 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.236 -6.104 -2.889 1.00 0.00 H new ATOM 0 HD21 LEU A 104 1.516 -3.143 -3.675 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.943 -4.397 -4.802 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -0.054 -2.955 -4.492 1.00 0.00 H new ATOM 1738 N LYS A 105 -3.430 -6.909 -4.646 1.00 0.00 N ATOM 1739 CA LYS A 105 -4.583 -7.785 -4.560 1.00 0.00 C ATOM 1740 C LYS A 105 -4.395 -9.044 -5.410 1.00 0.00 C ATOM 1741 O LYS A 105 -4.876 -10.124 -5.051 1.00 0.00 O ATOM 1742 CB LYS A 105 -5.832 -7.025 -4.995 1.00 0.00 C ATOM 1743 CG LYS A 105 -7.123 -7.615 -4.473 1.00 0.00 C ATOM 1744 CD LYS A 105 -7.207 -7.507 -2.953 1.00 0.00 C ATOM 1745 CE LYS A 105 -8.517 -8.066 -2.424 1.00 0.00 C ATOM 1746 NZ LYS A 105 -9.693 -7.322 -2.943 1.00 0.00 N ATOM 0 H LYS A 105 -3.648 -5.972 -4.986 1.00 0.00 H new ATOM 0 HA LYS A 105 -4.697 -8.107 -3.525 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -5.753 -5.992 -4.656 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -5.870 -7.001 -6.084 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -7.970 -7.098 -4.924 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -7.193 -8.661 -4.770 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -6.373 -8.045 -2.503 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -7.110 -6.463 -2.656 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -8.601 -9.116 -2.703 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -8.515 -8.025 -1.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -10.535 -7.572 -2.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -9.518 -6.300 -2.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -9.850 -7.573 -3.940 1.00 0.00 H new ATOM 1760 N GLU A 106 -3.693 -8.911 -6.533 1.00 0.00 N ATOM 1761 CA GLU A 106 -3.400 -10.060 -7.378 1.00 0.00 C ATOM 1762 C GLU A 106 -2.463 -11.002 -6.661 1.00 0.00 C ATOM 1763 O GLU A 106 -2.629 -12.216 -6.714 1.00 0.00 O ATOM 1764 CB GLU A 106 -2.788 -9.622 -8.706 1.00 0.00 C ATOM 1765 CG GLU A 106 -3.810 -9.177 -9.730 1.00 0.00 C ATOM 1766 CD GLU A 106 -4.672 -10.322 -10.216 1.00 0.00 C ATOM 1767 OE1 GLU A 106 -5.691 -10.632 -9.561 1.00 0.00 O ATOM 1768 OE2 GLU A 106 -4.335 -10.922 -11.255 1.00 0.00 O ATOM 0 H GLU A 106 -3.320 -8.025 -6.875 1.00 0.00 H new ATOM 0 HA GLU A 106 -4.336 -10.576 -7.589 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -2.091 -8.804 -8.522 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -2.209 -10.448 -9.119 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -4.446 -8.406 -9.294 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -3.297 -8.725 -10.579 1.00 0.00 H new ATOM 1775 N THR A 107 -1.501 -10.429 -5.954 1.00 0.00 N ATOM 1776 CA THR A 107 -0.532 -11.200 -5.206 1.00 0.00 C ATOM 1777 C THR A 107 -1.245 -11.994 -4.105 1.00 0.00 C ATOM 1778 O THR A 107 -0.988 -13.190 -3.920 1.00 0.00 O ATOM 1779 CB THR A 107 0.527 -10.261 -4.579 1.00 0.00 C ATOM 1780 OG1 THR A 107 1.108 -9.435 -5.606 1.00 0.00 O ATOM 1781 CG2 THR A 107 1.628 -11.055 -3.884 1.00 0.00 C ATOM 0 H THR A 107 -1.374 -9.419 -5.885 1.00 0.00 H new ATOM 0 HA THR A 107 -0.030 -11.893 -5.881 1.00 0.00 H new ATOM 0 HB THR A 107 0.031 -9.638 -3.834 1.00 0.00 H new ATOM 0 HG1 THR A 107 0.453 -8.768 -5.899 1.00 0.00 H new ATOM 0 HG21 THR A 107 2.356 -10.367 -3.454 1.00 0.00 H new ATOM 0 HG22 THR A 107 1.193 -11.664 -3.092 1.00 0.00 H new ATOM 0 HG23 THR A 107 2.123 -11.701 -4.609 1.00 0.00 H new ATOM 1789 N GLU A 108 -2.144 -11.319 -3.388 1.00 0.00 N ATOM 1790 CA GLU A 108 -2.966 -11.943 -2.351 1.00 0.00 C ATOM 1791 C GLU A 108 -3.662 -13.203 -2.884 1.00 0.00 C ATOM 1792 O GLU A 108 -3.612 -14.266 -2.263 1.00 0.00 O ATOM 1793 CB GLU A 108 -4.014 -10.941 -1.850 1.00 0.00 C ATOM 1794 CG GLU A 108 -4.782 -11.422 -0.635 1.00 0.00 C ATOM 1795 CD GLU A 108 -6.079 -10.677 -0.420 1.00 0.00 C ATOM 1796 OE1 GLU A 108 -7.092 -11.046 -1.057 1.00 0.00 O ATOM 1797 OE2 GLU A 108 -6.101 -9.735 0.391 1.00 0.00 O ATOM 0 H GLU A 108 -2.323 -10.322 -3.510 1.00 0.00 H new ATOM 0 HA GLU A 108 -2.316 -12.236 -1.526 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -3.519 -10.001 -1.607 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -4.718 -10.732 -2.655 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -4.995 -12.485 -0.745 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -4.156 -11.312 0.250 1.00 0.00 H new ATOM 1804 N GLN A 109 -4.295 -13.070 -4.034 1.00 0.00 N ATOM 1805 CA GLN A 109 -5.001 -14.186 -4.654 1.00 0.00 C ATOM 1806 C GLN A 109 -4.066 -15.360 -4.966 1.00 0.00 C ATOM 1807 O GLN A 109 -4.442 -16.516 -4.790 1.00 0.00 O ATOM 1808 CB GLN A 109 -5.713 -13.726 -5.926 1.00 0.00 C ATOM 1809 CG GLN A 109 -6.855 -12.749 -5.674 1.00 0.00 C ATOM 1810 CD GLN A 109 -8.102 -13.410 -5.115 1.00 0.00 C ATOM 1811 OE1 GLN A 109 -8.032 -14.413 -4.404 1.00 0.00 O ATOM 1812 NE2 GLN A 109 -9.255 -12.849 -5.439 1.00 0.00 N ATOM 0 H GLN A 109 -4.337 -12.199 -4.563 1.00 0.00 H new ATOM 0 HA GLN A 109 -5.740 -14.539 -3.935 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -4.986 -13.257 -6.589 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -6.103 -14.599 -6.449 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -6.518 -11.979 -4.979 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -7.107 -12.247 -6.608 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -9.270 -12.018 -6.031 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -10.130 -13.247 -5.097 1.00 0.00 H new ATOM 1821 N LYS A 110 -2.844 -15.058 -5.409 1.00 0.00 N ATOM 1822 CA LYS A 110 -1.887 -16.109 -5.792 1.00 0.00 C ATOM 1823 C LYS A 110 -1.474 -16.962 -4.588 1.00 0.00 C ATOM 1824 O LYS A 110 -1.513 -18.203 -4.631 1.00 0.00 O ATOM 1825 CB LYS A 110 -0.632 -15.510 -6.440 1.00 0.00 C ATOM 1826 CG LYS A 110 -0.898 -14.452 -7.499 1.00 0.00 C ATOM 1827 CD LYS A 110 -1.801 -14.954 -8.613 1.00 0.00 C ATOM 1828 CE LYS A 110 -2.113 -13.837 -9.596 1.00 0.00 C ATOM 1829 NZ LYS A 110 -3.034 -14.276 -10.669 1.00 0.00 N ATOM 0 H LYS A 110 -2.492 -14.106 -5.512 1.00 0.00 H new ATOM 0 HA LYS A 110 -2.395 -16.745 -6.516 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -0.012 -15.072 -5.658 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -0.054 -16.317 -6.891 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -1.356 -13.581 -7.030 1.00 0.00 H new ATOM 0 HG3 LYS A 110 0.050 -14.123 -7.925 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -1.318 -15.780 -9.135 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -2.727 -15.342 -8.190 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -2.556 -12.997 -9.060 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -1.185 -13.477 -10.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -3.218 -13.482 -11.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -2.602 -15.060 -11.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -3.930 -14.595 -10.248 1.00 0.00 H new ATOM 1843 N VAL A 111 -1.097 -16.289 -3.507 1.00 0.00 N ATOM 1844 CA VAL A 111 -0.645 -16.974 -2.310 1.00 0.00 C ATOM 1845 C VAL A 111 -1.790 -17.780 -1.689 1.00 0.00 C ATOM 1846 O VAL A 111 -1.593 -18.897 -1.221 1.00 0.00 O ATOM 1847 CB VAL A 111 -0.010 -15.991 -1.276 1.00 0.00 C ATOM 1848 CG1 VAL A 111 -1.010 -14.956 -0.788 1.00 0.00 C ATOM 1849 CG2 VAL A 111 0.587 -16.748 -0.109 1.00 0.00 C ATOM 0 H VAL A 111 -1.097 -15.271 -3.438 1.00 0.00 H new ATOM 0 HA VAL A 111 0.142 -17.668 -2.603 1.00 0.00 H new ATOM 0 HB VAL A 111 0.789 -15.456 -1.789 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -0.527 -14.293 -0.071 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -1.372 -14.373 -1.635 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -1.850 -15.459 -0.308 1.00 0.00 H new ATOM 0 HG21 VAL A 111 1.023 -16.042 0.598 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -0.193 -17.324 0.388 1.00 0.00 H new ATOM 0 HG23 VAL A 111 1.362 -17.424 -0.472 1.00 0.00 H new ATOM 1859 N LYS A 112 -2.991 -17.209 -1.714 1.00 0.00 N ATOM 1860 CA LYS A 112 -4.182 -17.900 -1.238 1.00 0.00 C ATOM 1861 C LYS A 112 -4.580 -19.024 -2.193 1.00 0.00 C ATOM 1862 O LYS A 112 -5.383 -19.895 -1.844 1.00 0.00 O ATOM 1863 CB LYS A 112 -5.333 -16.910 -1.074 1.00 0.00 C ATOM 1864 CG LYS A 112 -5.179 -15.989 0.124 1.00 0.00 C ATOM 1865 CD LYS A 112 -5.980 -14.706 -0.039 1.00 0.00 C ATOM 1866 CE LYS A 112 -7.455 -14.966 -0.275 1.00 0.00 C ATOM 1867 NZ LYS A 112 -8.248 -13.715 -0.217 1.00 0.00 N ATOM 0 H LYS A 112 -3.164 -16.265 -2.061 1.00 0.00 H new ATOM 0 HA LYS A 112 -3.956 -18.344 -0.269 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -5.413 -16.306 -1.978 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -6.267 -17.464 -0.978 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -5.505 -16.508 1.025 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -4.126 -15.744 0.261 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -5.861 -14.092 0.854 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -5.577 -14.134 -0.875 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -7.590 -15.438 -1.248 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -7.825 -15.667 0.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -9.094 -13.812 -0.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -8.537 -13.532 0.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -7.671 -12.922 -0.562 1.00 0.00 H new ATOM 1881 N ASP A 113 -4.030 -18.994 -3.399 1.00 0.00 N ATOM 1882 CA ASP A 113 -4.316 -20.016 -4.389 1.00 0.00 C ATOM 1883 C ASP A 113 -3.426 -21.245 -4.187 1.00 0.00 C ATOM 1884 O ASP A 113 -3.766 -22.343 -4.625 1.00 0.00 O ATOM 1885 CB ASP A 113 -4.163 -19.464 -5.811 1.00 0.00 C ATOM 1886 CG ASP A 113 -4.657 -20.425 -6.871 1.00 0.00 C ATOM 1887 OD1 ASP A 113 -5.745 -21.011 -6.691 1.00 0.00 O ATOM 1888 OD2 ASP A 113 -3.976 -20.577 -7.902 1.00 0.00 O ATOM 0 H ASP A 113 -3.383 -18.271 -3.713 1.00 0.00 H new ATOM 0 HA ASP A 113 -5.353 -20.325 -4.255 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -4.713 -18.526 -5.893 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -3.113 -19.235 -5.996 1.00 0.00 H new ATOM 1893 N ILE A 114 -2.288 -21.064 -3.518 1.00 0.00 N ATOM 1894 CA ILE A 114 -1.407 -22.193 -3.201 1.00 0.00 C ATOM 1895 C ILE A 114 -2.003 -23.024 -2.060 1.00 0.00 C ATOM 1896 O ILE A 114 -2.324 -22.506 -0.986 1.00 0.00 O ATOM 1897 CB ILE A 114 0.044 -21.721 -2.836 1.00 0.00 C ATOM 1898 CG1 ILE A 114 0.977 -21.867 -4.043 1.00 0.00 C ATOM 1899 CG2 ILE A 114 0.609 -22.499 -1.656 1.00 0.00 C ATOM 1900 CD1 ILE A 114 0.552 -21.087 -5.259 1.00 0.00 C ATOM 0 H ILE A 114 -1.955 -20.158 -3.187 1.00 0.00 H new ATOM 0 HA ILE A 114 -1.331 -22.813 -4.094 1.00 0.00 H new ATOM 0 HB ILE A 114 -0.020 -20.671 -2.552 1.00 0.00 H new ATOM 0 HG12 ILE A 114 1.978 -21.547 -3.753 1.00 0.00 H new ATOM 0 HG13 ILE A 114 1.044 -22.922 -4.309 1.00 0.00 H new ATOM 0 HG21 ILE A 114 1.615 -22.143 -1.434 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -0.029 -22.352 -0.784 1.00 0.00 H new ATOM 0 HG23 ILE A 114 0.646 -23.560 -1.904 1.00 0.00 H new ATOM 0 HD11 ILE A 114 1.269 -21.249 -6.064 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -0.435 -21.422 -5.579 1.00 0.00 H new ATOM 0 HD13 ILE A 114 0.514 -20.025 -5.015 1.00 0.00 H new ATOM 1912 N GLN A 115 -2.200 -24.297 -2.335 1.00 0.00 N ATOM 1913 CA GLN A 115 -2.692 -25.228 -1.334 1.00 0.00 C ATOM 1914 C GLN A 115 -1.534 -25.698 -0.451 1.00 0.00 C ATOM 1915 O GLN A 115 -0.522 -26.204 -0.949 1.00 0.00 O ATOM 1916 CB GLN A 115 -3.393 -26.420 -1.993 1.00 0.00 C ATOM 1917 CG GLN A 115 -2.533 -27.170 -2.991 1.00 0.00 C ATOM 1918 CD GLN A 115 -3.331 -28.136 -3.833 1.00 0.00 C ATOM 1919 OE1 GLN A 115 -3.508 -29.299 -3.472 1.00 0.00 O ATOM 1920 NE2 GLN A 115 -3.818 -27.665 -4.959 1.00 0.00 N ATOM 0 H GLN A 115 -2.026 -24.715 -3.249 1.00 0.00 H new ATOM 0 HA GLN A 115 -3.425 -24.717 -0.710 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -3.716 -27.112 -1.216 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -4.291 -26.065 -2.498 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -2.031 -26.455 -3.642 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -1.755 -27.716 -2.457 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -3.648 -26.694 -5.222 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -4.366 -28.270 -5.570 1.00 0.00 H new ATOM 1929 N THR A 116 -1.670 -25.515 0.847 1.00 0.00 N ATOM 1930 CA THR A 116 -0.628 -25.886 1.778 1.00 0.00 C ATOM 1931 C THR A 116 -1.155 -26.803 2.873 1.00 0.00 C ATOM 1932 O THR A 116 -2.361 -27.075 2.937 1.00 0.00 O ATOM 1933 CB THR A 116 0.010 -24.645 2.396 1.00 0.00 C ATOM 1934 OG1 THR A 116 -1.009 -23.701 2.748 1.00 0.00 O ATOM 1935 CG2 THR A 116 0.995 -24.020 1.421 1.00 0.00 C ATOM 0 H THR A 116 -2.499 -25.109 1.281 1.00 0.00 H new ATOM 0 HA THR A 116 0.130 -26.432 1.217 1.00 0.00 H new ATOM 0 HB THR A 116 0.552 -24.934 3.297 1.00 0.00 H new ATOM 0 HG1 THR A 116 -0.814 -22.837 2.328 1.00 0.00 H new ATOM 0 HG21 THR A 116 1.443 -23.136 1.874 1.00 0.00 H new ATOM 0 HG22 THR A 116 1.777 -24.741 1.181 1.00 0.00 H new ATOM 0 HG23 THR A 116 0.472 -23.735 0.508 1.00 0.00 H new ATOM 1943 N GLN A 117 -0.242 -27.269 3.723 1.00 0.00 N ATOM 1944 CA GLN A 117 -0.560 -28.168 4.832 1.00 0.00 C ATOM 1945 C GLN A 117 -1.195 -29.461 4.319 1.00 0.00 C ATOM 1946 O GLN A 117 -2.441 -29.582 4.361 1.00 0.00 O ATOM 1947 CB GLN A 117 -1.484 -27.475 5.846 1.00 0.00 C ATOM 1948 CG GLN A 117 -1.627 -28.216 7.166 1.00 0.00 C ATOM 1949 CD GLN A 117 -2.571 -27.516 8.122 1.00 0.00 C ATOM 1950 OE1 GLN A 117 -3.529 -26.862 7.704 1.00 0.00 O ATOM 1951 NE2 GLN A 117 -2.308 -27.640 9.403 1.00 0.00 N ATOM 1952 OXT GLN A 117 -0.449 -30.341 3.848 1.00 0.00 O ATOM 0 H GLN A 117 0.748 -27.031 3.661 1.00 0.00 H new ATOM 0 HA GLN A 117 0.371 -28.424 5.338 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -1.102 -26.474 6.044 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -2.471 -27.357 5.400 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -1.990 -29.226 6.975 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -0.647 -28.313 7.633 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -1.505 -28.190 9.708 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -2.907 -27.186 10.093 1.00 0.00 H new TER 1961 GLN A 117