USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 736 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 38 ASN : amide:sc=-0.00286 X(o=-0.086,f=-0.12) USER MOD Set 1.2: A 89 HIS :FLIP no HE2:sc= -0.0827 X(o=-0.19,f=-0.086) USER MOD Set 2.1: A 76 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 83 GLN :FLIP amide:sc= -0.0449 F(o=-3.8!,f=-0.045) USER MOD Set 3.1: A 82 HIS : no HE2:sc= -1.5 K(o=-0.31,f=-1.3) USER MOD Set 3.2: A 93 SER OG : rot 77:sc= 1.19 USER MOD Set 4.1: A 73 SER OG : rot 111:sc= 0.726 USER MOD Set 4.2: A 96 THR OG1 : rot 114:sc= 2.16 USER MOD Set 5.1: A 54 ASN : amide:sc= 0 K(o=0.33,f=-0.19) USER MOD Set 5.2: A 64 SER OG : rot 92:sc= 0.331 USER MOD Set 6.1: A 12 LYS NZ :NH3+ -161:sc= 1.24 (180deg=-0.0428) USER MOD Set 6.2: A 16 GLN : amide:sc= 0.963 K(o=2.2,f=-6.6!) USER MOD Single : A 7 GLN : amide:sc= -1.98! C(o=-2!,f=-7.7!) USER MOD Single : A 9 ASN : amide:sc= 0.405 X(o=0.4,f=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 73:sc= 0.392 USER MOD Single : A 19 HIS : no HD1:sc= -0.876 X(o=-0.88,f=-0.75) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot 88:sc= 0.984 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -1.86 K(o=-1.9,f=-4.5) USER MOD Single : A 37 THR OG1 : rot -62:sc= 1.07 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.967 USER MOD Single : A 46 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0294) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl -143:sc= -4.28! (180deg=-7.62!) USER MOD Single : A 52 SER OG : rot 180:sc= 0.0158 USER MOD Single : A 53 LYS NZ :NH3+ 168:sc= -0.251 (180deg=-0.99!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN :FLIP amide:sc= 0 F(o=-0.64,f=0) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 67 LYS NZ :NH3+ -161:sc= -0.144 (180deg=-0.547) USER MOD Single : A 69 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0026) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 ASN :FLIP amide:sc= -0.446 F(o=-1.6!,f=-0.45) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -154:sc= 0.857 USER MOD Single : A 80 SER OG : rot -42:sc= 0.447 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.0219 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 ASN :FLIP amide:sc= -0.0359 F(o=-3.1,f=-0.036) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot -170:sc= -0.0486 USER MOD Single : A 104 THR OG1 : rot 140:sc= -2.42! USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.442 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 21 N GLN A 7 -18.146 -4.699 -4.187 1.00 0.86 N ATOM 22 CA GLN A 7 -16.746 -4.368 -3.975 1.00 0.74 C ATOM 23 C GLN A 7 -15.889 -5.623 -3.981 1.00 0.69 C ATOM 24 O GLN A 7 -14.690 -5.541 -4.126 1.00 0.64 O ATOM 25 CB GLN A 7 -16.538 -3.615 -2.667 1.00 0.85 C ATOM 26 CG GLN A 7 -15.112 -3.106 -2.464 1.00 0.75 C ATOM 27 CD GLN A 7 -14.769 -1.939 -3.370 1.00 1.15 C ATOM 28 OE1 GLN A 7 -13.616 -1.757 -3.746 1.00 1.96 O ATOM 29 NE2 GLN A 7 -15.760 -1.131 -3.714 1.00 1.70 N ATOM 0 HA GLN A 7 -16.442 -3.720 -4.797 1.00 0.74 H new ATOM 0 HB2 GLN A 7 -17.223 -2.768 -2.634 1.00 0.85 H new ATOM 0 HB3 GLN A 7 -16.801 -4.270 -1.837 1.00 0.85 H new ATOM 0 HG2 GLN A 7 -14.984 -2.803 -1.425 1.00 0.75 H new ATOM 0 HG3 GLN A 7 -14.411 -3.920 -2.647 1.00 0.75 H new ATOM 0 HE21 GLN A 7 -16.707 -1.315 -3.382 1.00 1.70 H new ATOM 0 HE22 GLN A 7 -15.577 -0.325 -4.311 1.00 1.70 H new ATOM 38 N ASP A 8 -16.504 -6.782 -3.837 1.00 0.78 N ATOM 39 CA ASP A 8 -15.765 -8.040 -3.862 1.00 0.84 C ATOM 40 C ASP A 8 -14.957 -8.181 -5.153 1.00 0.77 C ATOM 41 O ASP A 8 -13.829 -8.674 -5.141 1.00 0.84 O ATOM 42 CB ASP A 8 -16.719 -9.223 -3.692 1.00 1.01 C ATOM 43 CG ASP A 8 -17.817 -9.239 -4.734 1.00 1.83 C ATOM 44 OD1 ASP A 8 -17.687 -9.972 -5.733 1.00 1.78 O ATOM 45 OD2 ASP A 8 -18.814 -8.501 -4.563 1.00 2.81 O ATOM 0 H ASP A 8 -17.510 -6.883 -3.702 1.00 0.78 H new ATOM 0 HA ASP A 8 -15.063 -8.036 -3.028 1.00 0.84 H new ATOM 0 HB2 ASP A 8 -16.153 -10.153 -3.751 1.00 1.01 H new ATOM 0 HB3 ASP A 8 -17.166 -9.185 -2.699 1.00 1.01 H new ATOM 50 N ASN A 9 -15.533 -7.747 -6.260 1.00 0.72 N ATOM 51 CA ASN A 9 -14.817 -7.707 -7.531 1.00 0.70 C ATOM 52 C ASN A 9 -14.087 -6.390 -7.703 1.00 0.55 C ATOM 53 O ASN A 9 -13.028 -6.324 -8.328 1.00 0.53 O ATOM 54 CB ASN A 9 -15.783 -7.908 -8.693 1.00 0.80 C ATOM 55 CG ASN A 9 -15.928 -9.365 -9.088 1.00 1.28 C ATOM 56 OD1 ASN A 9 -15.211 -9.855 -9.963 1.00 2.04 O ATOM 57 ND2 ASN A 9 -16.841 -10.072 -8.443 1.00 1.78 N ATOM 0 H ASN A 9 -16.497 -7.416 -6.308 1.00 0.72 H new ATOM 0 HA ASN A 9 -14.085 -8.515 -7.526 1.00 0.70 H new ATOM 0 HB2 ASN A 9 -16.761 -7.511 -8.420 1.00 0.80 H new ATOM 0 HB3 ASN A 9 -15.435 -7.336 -9.553 1.00 0.80 H new ATOM 0 HD21 ASN A 9 -16.971 -11.059 -8.664 1.00 1.78 H new ATOM 0 HD22 ASN A 9 -17.415 -9.630 -7.725 1.00 1.78 H new ATOM 64 N ALA A 10 -14.660 -5.340 -7.140 1.00 0.51 N ATOM 65 CA ALA A 10 -14.132 -3.995 -7.313 1.00 0.45 C ATOM 66 C ALA A 10 -12.838 -3.814 -6.560 1.00 0.38 C ATOM 67 O ALA A 10 -11.911 -3.200 -7.068 1.00 0.35 O ATOM 68 CB ALA A 10 -15.131 -2.961 -6.847 1.00 0.49 C ATOM 0 H ALA A 10 -15.495 -5.392 -6.556 1.00 0.51 H new ATOM 0 HA ALA A 10 -13.942 -3.857 -8.377 1.00 0.45 H new ATOM 0 HB1 ALA A 10 -14.714 -1.964 -6.986 1.00 0.49 H new ATOM 0 HB2 ALA A 10 -16.049 -3.055 -7.427 1.00 0.49 H new ATOM 0 HB3 ALA A 10 -15.351 -3.118 -5.791 1.00 0.49 H new ATOM 74 N ARG A 11 -12.798 -4.362 -5.351 1.00 0.41 N ATOM 75 CA ARG A 11 -11.630 -4.297 -4.488 1.00 0.44 C ATOM 76 C ARG A 11 -10.386 -4.645 -5.271 1.00 0.35 C ATOM 77 O ARG A 11 -9.358 -3.996 -5.156 1.00 0.41 O ATOM 78 CB ARG A 11 -11.800 -5.259 -3.305 1.00 0.54 C ATOM 79 CG ARG A 11 -12.063 -6.706 -3.706 1.00 1.44 C ATOM 80 CD ARG A 11 -10.793 -7.544 -3.758 1.00 1.95 C ATOM 81 NE ARG A 11 -11.017 -8.848 -4.376 1.00 2.91 N ATOM 82 CZ ARG A 11 -10.063 -9.764 -4.538 1.00 3.53 C ATOM 83 NH1 ARG A 11 -8.824 -9.517 -4.127 1.00 3.46 N ATOM 84 NH2 ARG A 11 -10.351 -10.924 -5.108 1.00 4.41 N ATOM 0 H ARG A 11 -13.583 -4.868 -4.941 1.00 0.41 H new ATOM 0 HA ARG A 11 -11.528 -3.282 -4.104 1.00 0.44 H new ATOM 0 HB2 ARG A 11 -10.901 -5.222 -2.690 1.00 0.54 H new ATOM 0 HB3 ARG A 11 -12.625 -4.911 -2.684 1.00 0.54 H new ATOM 0 HG2 ARG A 11 -12.760 -7.154 -2.997 1.00 1.44 H new ATOM 0 HG3 ARG A 11 -12.546 -6.725 -4.683 1.00 1.44 H new ATOM 0 HD2 ARG A 11 -10.027 -7.006 -4.317 1.00 1.95 H new ATOM 0 HD3 ARG A 11 -10.411 -7.684 -2.747 1.00 1.95 H new ATOM 0 HE ARG A 11 -11.957 -9.070 -4.702 1.00 2.91 H new ATOM 0 HH11 ARG A 11 -8.601 -8.625 -3.686 1.00 3.46 H new ATOM 0 HH12 ARG A 11 -8.096 -10.220 -4.252 1.00 3.46 H new ATOM 0 HH21 ARG A 11 -11.302 -11.115 -5.422 1.00 4.41 H new ATOM 0 HH22 ARG A 11 -9.622 -11.626 -5.233 1.00 4.41 H new ATOM 98 N LYS A 12 -10.514 -5.660 -6.091 1.00 0.28 N ATOM 99 CA LYS A 12 -9.428 -6.092 -6.919 1.00 0.27 C ATOM 100 C LYS A 12 -9.004 -4.967 -7.838 1.00 0.23 C ATOM 101 O LYS A 12 -7.870 -4.527 -7.785 1.00 0.37 O ATOM 102 CB LYS A 12 -9.820 -7.321 -7.734 1.00 0.37 C ATOM 103 CG LYS A 12 -8.626 -7.935 -8.429 1.00 0.49 C ATOM 104 CD LYS A 12 -8.529 -9.423 -8.211 1.00 0.94 C ATOM 105 CE LYS A 12 -7.097 -9.873 -8.409 1.00 0.88 C ATOM 106 NZ LYS A 12 -6.623 -9.643 -9.800 1.00 1.56 N ATOM 0 H LYS A 12 -11.371 -6.203 -6.199 1.00 0.28 H new ATOM 0 HA LYS A 12 -8.590 -6.365 -6.277 1.00 0.27 H new ATOM 0 HB2 LYS A 12 -10.280 -8.061 -7.079 1.00 0.37 H new ATOM 0 HB3 LYS A 12 -10.569 -7.042 -8.475 1.00 0.37 H new ATOM 0 HG2 LYS A 12 -8.689 -7.732 -9.498 1.00 0.49 H new ATOM 0 HG3 LYS A 12 -7.715 -7.459 -8.067 1.00 0.49 H new ATOM 0 HD2 LYS A 12 -8.865 -9.676 -7.205 1.00 0.94 H new ATOM 0 HD3 LYS A 12 -9.185 -9.946 -8.907 1.00 0.94 H new ATOM 0 HE2 LYS A 12 -6.450 -9.338 -7.714 1.00 0.88 H new ATOM 0 HE3 LYS A 12 -7.015 -10.933 -8.170 1.00 0.88 H new ATOM 0 HZ1 LYS A 12 -5.789 -10.236 -9.985 1.00 1.56 H new ATOM 0 HZ2 LYS A 12 -7.379 -9.890 -10.470 1.00 1.56 H new ATOM 0 HZ3 LYS A 12 -6.369 -8.642 -9.919 1.00 1.56 H new ATOM 120 N SER A 13 -9.943 -4.449 -8.610 1.00 0.21 N ATOM 121 CA SER A 13 -9.617 -3.514 -9.671 1.00 0.24 C ATOM 122 C SER A 13 -9.289 -2.124 -9.127 1.00 0.24 C ATOM 123 O SER A 13 -8.273 -1.529 -9.498 1.00 0.28 O ATOM 124 CB SER A 13 -10.786 -3.437 -10.655 1.00 0.30 C ATOM 125 OG SER A 13 -10.535 -2.497 -11.687 1.00 0.90 O ATOM 0 H SER A 13 -10.937 -4.660 -8.522 1.00 0.21 H new ATOM 0 HA SER A 13 -8.726 -3.877 -10.182 1.00 0.24 H new ATOM 0 HB2 SER A 13 -10.961 -4.420 -11.092 1.00 0.30 H new ATOM 0 HB3 SER A 13 -11.695 -3.159 -10.121 1.00 0.30 H new ATOM 0 HG SER A 13 -11.299 -2.472 -12.300 1.00 0.90 H new ATOM 131 N ARG A 14 -10.138 -1.617 -8.238 1.00 0.25 N ATOM 132 CA ARG A 14 -9.996 -0.253 -7.737 1.00 0.30 C ATOM 133 C ARG A 14 -8.699 -0.086 -6.968 1.00 0.24 C ATOM 134 O ARG A 14 -8.094 0.985 -6.981 1.00 0.30 O ATOM 135 CB ARG A 14 -11.188 0.141 -6.853 1.00 0.37 C ATOM 136 CG ARG A 14 -11.343 -0.710 -5.603 1.00 0.36 C ATOM 137 CD ARG A 14 -11.137 0.088 -4.325 1.00 0.52 C ATOM 138 NE ARG A 14 -11.659 1.457 -4.413 1.00 1.14 N ATOM 139 CZ ARG A 14 -12.714 1.904 -3.728 1.00 1.41 C ATOM 140 NH1 ARG A 14 -13.462 1.064 -3.028 1.00 1.66 N ATOM 141 NH2 ARG A 14 -13.043 3.189 -3.779 1.00 2.05 N ATOM 0 H ARG A 14 -10.930 -2.129 -7.850 1.00 0.25 H new ATOM 0 HA ARG A 14 -9.974 0.411 -8.602 1.00 0.30 H new ATOM 0 HB2 ARG A 14 -11.078 1.184 -6.558 1.00 0.37 H new ATOM 0 HB3 ARG A 14 -12.102 0.071 -7.442 1.00 0.37 H new ATOM 0 HG2 ARG A 14 -12.337 -1.156 -5.592 1.00 0.36 H new ATOM 0 HG3 ARG A 14 -10.626 -1.530 -5.635 1.00 0.36 H new ATOM 0 HD2 ARG A 14 -11.625 -0.428 -3.498 1.00 0.52 H new ATOM 0 HD3 ARG A 14 -10.072 0.125 -4.094 1.00 0.52 H new ATOM 0 HE ARG A 14 -11.185 2.109 -5.038 1.00 1.14 H new ATOM 0 HH11 ARG A 14 -13.233 0.070 -3.011 1.00 1.66 H new ATOM 0 HH12 ARG A 14 -14.267 1.411 -2.506 1.00 1.66 H new ATOM 0 HH21 ARG A 14 -12.490 3.835 -4.342 1.00 2.05 H new ATOM 0 HH22 ARG A 14 -13.849 3.530 -3.255 1.00 2.05 H new ATOM 155 N ILE A 15 -8.270 -1.143 -6.304 1.00 0.17 N ATOM 156 CA ILE A 15 -7.048 -1.093 -5.554 1.00 0.15 C ATOM 157 C ILE A 15 -5.877 -1.368 -6.465 1.00 0.13 C ATOM 158 O ILE A 15 -4.875 -0.671 -6.416 1.00 0.13 O ATOM 159 CB ILE A 15 -7.062 -2.123 -4.437 1.00 0.19 C ATOM 160 CG1 ILE A 15 -8.196 -1.802 -3.471 1.00 0.26 C ATOM 161 CG2 ILE A 15 -5.729 -2.134 -3.708 1.00 0.21 C ATOM 162 CD1 ILE A 15 -8.498 -2.918 -2.517 1.00 0.34 C ATOM 0 H ILE A 15 -8.754 -2.040 -6.274 1.00 0.17 H new ATOM 0 HA ILE A 15 -6.954 -0.098 -5.119 1.00 0.15 H new ATOM 0 HB ILE A 15 -7.222 -3.114 -4.863 1.00 0.19 H new ATOM 0 HG12 ILE A 15 -7.938 -0.908 -2.903 1.00 0.26 H new ATOM 0 HG13 ILE A 15 -9.095 -1.568 -4.042 1.00 0.26 H new ATOM 0 HG21 ILE A 15 -5.756 -2.877 -2.911 1.00 0.21 H new ATOM 0 HG22 ILE A 15 -4.933 -2.383 -4.409 1.00 0.21 H new ATOM 0 HG23 ILE A 15 -5.540 -1.150 -3.280 1.00 0.21 H new ATOM 0 HD11 ILE A 15 -9.315 -2.623 -1.858 1.00 0.34 H new ATOM 0 HD12 ILE A 15 -8.787 -3.807 -3.077 1.00 0.34 H new ATOM 0 HD13 ILE A 15 -7.612 -3.137 -1.921 1.00 0.34 H new ATOM 174 N GLN A 16 -6.036 -2.391 -7.298 1.00 0.15 N ATOM 175 CA GLN A 16 -5.012 -2.828 -8.239 1.00 0.20 C ATOM 176 C GLN A 16 -4.410 -1.665 -9.009 1.00 0.21 C ATOM 177 O GLN A 16 -3.190 -1.602 -9.179 1.00 0.24 O ATOM 178 CB GLN A 16 -5.619 -3.814 -9.216 1.00 0.25 C ATOM 179 CG GLN A 16 -4.886 -5.136 -9.281 1.00 0.40 C ATOM 180 CD GLN A 16 -5.435 -6.064 -10.346 1.00 1.08 C ATOM 181 OE1 GLN A 16 -6.330 -6.867 -10.086 1.00 1.85 O ATOM 182 NE2 GLN A 16 -4.902 -5.968 -11.550 1.00 1.71 N ATOM 0 H GLN A 16 -6.890 -2.947 -7.339 1.00 0.15 H new ATOM 0 HA GLN A 16 -4.212 -3.297 -7.666 1.00 0.20 H new ATOM 0 HB2 GLN A 16 -6.656 -3.997 -8.936 1.00 0.25 H new ATOM 0 HB3 GLN A 16 -5.631 -3.366 -10.210 1.00 0.25 H new ATOM 0 HG2 GLN A 16 -3.830 -4.951 -9.477 1.00 0.40 H new ATOM 0 HG3 GLN A 16 -4.948 -5.628 -8.310 1.00 0.40 H new ATOM 0 HE21 GLN A 16 -4.161 -5.290 -11.727 1.00 1.71 H new ATOM 0 HE22 GLN A 16 -5.231 -6.572 -12.303 1.00 1.71 H new ATOM 191 N SER A 17 -5.267 -0.745 -9.451 1.00 0.23 N ATOM 192 CA SER A 17 -4.818 0.411 -10.208 1.00 0.28 C ATOM 193 C SER A 17 -3.725 1.147 -9.455 1.00 0.25 C ATOM 194 O SER A 17 -2.646 1.398 -9.986 1.00 0.34 O ATOM 195 CB SER A 17 -5.992 1.351 -10.482 1.00 0.33 C ATOM 196 OG SER A 17 -7.054 0.661 -11.123 1.00 1.04 O ATOM 0 H SER A 17 -6.274 -0.782 -9.295 1.00 0.23 H new ATOM 0 HA SER A 17 -4.413 0.066 -11.159 1.00 0.28 H new ATOM 0 HB2 SER A 17 -6.345 1.781 -9.545 1.00 0.33 H new ATOM 0 HB3 SER A 17 -5.661 2.180 -11.108 1.00 0.33 H new ATOM 0 HG SER A 17 -7.500 0.074 -10.477 1.00 1.04 H new ATOM 202 N GLU A 18 -4.006 1.459 -8.209 1.00 0.19 N ATOM 203 CA GLU A 18 -3.093 2.231 -7.397 1.00 0.20 C ATOM 204 C GLU A 18 -2.084 1.343 -6.677 1.00 0.16 C ATOM 205 O GLU A 18 -0.995 1.787 -6.355 1.00 0.17 O ATOM 206 CB GLU A 18 -3.882 3.060 -6.416 1.00 0.28 C ATOM 207 CG GLU A 18 -5.075 3.719 -7.067 1.00 0.37 C ATOM 208 CD GLU A 18 -4.734 4.907 -7.937 1.00 1.43 C ATOM 209 OE1 GLU A 18 -3.965 4.755 -8.905 1.00 2.36 O ATOM 210 OE2 GLU A 18 -5.266 6.002 -7.667 1.00 1.76 O ATOM 0 H GLU A 18 -4.867 1.187 -7.734 1.00 0.19 H new ATOM 0 HA GLU A 18 -2.519 2.890 -8.049 1.00 0.20 H new ATOM 0 HB2 GLU A 18 -4.220 2.427 -5.595 1.00 0.28 H new ATOM 0 HB3 GLU A 18 -3.236 3.824 -5.984 1.00 0.28 H new ATOM 0 HG2 GLU A 18 -5.598 2.979 -7.672 1.00 0.37 H new ATOM 0 HG3 GLU A 18 -5.767 4.041 -6.289 1.00 0.37 H new ATOM 217 N HIS A 19 -2.456 0.093 -6.417 1.00 0.15 N ATOM 218 CA HIS A 19 -1.576 -0.860 -5.748 1.00 0.14 C ATOM 219 C HIS A 19 -0.212 -0.859 -6.404 1.00 0.13 C ATOM 220 O HIS A 19 0.774 -0.672 -5.717 1.00 0.13 O ATOM 221 CB HIS A 19 -2.216 -2.270 -5.716 1.00 0.15 C ATOM 222 CG HIS A 19 -1.244 -3.412 -5.667 1.00 0.21 C ATOM 223 ND1 HIS A 19 -0.396 -3.648 -4.607 1.00 0.26 N ATOM 224 CD2 HIS A 19 -1.002 -4.394 -6.565 1.00 0.29 C ATOM 225 CE1 HIS A 19 0.328 -4.723 -4.859 1.00 0.35 C ATOM 226 NE2 HIS A 19 -0.022 -5.195 -6.038 1.00 0.36 N ATOM 0 H HIS A 19 -3.370 -0.286 -6.662 1.00 0.15 H new ATOM 0 HA HIS A 19 -1.439 -0.554 -4.711 1.00 0.14 H new ATOM 0 HB2 HIS A 19 -2.872 -2.334 -4.848 1.00 0.15 H new ATOM 0 HB3 HIS A 19 -2.844 -2.386 -6.599 1.00 0.15 H new ATOM 0 HD2 HIS A 19 -1.490 -4.523 -7.520 1.00 0.29 H new ATOM 0 HE1 HIS A 19 1.080 -5.144 -4.208 1.00 0.35 H new ATOM 0 HE2 HIS A 19 0.372 -6.022 -6.486 1.00 0.36 H new ATOM 235 N ARG A 20 -0.175 -0.995 -7.726 1.00 0.14 N ATOM 236 CA ARG A 20 1.087 -0.963 -8.467 1.00 0.14 C ATOM 237 C ARG A 20 1.845 0.328 -8.167 1.00 0.12 C ATOM 238 O ARG A 20 3.057 0.324 -7.956 1.00 0.15 O ATOM 239 CB ARG A 20 0.828 -1.044 -9.966 1.00 0.19 C ATOM 240 CG ARG A 20 -0.146 -2.135 -10.367 1.00 0.25 C ATOM 241 CD ARG A 20 -0.027 -2.437 -11.845 1.00 0.90 C ATOM 242 NE ARG A 20 -0.266 -1.251 -12.668 1.00 2.11 N ATOM 243 CZ ARG A 20 0.481 -0.909 -13.716 1.00 2.93 C ATOM 244 NH1 ARG A 20 1.501 -1.671 -14.088 1.00 2.80 N ATOM 245 NH2 ARG A 20 0.204 0.198 -14.394 1.00 4.14 N ATOM 0 H ARG A 20 -1.002 -1.128 -8.308 1.00 0.14 H new ATOM 0 HA ARG A 20 1.683 -1.820 -8.154 1.00 0.14 H new ATOM 0 HB2 ARG A 20 0.443 -0.084 -10.310 1.00 0.19 H new ATOM 0 HB3 ARG A 20 1.775 -1.210 -10.479 1.00 0.19 H new ATOM 0 HG2 ARG A 20 0.052 -3.037 -9.789 1.00 0.25 H new ATOM 0 HG3 ARG A 20 -1.165 -1.824 -10.134 1.00 0.25 H new ATOM 0 HD2 ARG A 20 0.968 -2.830 -12.056 1.00 0.90 H new ATOM 0 HD3 ARG A 20 -0.741 -3.215 -12.115 1.00 0.90 H new ATOM 0 HE ARG A 20 -1.053 -0.649 -12.424 1.00 2.11 H new ATOM 0 HH11 ARG A 20 1.716 -2.523 -13.571 1.00 2.80 H new ATOM 0 HH12 ARG A 20 2.070 -1.405 -14.891 1.00 2.80 H new ATOM 0 HH21 ARG A 20 -0.580 0.786 -14.112 1.00 4.14 H new ATOM 0 HH22 ARG A 20 0.776 0.461 -15.197 1.00 4.14 H new ATOM 259 N GLU A 21 1.094 1.418 -8.128 1.00 0.14 N ATOM 260 CA GLU A 21 1.633 2.752 -7.896 1.00 0.14 C ATOM 261 C GLU A 21 2.329 2.834 -6.543 1.00 0.11 C ATOM 262 O GLU A 21 3.446 3.337 -6.442 1.00 0.13 O ATOM 263 CB GLU A 21 0.490 3.771 -7.936 1.00 0.20 C ATOM 264 CG GLU A 21 -0.526 3.530 -9.047 1.00 0.33 C ATOM 265 CD GLU A 21 0.036 3.753 -10.437 1.00 0.52 C ATOM 266 OE1 GLU A 21 -0.166 4.848 -10.994 1.00 0.98 O ATOM 267 OE2 GLU A 21 0.673 2.829 -10.988 1.00 0.82 O ATOM 0 H GLU A 21 0.082 1.403 -8.258 1.00 0.14 H new ATOM 0 HA GLU A 21 2.364 2.970 -8.675 1.00 0.14 H new ATOM 0 HB2 GLU A 21 -0.028 3.757 -6.977 1.00 0.20 H new ATOM 0 HB3 GLU A 21 0.912 4.769 -8.056 1.00 0.20 H new ATOM 0 HG2 GLU A 21 -0.898 2.508 -8.973 1.00 0.33 H new ATOM 0 HG3 GLU A 21 -1.380 4.191 -8.898 1.00 0.33 H new ATOM 274 N LEU A 22 1.651 2.351 -5.507 1.00 0.10 N ATOM 275 CA LEU A 22 2.198 2.380 -4.151 1.00 0.09 C ATOM 276 C LEU A 22 3.499 1.604 -4.054 1.00 0.09 C ATOM 277 O LEU A 22 4.418 2.011 -3.351 1.00 0.12 O ATOM 278 CB LEU A 22 1.202 1.841 -3.114 1.00 0.10 C ATOM 279 CG LEU A 22 0.086 2.804 -2.715 1.00 0.15 C ATOM 280 CD1 LEU A 22 0.645 4.210 -2.575 1.00 0.18 C ATOM 281 CD2 LEU A 22 -1.028 2.787 -3.727 1.00 0.22 C ATOM 0 H LEU A 22 0.723 1.935 -5.578 1.00 0.10 H new ATOM 0 HA LEU A 22 2.395 3.429 -3.928 1.00 0.09 H new ATOM 0 HB2 LEU A 22 0.750 0.931 -3.508 1.00 0.10 H new ATOM 0 HB3 LEU A 22 1.754 1.560 -2.217 1.00 0.10 H new ATOM 0 HG LEU A 22 -0.322 2.481 -1.757 1.00 0.15 H new ATOM 0 HD11 LEU A 22 -0.155 4.893 -2.290 1.00 0.18 H new ATOM 0 HD12 LEU A 22 1.420 4.219 -1.808 1.00 0.18 H new ATOM 0 HD13 LEU A 22 1.072 4.528 -3.526 1.00 0.18 H new ATOM 0 HD21 LEU A 22 -1.810 3.481 -3.419 1.00 0.22 H new ATOM 0 HD22 LEU A 22 -0.640 3.086 -4.701 1.00 0.22 H new ATOM 0 HD23 LEU A 22 -1.442 1.781 -3.795 1.00 0.22 H new ATOM 293 N VAL A 23 3.591 0.486 -4.755 1.00 0.08 N ATOM 294 CA VAL A 23 4.800 -0.299 -4.712 1.00 0.09 C ATOM 295 C VAL A 23 5.869 0.330 -5.597 1.00 0.11 C ATOM 296 O VAL A 23 7.059 0.277 -5.279 1.00 0.12 O ATOM 297 CB VAL A 23 4.564 -1.773 -5.081 1.00 0.11 C ATOM 298 CG1 VAL A 23 3.113 -2.052 -5.441 1.00 0.13 C ATOM 299 CG2 VAL A 23 5.482 -2.206 -6.197 1.00 0.12 C ATOM 0 H VAL A 23 2.852 0.111 -5.350 1.00 0.08 H new ATOM 0 HA VAL A 23 5.152 -0.297 -3.680 1.00 0.09 H new ATOM 0 HB VAL A 23 4.796 -2.361 -4.193 1.00 0.11 H new ATOM 0 HG11 VAL A 23 2.997 -3.106 -5.694 1.00 0.13 H new ATOM 0 HG12 VAL A 23 2.474 -1.810 -4.591 1.00 0.13 H new ATOM 0 HG13 VAL A 23 2.826 -1.440 -6.296 1.00 0.13 H new ATOM 0 HG21 VAL A 23 5.294 -3.252 -6.438 1.00 0.12 H new ATOM 0 HG22 VAL A 23 5.298 -1.592 -7.079 1.00 0.12 H new ATOM 0 HG23 VAL A 23 6.519 -2.087 -5.882 1.00 0.12 H new ATOM 309 N SER A 24 5.436 0.940 -6.693 1.00 0.12 N ATOM 310 CA SER A 24 6.322 1.758 -7.505 1.00 0.15 C ATOM 311 C SER A 24 6.921 2.857 -6.631 1.00 0.13 C ATOM 312 O SER A 24 8.046 3.317 -6.851 1.00 0.15 O ATOM 313 CB SER A 24 5.547 2.369 -8.675 1.00 0.19 C ATOM 314 OG SER A 24 6.417 3.005 -9.597 1.00 0.74 O ATOM 0 H SER A 24 4.478 0.883 -7.038 1.00 0.12 H new ATOM 0 HA SER A 24 7.124 1.141 -7.911 1.00 0.15 H new ATOM 0 HB2 SER A 24 4.981 1.589 -9.185 1.00 0.19 H new ATOM 0 HB3 SER A 24 4.824 3.092 -8.297 1.00 0.19 H new ATOM 0 HG SER A 24 5.893 3.384 -10.333 1.00 0.74 H new ATOM 320 N ALA A 25 6.164 3.249 -5.614 1.00 0.10 N ATOM 321 CA ALA A 25 6.624 4.242 -4.655 1.00 0.09 C ATOM 322 C ALA A 25 7.456 3.585 -3.567 1.00 0.08 C ATOM 323 O ALA A 25 8.376 4.202 -3.051 1.00 0.08 O ATOM 324 CB ALA A 25 5.462 4.988 -4.031 1.00 0.12 C ATOM 0 H ALA A 25 5.226 2.892 -5.433 1.00 0.10 H new ATOM 0 HA ALA A 25 7.241 4.960 -5.196 1.00 0.09 H new ATOM 0 HB1 ALA A 25 5.841 5.722 -3.320 1.00 0.12 H new ATOM 0 HB2 ALA A 25 4.896 5.497 -4.811 1.00 0.12 H new ATOM 0 HB3 ALA A 25 4.813 4.282 -3.513 1.00 0.12 H new ATOM 330 N ILE A 26 7.133 2.340 -3.205 1.00 0.08 N ATOM 331 CA ILE A 26 7.929 1.620 -2.226 1.00 0.08 C ATOM 332 C ILE A 26 9.356 1.482 -2.716 1.00 0.09 C ATOM 333 O ILE A 26 10.301 1.765 -1.987 1.00 0.12 O ATOM 334 CB ILE A 26 7.341 0.222 -1.882 1.00 0.11 C ATOM 335 CG1 ILE A 26 6.537 0.318 -0.603 1.00 0.18 C ATOM 336 CG2 ILE A 26 8.426 -0.837 -1.720 1.00 0.15 C ATOM 337 CD1 ILE A 26 6.143 -1.028 -0.067 1.00 0.20 C ATOM 0 H ILE A 26 6.336 1.821 -3.573 1.00 0.08 H new ATOM 0 HA ILE A 26 7.910 2.206 -1.307 1.00 0.08 H new ATOM 0 HB ILE A 26 6.705 -0.083 -2.713 1.00 0.11 H new ATOM 0 HG12 ILE A 26 7.120 0.848 0.150 1.00 0.18 H new ATOM 0 HG13 ILE A 26 5.640 0.909 -0.786 1.00 0.18 H new ATOM 0 HG21 ILE A 26 7.966 -1.796 -1.480 1.00 0.15 H new ATOM 0 HG22 ILE A 26 8.989 -0.927 -2.649 1.00 0.15 H new ATOM 0 HG23 ILE A 26 9.100 -0.547 -0.914 1.00 0.15 H new ATOM 0 HD11 ILE A 26 5.569 -0.900 0.851 1.00 0.20 H new ATOM 0 HD12 ILE A 26 5.535 -1.550 -0.806 1.00 0.20 H new ATOM 0 HD13 ILE A 26 7.039 -1.612 0.144 1.00 0.20 H new ATOM 349 N GLN A 27 9.497 1.081 -3.967 1.00 0.09 N ATOM 350 CA GLN A 27 10.803 0.914 -4.573 1.00 0.11 C ATOM 351 C GLN A 27 11.541 2.254 -4.624 1.00 0.13 C ATOM 352 O GLN A 27 12.771 2.308 -4.616 1.00 0.17 O ATOM 353 CB GLN A 27 10.642 0.315 -5.969 1.00 0.11 C ATOM 354 CG GLN A 27 9.956 -1.037 -5.950 1.00 0.13 C ATOM 355 CD GLN A 27 9.934 -1.706 -7.309 1.00 0.19 C ATOM 356 OE1 GLN A 27 8.982 -1.557 -8.075 1.00 0.99 O ATOM 357 NE2 GLN A 27 10.991 -2.436 -7.626 1.00 1.25 N ATOM 0 H GLN A 27 8.716 0.864 -4.586 1.00 0.09 H new ATOM 0 HA GLN A 27 11.401 0.231 -3.969 1.00 0.11 H new ATOM 0 HB2 GLN A 27 10.066 1.001 -6.590 1.00 0.11 H new ATOM 0 HB3 GLN A 27 11.624 0.213 -6.432 1.00 0.11 H new ATOM 0 HG2 GLN A 27 10.465 -1.687 -5.239 1.00 0.13 H new ATOM 0 HG3 GLN A 27 8.933 -0.915 -5.594 1.00 0.13 H new ATOM 0 HE21 GLN A 27 11.760 -2.535 -6.963 1.00 1.25 H new ATOM 0 HE22 GLN A 27 11.037 -2.900 -8.533 1.00 1.25 H new ATOM 366 N SER A 28 10.767 3.328 -4.654 1.00 0.13 N ATOM 367 CA SER A 28 11.296 4.677 -4.627 1.00 0.16 C ATOM 368 C SER A 28 11.668 5.091 -3.191 1.00 0.18 C ATOM 369 O SER A 28 12.772 5.572 -2.940 1.00 0.22 O ATOM 370 CB SER A 28 10.244 5.615 -5.218 1.00 0.16 C ATOM 371 OG SER A 28 10.021 5.330 -6.591 1.00 0.68 O ATOM 0 H SER A 28 9.749 3.285 -4.698 1.00 0.13 H new ATOM 0 HA SER A 28 12.209 4.731 -5.220 1.00 0.16 H new ATOM 0 HB2 SER A 28 9.310 5.513 -4.666 1.00 0.16 H new ATOM 0 HB3 SER A 28 10.570 6.649 -5.106 1.00 0.16 H new ATOM 0 HG SER A 28 9.327 4.643 -6.674 1.00 0.68 H new ATOM 377 N TYR A 29 10.734 4.884 -2.261 1.00 0.16 N ATOM 378 CA TYR A 29 10.937 5.161 -0.839 1.00 0.19 C ATOM 379 C TYR A 29 12.156 4.406 -0.330 1.00 0.24 C ATOM 380 O TYR A 29 13.096 4.994 0.199 1.00 0.28 O ATOM 381 CB TYR A 29 9.674 4.719 -0.073 1.00 0.15 C ATOM 382 CG TYR A 29 9.628 5.027 1.422 1.00 0.17 C ATOM 383 CD1 TYR A 29 8.426 4.925 2.111 1.00 0.17 C ATOM 384 CD2 TYR A 29 10.759 5.388 2.145 1.00 0.24 C ATOM 385 CE1 TYR A 29 8.349 5.173 3.470 1.00 0.22 C ATOM 386 CE2 TYR A 29 10.688 5.637 3.502 1.00 0.27 C ATOM 387 CZ TYR A 29 9.483 5.527 4.160 1.00 0.22 C ATOM 388 OH TYR A 29 9.411 5.783 5.512 1.00 0.32 O ATOM 0 H TYR A 29 9.807 4.516 -2.476 1.00 0.16 H new ATOM 0 HA TYR A 29 11.109 6.226 -0.685 1.00 0.19 H new ATOM 0 HB2 TYR A 29 8.810 5.190 -0.543 1.00 0.15 H new ATOM 0 HB3 TYR A 29 9.559 3.643 -0.201 1.00 0.15 H new ATOM 0 HD1 TYR A 29 7.532 4.646 1.574 1.00 0.17 H new ATOM 0 HD2 TYR A 29 11.708 5.475 1.638 1.00 0.24 H new ATOM 0 HE1 TYR A 29 7.403 5.089 3.985 1.00 0.22 H new ATOM 0 HE2 TYR A 29 11.577 5.918 4.047 1.00 0.27 H new ATOM 0 HH TYR A 29 10.301 6.019 5.848 1.00 0.32 H new ATOM 398 N ILE A 30 12.130 3.101 -0.519 1.00 0.25 N ATOM 399 CA ILE A 30 13.170 2.219 -0.029 1.00 0.32 C ATOM 400 C ILE A 30 14.528 2.550 -0.635 1.00 0.38 C ATOM 401 O ILE A 30 15.536 2.569 0.068 1.00 0.44 O ATOM 402 CB ILE A 30 12.781 0.761 -0.313 1.00 0.30 C ATOM 403 CG1 ILE A 30 11.529 0.431 0.506 1.00 0.28 C ATOM 404 CG2 ILE A 30 13.930 -0.189 -0.015 1.00 0.40 C ATOM 405 CD1 ILE A 30 11.043 -0.987 0.371 1.00 0.29 C ATOM 0 H ILE A 30 11.382 2.621 -1.020 1.00 0.25 H new ATOM 0 HA ILE A 30 13.263 2.363 1.047 1.00 0.32 H new ATOM 0 HB ILE A 30 12.559 0.635 -1.373 1.00 0.30 H new ATOM 0 HG12 ILE A 30 11.736 0.631 1.557 1.00 0.28 H new ATOM 0 HG13 ILE A 30 10.727 1.105 0.206 1.00 0.28 H new ATOM 0 HG21 ILE A 30 13.620 -1.212 -0.227 1.00 0.40 H new ATOM 0 HG22 ILE A 30 14.786 0.068 -0.639 1.00 0.40 H new ATOM 0 HG23 ILE A 30 14.209 -0.105 1.035 1.00 0.40 H new ATOM 0 HD11 ILE A 30 10.154 -1.127 0.986 1.00 0.29 H new ATOM 0 HD12 ILE A 30 10.799 -1.190 -0.672 1.00 0.29 H new ATOM 0 HD13 ILE A 30 11.824 -1.672 0.701 1.00 0.29 H new ATOM 417 N GLY A 31 14.543 2.867 -1.924 1.00 0.38 N ATOM 418 CA GLY A 31 15.789 3.194 -2.589 1.00 0.47 C ATOM 419 C GLY A 31 16.318 4.549 -2.164 1.00 0.50 C ATOM 420 O GLY A 31 17.434 4.933 -2.516 1.00 0.57 O ATOM 0 H GLY A 31 13.716 2.903 -2.520 1.00 0.38 H new ATOM 0 HA2 GLY A 31 16.532 2.428 -2.366 1.00 0.47 H new ATOM 0 HA3 GLY A 31 15.637 3.186 -3.668 1.00 0.47 H new ATOM 424 N ALA A 32 15.507 5.274 -1.407 1.00 0.48 N ATOM 425 CA ALA A 32 15.874 6.589 -0.914 1.00 0.51 C ATOM 426 C ALA A 32 16.217 6.547 0.563 1.00 0.54 C ATOM 427 O ALA A 32 16.822 7.480 1.092 1.00 0.60 O ATOM 428 CB ALA A 32 14.728 7.554 -1.126 1.00 0.46 C ATOM 0 H ALA A 32 14.578 4.966 -1.119 1.00 0.48 H new ATOM 0 HA ALA A 32 16.753 6.921 -1.467 1.00 0.51 H new ATOM 0 HB1 ALA A 32 15.009 8.539 -0.754 1.00 0.46 H new ATOM 0 HB2 ALA A 32 14.499 7.619 -2.190 1.00 0.46 H new ATOM 0 HB3 ALA A 32 13.849 7.200 -0.587 1.00 0.46 H new ATOM 434 N GLN A 33 15.812 5.471 1.225 1.00 0.50 N ATOM 435 CA GLN A 33 15.951 5.362 2.661 1.00 0.53 C ATOM 436 C GLN A 33 17.386 5.454 3.139 1.00 0.65 C ATOM 437 O GLN A 33 18.343 5.307 2.373 1.00 0.70 O ATOM 438 CB GLN A 33 15.353 4.061 3.155 1.00 0.50 C ATOM 439 CG GLN A 33 13.849 4.097 3.276 1.00 0.42 C ATOM 440 CD GLN A 33 13.371 4.280 4.712 1.00 0.44 C ATOM 441 OE1 GLN A 33 12.345 3.733 5.113 1.00 1.04 O ATOM 442 NE2 GLN A 33 14.083 5.080 5.487 1.00 1.19 N ATOM 0 H GLN A 33 15.382 4.659 0.782 1.00 0.50 H new ATOM 0 HA GLN A 33 15.413 6.215 3.075 1.00 0.53 H new ATOM 0 HB2 GLN A 33 15.636 3.259 2.474 1.00 0.50 H new ATOM 0 HB3 GLN A 33 15.782 3.819 4.127 1.00 0.50 H new ATOM 0 HG2 GLN A 33 13.460 4.910 2.663 1.00 0.42 H new ATOM 0 HG3 GLN A 33 13.436 3.171 2.877 1.00 0.42 H new ATOM 0 HE21 GLN A 33 14.930 5.519 5.126 1.00 1.19 H new ATOM 0 HE22 GLN A 33 13.786 5.258 6.446 1.00 1.19 H new ATOM 451 N ASP A 34 17.495 5.706 4.428 1.00 0.72 N ATOM 452 CA ASP A 34 18.751 5.662 5.150 1.00 0.85 C ATOM 453 C ASP A 34 19.411 4.307 4.966 1.00 0.88 C ATOM 454 O ASP A 34 20.633 4.191 4.861 1.00 0.99 O ATOM 455 CB ASP A 34 18.452 5.921 6.617 1.00 0.90 C ATOM 456 CG ASP A 34 19.692 6.035 7.474 1.00 1.06 C ATOM 457 OD1 ASP A 34 20.031 5.054 8.166 1.00 1.14 O ATOM 458 OD2 ASP A 34 20.325 7.111 7.476 1.00 1.22 O ATOM 0 H ASP A 34 16.698 5.952 5.014 1.00 0.72 H new ATOM 0 HA ASP A 34 19.439 6.418 4.771 1.00 0.85 H new ATOM 0 HB2 ASP A 34 17.873 6.841 6.705 1.00 0.90 H new ATOM 0 HB3 ASP A 34 17.828 5.114 7.000 1.00 0.90 H new ATOM 463 N ASP A 35 18.566 3.300 4.900 1.00 0.82 N ATOM 464 CA ASP A 35 18.982 1.935 4.613 1.00 0.89 C ATOM 465 C ASP A 35 17.883 1.226 3.845 1.00 0.80 C ATOM 466 O ASP A 35 16.812 0.950 4.386 1.00 0.77 O ATOM 467 CB ASP A 35 19.305 1.160 5.890 1.00 0.99 C ATOM 468 CG ASP A 35 19.732 -0.256 5.618 1.00 1.60 C ATOM 469 OD1 ASP A 35 18.866 -1.149 5.634 1.00 2.19 O ATOM 470 OD2 ASP A 35 20.938 -0.486 5.406 1.00 1.95 O ATOM 0 H ASP A 35 17.561 3.402 5.045 1.00 0.82 H new ATOM 0 HA ASP A 35 19.892 1.977 4.014 1.00 0.89 H new ATOM 0 HB2 ASP A 35 20.097 1.676 6.433 1.00 0.99 H new ATOM 0 HB3 ASP A 35 18.428 1.153 6.537 1.00 0.99 H new ATOM 475 N PRO A 36 18.128 0.947 2.566 1.00 0.79 N ATOM 476 CA PRO A 36 17.159 0.292 1.682 1.00 0.72 C ATOM 477 C PRO A 36 17.034 -1.184 1.967 1.00 0.77 C ATOM 478 O PRO A 36 16.111 -1.849 1.513 1.00 0.77 O ATOM 479 CB PRO A 36 17.783 0.487 0.312 1.00 0.73 C ATOM 480 CG PRO A 36 19.238 0.451 0.598 1.00 0.84 C ATOM 481 CD PRO A 36 19.382 1.253 1.854 1.00 0.85 C ATOM 0 HA PRO A 36 16.155 0.701 1.794 1.00 0.72 H new ATOM 0 HB2 PRO A 36 17.489 -0.301 -0.381 1.00 0.73 H new ATOM 0 HB3 PRO A 36 17.483 1.434 -0.136 1.00 0.73 H new ATOM 0 HG2 PRO A 36 19.592 -0.571 0.734 1.00 0.84 H new ATOM 0 HG3 PRO A 36 19.816 0.883 -0.219 1.00 0.84 H new ATOM 0 HD2 PRO A 36 20.259 0.955 2.429 1.00 0.85 H new ATOM 0 HD3 PRO A 36 19.483 2.318 1.647 1.00 0.85 H new ATOM 489 N THR A 37 17.981 -1.681 2.716 1.00 0.84 N ATOM 490 CA THR A 37 18.075 -3.097 2.977 1.00 0.90 C ATOM 491 C THR A 37 17.011 -3.518 3.969 1.00 0.89 C ATOM 492 O THR A 37 16.537 -4.655 3.964 1.00 0.91 O ATOM 493 CB THR A 37 19.474 -3.461 3.506 1.00 1.03 C ATOM 494 OG1 THR A 37 19.481 -3.513 4.938 1.00 1.07 O ATOM 495 CG2 THR A 37 20.484 -2.423 3.043 1.00 1.06 C ATOM 0 H THR A 37 18.708 -1.121 3.162 1.00 0.84 H new ATOM 0 HA THR A 37 17.913 -3.631 2.041 1.00 0.90 H new ATOM 0 HB THR A 37 19.741 -4.443 3.115 1.00 1.03 H new ATOM 0 HG1 THR A 37 19.252 -2.631 5.298 1.00 1.07 H new ATOM 0 HG21 THR A 37 21.473 -2.684 3.420 1.00 1.06 H new ATOM 0 HG22 THR A 37 20.506 -2.397 1.954 1.00 1.06 H new ATOM 0 HG23 THR A 37 20.198 -1.442 3.424 1.00 1.06 H new ATOM 503 N ASN A 38 16.657 -2.587 4.825 1.00 0.87 N ATOM 504 CA ASN A 38 15.628 -2.801 5.823 1.00 0.88 C ATOM 505 C ASN A 38 15.022 -1.475 6.281 1.00 0.80 C ATOM 506 O ASN A 38 15.219 -1.046 7.416 1.00 0.86 O ATOM 507 CB ASN A 38 16.254 -3.544 6.990 1.00 1.05 C ATOM 508 CG ASN A 38 15.246 -4.028 8.023 1.00 1.02 C ATOM 509 OD1 ASN A 38 14.943 -3.332 8.990 1.00 1.43 O ATOM 510 ND2 ASN A 38 14.728 -5.231 7.829 1.00 1.64 N ATOM 0 H ASN A 38 17.074 -1.657 4.851 1.00 0.87 H new ATOM 0 HA ASN A 38 14.815 -3.390 5.398 1.00 0.88 H new ATOM 0 HB2 ASN A 38 16.808 -4.401 6.607 1.00 1.05 H new ATOM 0 HB3 ASN A 38 16.976 -2.890 7.479 1.00 1.05 H new ATOM 0 HD21 ASN A 38 14.053 -5.609 8.494 1.00 1.64 H new ATOM 0 HD22 ASN A 38 15.004 -5.780 7.015 1.00 1.64 H new ATOM 517 N PRO A 39 14.308 -0.783 5.382 1.00 0.68 N ATOM 518 CA PRO A 39 13.595 0.452 5.721 1.00 0.61 C ATOM 519 C PRO A 39 12.499 0.255 6.765 1.00 0.63 C ATOM 520 O PRO A 39 12.199 -0.870 7.181 1.00 0.73 O ATOM 521 CB PRO A 39 12.983 0.909 4.399 1.00 0.53 C ATOM 522 CG PRO A 39 13.051 -0.264 3.493 1.00 0.54 C ATOM 523 CD PRO A 39 14.187 -1.112 3.956 1.00 0.64 C ATOM 0 HA PRO A 39 14.277 1.177 6.166 1.00 0.61 H new ATOM 0 HB2 PRO A 39 11.953 1.236 4.538 1.00 0.53 H new ATOM 0 HB3 PRO A 39 13.533 1.754 3.985 1.00 0.53 H new ATOM 0 HG2 PRO A 39 12.117 -0.825 3.519 1.00 0.54 H new ATOM 0 HG3 PRO A 39 13.204 0.054 2.462 1.00 0.54 H new ATOM 0 HD2 PRO A 39 13.983 -2.172 3.806 1.00 0.64 H new ATOM 0 HD3 PRO A 39 15.104 -0.884 3.413 1.00 0.64 H new ATOM 531 N SER A 40 11.904 1.365 7.169 1.00 0.58 N ATOM 532 CA SER A 40 10.863 1.372 8.184 1.00 0.61 C ATOM 533 C SER A 40 9.516 0.967 7.602 1.00 0.53 C ATOM 534 O SER A 40 9.420 0.527 6.454 1.00 0.49 O ATOM 535 CB SER A 40 10.756 2.768 8.798 1.00 0.64 C ATOM 536 OG SER A 40 11.999 3.181 9.339 1.00 0.77 O ATOM 0 H SER A 40 12.130 2.289 6.801 1.00 0.58 H new ATOM 0 HA SER A 40 11.133 0.646 8.951 1.00 0.61 H new ATOM 0 HB2 SER A 40 10.431 3.479 8.039 1.00 0.64 H new ATOM 0 HB3 SER A 40 9.997 2.768 9.580 1.00 0.64 H new ATOM 0 HG SER A 40 11.906 4.077 9.724 1.00 0.77 H new ATOM 542 N GLU A 41 8.484 1.105 8.415 1.00 0.58 N ATOM 543 CA GLU A 41 7.131 0.882 7.978 1.00 0.55 C ATOM 544 C GLU A 41 6.753 1.915 6.941 1.00 0.51 C ATOM 545 O GLU A 41 6.979 3.112 7.118 1.00 0.72 O ATOM 546 CB GLU A 41 6.191 0.939 9.175 1.00 0.66 C ATOM 547 CG GLU A 41 4.749 1.165 8.808 1.00 0.66 C ATOM 548 CD GLU A 41 3.848 1.252 10.019 1.00 0.82 C ATOM 549 OE1 GLU A 41 3.430 0.195 10.533 1.00 0.85 O ATOM 550 OE2 GLU A 41 3.567 2.381 10.475 1.00 0.99 O ATOM 0 H GLU A 41 8.568 1.375 9.395 1.00 0.58 H new ATOM 0 HA GLU A 41 7.049 -0.105 7.523 1.00 0.55 H new ATOM 0 HB2 GLU A 41 6.272 0.006 9.733 1.00 0.66 H new ATOM 0 HB3 GLU A 41 6.516 1.738 9.842 1.00 0.66 H new ATOM 0 HG2 GLU A 41 4.665 2.085 8.230 1.00 0.66 H new ATOM 0 HG3 GLU A 41 4.410 0.353 8.165 1.00 0.66 H new ATOM 557 N ILE A 42 6.197 1.435 5.855 1.00 0.29 N ATOM 558 CA ILE A 42 5.867 2.271 4.743 1.00 0.21 C ATOM 559 C ILE A 42 4.364 2.481 4.650 1.00 0.22 C ATOM 560 O ILE A 42 3.587 1.531 4.750 1.00 0.27 O ATOM 561 CB ILE A 42 6.408 1.646 3.458 1.00 0.16 C ATOM 562 CG1 ILE A 42 7.930 1.790 3.432 1.00 0.17 C ATOM 563 CG2 ILE A 42 5.766 2.274 2.244 1.00 0.13 C ATOM 564 CD1 ILE A 42 8.535 1.564 2.076 1.00 0.15 C ATOM 0 H ILE A 42 5.963 0.451 5.724 1.00 0.29 H new ATOM 0 HA ILE A 42 6.328 3.248 4.885 1.00 0.21 H new ATOM 0 HB ILE A 42 6.158 0.585 3.435 1.00 0.16 H new ATOM 0 HG12 ILE A 42 8.198 2.789 3.778 1.00 0.17 H new ATOM 0 HG13 ILE A 42 8.365 1.082 4.137 1.00 0.17 H new ATOM 0 HG21 ILE A 42 6.167 1.813 1.341 1.00 0.13 H new ATOM 0 HG22 ILE A 42 4.688 2.120 2.282 1.00 0.13 H new ATOM 0 HG23 ILE A 42 5.980 3.343 2.231 1.00 0.13 H new ATOM 0 HD11 ILE A 42 9.617 1.683 2.136 1.00 0.15 H new ATOM 0 HD12 ILE A 42 8.299 0.556 1.736 1.00 0.15 H new ATOM 0 HD13 ILE A 42 8.129 2.289 1.371 1.00 0.15 H new ATOM 576 N THR A 43 3.956 3.731 4.488 1.00 0.19 N ATOM 577 CA THR A 43 2.549 4.050 4.348 1.00 0.19 C ATOM 578 C THR A 43 2.322 4.977 3.185 1.00 0.16 C ATOM 579 O THR A 43 3.268 5.498 2.607 1.00 0.15 O ATOM 580 CB THR A 43 1.968 4.695 5.617 1.00 0.21 C ATOM 581 OG1 THR A 43 2.679 5.897 5.925 1.00 0.21 O ATOM 582 CG2 THR A 43 2.043 3.739 6.794 1.00 0.22 C ATOM 0 H THR A 43 4.580 4.537 4.451 1.00 0.19 H new ATOM 0 HA THR A 43 2.036 3.104 4.175 1.00 0.19 H new ATOM 0 HB THR A 43 0.921 4.931 5.430 1.00 0.21 H new ATOM 0 HG1 THR A 43 2.302 6.302 6.733 1.00 0.21 H new ATOM 0 HG21 THR A 43 1.626 4.219 7.679 1.00 0.22 H new ATOM 0 HG22 THR A 43 1.474 2.838 6.567 1.00 0.22 H new ATOM 0 HG23 THR A 43 3.083 3.473 6.981 1.00 0.22 H new ATOM 590 N LEU A 44 1.069 5.190 2.860 1.00 0.16 N ATOM 591 CA LEU A 44 0.703 6.035 1.744 1.00 0.15 C ATOM 592 C LEU A 44 1.094 7.467 2.020 1.00 0.15 C ATOM 593 O LEU A 44 1.575 8.185 1.147 1.00 0.16 O ATOM 594 CB LEU A 44 -0.784 5.936 1.514 1.00 0.16 C ATOM 595 CG LEU A 44 -1.297 4.519 1.380 1.00 0.15 C ATOM 596 CD1 LEU A 44 -2.708 4.518 0.833 1.00 0.17 C ATOM 597 CD2 LEU A 44 -0.351 3.712 0.507 1.00 0.18 C ATOM 0 H LEU A 44 0.276 4.785 3.358 1.00 0.16 H new ATOM 0 HA LEU A 44 1.231 5.702 0.851 1.00 0.15 H new ATOM 0 HB2 LEU A 44 -1.302 6.421 2.341 1.00 0.16 H new ATOM 0 HB3 LEU A 44 -1.038 6.490 0.610 1.00 0.16 H new ATOM 0 HG LEU A 44 -1.331 4.049 2.363 1.00 0.15 H new ATOM 0 HD11 LEU A 44 -3.062 3.491 0.743 1.00 0.17 H new ATOM 0 HD12 LEU A 44 -3.361 5.069 1.510 1.00 0.17 H new ATOM 0 HD13 LEU A 44 -2.718 4.993 -0.148 1.00 0.17 H new ATOM 0 HD21 LEU A 44 -0.724 2.692 0.413 1.00 0.18 H new ATOM 0 HD22 LEU A 44 -0.289 4.168 -0.481 1.00 0.18 H new ATOM 0 HD23 LEU A 44 0.639 3.696 0.962 1.00 0.18 H new ATOM 609 N ALA A 45 0.907 7.853 3.263 1.00 0.15 N ATOM 610 CA ALA A 45 1.234 9.185 3.713 1.00 0.15 C ATOM 611 C ALA A 45 2.747 9.417 3.641 1.00 0.15 C ATOM 612 O ALA A 45 3.215 10.550 3.522 1.00 0.18 O ATOM 613 CB ALA A 45 0.696 9.369 5.122 1.00 0.18 C ATOM 0 H ALA A 45 0.523 7.250 3.990 1.00 0.15 H new ATOM 0 HA ALA A 45 0.770 9.927 3.064 1.00 0.15 H new ATOM 0 HB1 ALA A 45 0.936 10.372 5.475 1.00 0.18 H new ATOM 0 HB2 ALA A 45 -0.386 9.235 5.119 1.00 0.18 H new ATOM 0 HB3 ALA A 45 1.151 8.633 5.784 1.00 0.18 H new ATOM 619 N LYS A 46 3.503 8.322 3.697 1.00 0.15 N ATOM 620 CA LYS A 46 4.947 8.354 3.550 1.00 0.15 C ATOM 621 C LYS A 46 5.357 8.237 2.092 1.00 0.13 C ATOM 622 O LYS A 46 6.333 8.845 1.662 1.00 0.13 O ATOM 623 CB LYS A 46 5.552 7.200 4.309 1.00 0.16 C ATOM 624 CG LYS A 46 5.377 7.290 5.801 1.00 0.20 C ATOM 625 CD LYS A 46 5.916 6.050 6.474 1.00 0.22 C ATOM 626 CE LYS A 46 5.479 5.979 7.913 1.00 0.30 C ATOM 627 NZ LYS A 46 5.985 7.126 8.714 1.00 0.36 N ATOM 0 H LYS A 46 3.124 7.387 3.846 1.00 0.15 H new ATOM 0 HA LYS A 46 5.304 9.307 3.942 1.00 0.15 H new ATOM 0 HB2 LYS A 46 5.103 6.271 3.956 1.00 0.16 H new ATOM 0 HB3 LYS A 46 6.617 7.147 4.081 1.00 0.16 H new ATOM 0 HG2 LYS A 46 5.894 8.171 6.181 1.00 0.20 H new ATOM 0 HG3 LYS A 46 4.321 7.412 6.042 1.00 0.20 H new ATOM 0 HD2 LYS A 46 5.570 5.164 5.942 1.00 0.22 H new ATOM 0 HD3 LYS A 46 7.005 6.048 6.421 1.00 0.22 H new ATOM 0 HE2 LYS A 46 4.390 5.959 7.959 1.00 0.30 H new ATOM 0 HE3 LYS A 46 5.834 5.047 8.353 1.00 0.30 H new ATOM 0 HZ1 LYS A 46 5.776 6.966 9.720 1.00 0.36 H new ATOM 0 HZ2 LYS A 46 7.013 7.213 8.584 1.00 0.36 H new ATOM 0 HZ3 LYS A 46 5.521 8.001 8.399 1.00 0.36 H new ATOM 641 N LEU A 47 4.614 7.428 1.352 1.00 0.13 N ATOM 642 CA LEU A 47 4.896 7.165 -0.047 1.00 0.11 C ATOM 643 C LEU A 47 4.586 8.373 -0.920 1.00 0.12 C ATOM 644 O LEU A 47 5.004 8.429 -2.072 1.00 0.14 O ATOM 645 CB LEU A 47 4.083 5.956 -0.511 1.00 0.09 C ATOM 646 CG LEU A 47 4.599 4.607 -0.016 1.00 0.09 C ATOM 647 CD1 LEU A 47 3.674 3.488 -0.467 1.00 0.10 C ATOM 648 CD2 LEU A 47 6.015 4.368 -0.512 1.00 0.11 C ATOM 0 H LEU A 47 3.796 6.934 1.708 1.00 0.13 H new ATOM 0 HA LEU A 47 5.961 6.954 -0.147 1.00 0.11 H new ATOM 0 HB2 LEU A 47 3.053 6.079 -0.177 1.00 0.09 H new ATOM 0 HB3 LEU A 47 4.066 5.944 -1.601 1.00 0.09 H new ATOM 0 HG LEU A 47 4.616 4.618 1.074 1.00 0.09 H new ATOM 0 HD11 LEU A 47 4.056 2.533 -0.106 1.00 0.10 H new ATOM 0 HD12 LEU A 47 2.676 3.656 -0.063 1.00 0.10 H new ATOM 0 HD13 LEU A 47 3.627 3.472 -1.556 1.00 0.10 H new ATOM 0 HD21 LEU A 47 6.369 3.402 -0.151 1.00 0.11 H new ATOM 0 HD22 LEU A 47 6.025 4.373 -1.602 1.00 0.11 H new ATOM 0 HD23 LEU A 47 6.669 5.157 -0.140 1.00 0.11 H new ATOM 660 N ALA A 48 3.876 9.338 -0.343 1.00 0.12 N ATOM 661 CA ALA A 48 3.441 10.543 -1.050 1.00 0.14 C ATOM 662 C ALA A 48 4.531 11.163 -1.939 1.00 0.15 C ATOM 663 O ALA A 48 4.311 11.344 -3.137 1.00 0.19 O ATOM 664 CB ALA A 48 2.919 11.576 -0.057 1.00 0.16 C ATOM 0 H ALA A 48 3.584 9.308 0.634 1.00 0.12 H new ATOM 0 HA ALA A 48 2.640 10.233 -1.721 1.00 0.14 H new ATOM 0 HB1 ALA A 48 2.598 12.468 -0.595 1.00 0.16 H new ATOM 0 HB2 ALA A 48 2.074 11.159 0.491 1.00 0.16 H new ATOM 0 HB3 ALA A 48 3.711 11.840 0.644 1.00 0.16 H new ATOM 670 N PRO A 49 5.722 11.489 -1.388 1.00 0.15 N ATOM 671 CA PRO A 49 6.796 12.140 -2.148 1.00 0.19 C ATOM 672 C PRO A 49 7.401 11.232 -3.213 1.00 0.21 C ATOM 673 O PRO A 49 8.039 11.694 -4.162 1.00 0.28 O ATOM 674 CB PRO A 49 7.847 12.450 -1.075 1.00 0.21 C ATOM 675 CG PRO A 49 7.109 12.378 0.209 1.00 0.37 C ATOM 676 CD PRO A 49 6.141 11.272 0.004 1.00 0.14 C ATOM 0 HA PRO A 49 6.431 13.013 -2.689 1.00 0.19 H new ATOM 0 HB2 PRO A 49 8.665 11.730 -1.102 1.00 0.21 H new ATOM 0 HB3 PRO A 49 8.286 13.436 -1.224 1.00 0.21 H new ATOM 0 HG2 PRO A 49 7.779 12.173 1.044 1.00 0.37 H new ATOM 0 HG3 PRO A 49 6.602 13.317 0.431 1.00 0.37 H new ATOM 0 HD2 PRO A 49 6.602 10.294 0.144 1.00 0.14 H new ATOM 0 HD3 PRO A 49 5.302 11.330 0.697 1.00 0.14 H new ATOM 684 N TYR A 50 7.193 9.939 -3.044 1.00 0.21 N ATOM 685 CA TYR A 50 7.806 8.933 -3.897 1.00 0.25 C ATOM 686 C TYR A 50 6.852 8.470 -4.983 1.00 0.27 C ATOM 687 O TYR A 50 7.224 7.677 -5.850 1.00 0.33 O ATOM 688 CB TYR A 50 8.240 7.740 -3.055 1.00 0.26 C ATOM 689 CG TYR A 50 9.105 8.127 -1.883 1.00 0.28 C ATOM 690 CD1 TYR A 50 10.401 8.591 -2.067 1.00 0.35 C ATOM 691 CD2 TYR A 50 8.615 8.040 -0.593 1.00 0.26 C ATOM 692 CE1 TYR A 50 11.186 8.957 -0.990 1.00 0.39 C ATOM 693 CE2 TYR A 50 9.392 8.402 0.493 1.00 0.30 C ATOM 694 CZ TYR A 50 10.677 8.862 0.288 1.00 0.36 C ATOM 695 OH TYR A 50 11.458 9.228 1.364 1.00 0.42 O ATOM 0 H TYR A 50 6.595 9.555 -2.312 1.00 0.21 H new ATOM 0 HA TYR A 50 8.674 9.383 -4.378 1.00 0.25 H new ATOM 0 HB2 TYR A 50 7.355 7.220 -2.689 1.00 0.26 H new ATOM 0 HB3 TYR A 50 8.785 7.037 -3.685 1.00 0.26 H new ATOM 0 HD1 TYR A 50 10.802 8.667 -3.067 1.00 0.35 H new ATOM 0 HD2 TYR A 50 7.609 7.683 -0.430 1.00 0.26 H new ATOM 0 HE1 TYR A 50 12.192 9.315 -1.148 1.00 0.39 H new ATOM 0 HE2 TYR A 50 8.996 8.325 1.495 1.00 0.30 H new ATOM 0 HH TYR A 50 10.952 9.103 2.194 1.00 0.42 H new ATOM 705 N MET A 51 5.623 8.957 -4.937 1.00 0.28 N ATOM 706 CA MET A 51 4.630 8.546 -5.908 1.00 0.35 C ATOM 707 C MET A 51 4.861 9.229 -7.230 1.00 0.54 C ATOM 708 O MET A 51 5.025 10.446 -7.313 1.00 0.51 O ATOM 709 CB MET A 51 3.214 8.840 -5.440 1.00 0.29 C ATOM 710 CG MET A 51 2.836 8.133 -4.162 1.00 0.15 C ATOM 711 SD MET A 51 2.663 6.351 -4.323 1.00 0.26 S ATOM 712 CE MET A 51 1.551 6.229 -5.704 1.00 0.25 C ATOM 0 H MET A 51 5.294 9.630 -4.245 1.00 0.28 H new ATOM 0 HA MET A 51 4.737 7.468 -6.024 1.00 0.35 H new ATOM 0 HB2 MET A 51 3.105 9.915 -5.296 1.00 0.29 H new ATOM 0 HB3 MET A 51 2.515 8.551 -6.225 1.00 0.29 H new ATOM 0 HG2 MET A 51 3.592 8.346 -3.406 1.00 0.15 H new ATOM 0 HG3 MET A 51 1.895 8.546 -3.797 1.00 0.15 H new ATOM 0 HE1 MET A 51 0.864 5.397 -5.546 1.00 0.25 H new ATOM 0 HE2 MET A 51 0.984 7.155 -5.797 1.00 0.25 H new ATOM 0 HE3 MET A 51 2.122 6.059 -6.617 1.00 0.25 H new ATOM 722 N SER A 52 4.875 8.422 -8.252 1.00 0.90 N ATOM 723 CA SER A 52 4.948 8.907 -9.623 1.00 1.14 C ATOM 724 C SER A 52 3.534 9.037 -10.155 1.00 0.98 C ATOM 725 O SER A 52 3.250 9.758 -11.111 1.00 1.19 O ATOM 726 CB SER A 52 5.762 7.937 -10.478 1.00 1.43 C ATOM 727 OG SER A 52 5.338 6.597 -10.268 1.00 2.32 O ATOM 0 H SER A 52 4.837 7.406 -8.170 1.00 0.90 H new ATOM 0 HA SER A 52 5.443 9.878 -9.657 1.00 1.14 H new ATOM 0 HB2 SER A 52 5.654 8.196 -11.531 1.00 1.43 H new ATOM 0 HB3 SER A 52 6.820 8.030 -10.234 1.00 1.43 H new ATOM 0 HG SER A 52 5.871 5.994 -10.827 1.00 2.32 H new ATOM 733 N LYS A 53 2.665 8.300 -9.497 1.00 0.79 N ATOM 734 CA LYS A 53 1.254 8.313 -9.727 1.00 0.81 C ATOM 735 C LYS A 53 0.636 9.597 -9.180 1.00 0.98 C ATOM 736 O LYS A 53 1.268 10.300 -8.393 1.00 1.91 O ATOM 737 CB LYS A 53 0.719 7.074 -9.020 1.00 0.99 C ATOM 738 CG LYS A 53 -0.774 6.997 -8.866 1.00 0.82 C ATOM 739 CD LYS A 53 -1.235 7.580 -7.551 1.00 0.69 C ATOM 740 CE LYS A 53 -2.688 7.266 -7.301 1.00 0.86 C ATOM 741 NZ LYS A 53 -3.277 8.111 -6.238 1.00 1.65 N ATOM 0 H LYS A 53 2.943 7.653 -8.760 1.00 0.79 H new ATOM 0 HA LYS A 53 1.005 8.293 -10.788 1.00 0.81 H new ATOM 0 HB2 LYS A 53 1.054 6.194 -9.569 1.00 0.99 H new ATOM 0 HB3 LYS A 53 1.170 7.022 -8.029 1.00 0.99 H new ATOM 0 HG2 LYS A 53 -1.252 7.531 -9.687 1.00 0.82 H new ATOM 0 HG3 LYS A 53 -1.093 5.957 -8.934 1.00 0.82 H new ATOM 0 HD2 LYS A 53 -0.628 7.180 -6.739 1.00 0.69 H new ATOM 0 HD3 LYS A 53 -1.088 8.660 -7.557 1.00 0.69 H new ATOM 0 HE2 LYS A 53 -3.250 7.405 -8.224 1.00 0.86 H new ATOM 0 HE3 LYS A 53 -2.787 6.217 -7.023 1.00 0.86 H new ATOM 0 HZ1 LYS A 53 -4.311 8.004 -6.242 1.00 1.65 H new ATOM 0 HZ2 LYS A 53 -2.902 7.817 -5.313 1.00 1.65 H new ATOM 0 HZ3 LYS A 53 -3.032 9.107 -6.410 1.00 1.65 H new ATOM 755 N ASN A 54 -0.584 9.887 -9.630 1.00 0.79 N ATOM 756 CA ASN A 54 -1.380 11.018 -9.155 1.00 0.77 C ATOM 757 C ASN A 54 -1.329 11.176 -7.655 1.00 0.93 C ATOM 758 O ASN A 54 -2.085 10.550 -6.904 1.00 1.79 O ATOM 759 CB ASN A 54 -2.811 10.819 -9.558 1.00 0.75 C ATOM 760 CG ASN A 54 -3.689 12.020 -9.266 1.00 1.15 C ATOM 761 OD1 ASN A 54 -3.236 13.164 -9.300 1.00 2.06 O ATOM 762 ND2 ASN A 54 -4.957 11.768 -8.984 1.00 1.22 N ATOM 0 H ASN A 54 -1.055 9.334 -10.346 1.00 0.79 H new ATOM 0 HA ASN A 54 -0.958 11.917 -9.604 1.00 0.77 H new ATOM 0 HB2 ASN A 54 -2.853 10.597 -10.624 1.00 0.75 H new ATOM 0 HB3 ASN A 54 -3.211 9.950 -9.036 1.00 0.75 H new ATOM 0 HD21 ASN A 54 -5.598 12.536 -8.785 1.00 1.22 H new ATOM 0 HD22 ASN A 54 -5.294 10.805 -8.966 1.00 1.22 H new ATOM 769 N ALA A 55 -0.422 12.013 -7.256 1.00 0.45 N ATOM 770 CA ALA A 55 -0.189 12.326 -5.867 1.00 0.38 C ATOM 771 C ALA A 55 0.810 13.464 -5.738 1.00 0.49 C ATOM 772 O ALA A 55 1.614 13.697 -6.642 1.00 0.72 O ATOM 773 CB ALA A 55 0.332 11.094 -5.178 1.00 0.31 C ATOM 0 H ALA A 55 0.195 12.513 -7.896 1.00 0.45 H new ATOM 0 HA ALA A 55 -1.122 12.644 -5.402 1.00 0.38 H new ATOM 0 HB1 ALA A 55 0.513 11.315 -4.126 1.00 0.31 H new ATOM 0 HB2 ALA A 55 -0.403 10.293 -5.259 1.00 0.31 H new ATOM 0 HB3 ALA A 55 1.264 10.780 -5.649 1.00 0.31 H new ATOM 779 N LYS A 56 0.753 14.165 -4.615 1.00 0.48 N ATOM 780 CA LYS A 56 1.647 15.279 -4.356 1.00 0.59 C ATOM 781 C LYS A 56 2.209 15.187 -2.944 1.00 0.45 C ATOM 782 O LYS A 56 3.392 14.914 -2.748 1.00 0.50 O ATOM 783 CB LYS A 56 0.917 16.611 -4.547 1.00 0.79 C ATOM 784 CG LYS A 56 0.501 16.864 -5.982 1.00 1.43 C ATOM 785 CD LYS A 56 1.711 17.082 -6.871 1.00 1.46 C ATOM 786 CE LYS A 56 1.404 16.725 -8.309 1.00 1.71 C ATOM 787 NZ LYS A 56 2.542 17.035 -9.211 1.00 2.30 N ATOM 0 H LYS A 56 0.089 13.978 -3.863 1.00 0.48 H new ATOM 0 HA LYS A 56 2.472 15.231 -5.067 1.00 0.59 H new ATOM 0 HB2 LYS A 56 0.032 16.627 -3.911 1.00 0.79 H new ATOM 0 HB3 LYS A 56 1.564 17.423 -4.214 1.00 0.79 H new ATOM 0 HG2 LYS A 56 -0.077 16.017 -6.351 1.00 1.43 H new ATOM 0 HG3 LYS A 56 -0.149 17.738 -6.027 1.00 1.43 H new ATOM 0 HD2 LYS A 56 2.027 18.124 -6.811 1.00 1.46 H new ATOM 0 HD3 LYS A 56 2.543 16.476 -6.513 1.00 1.46 H new ATOM 0 HE2 LYS A 56 1.166 15.664 -8.377 1.00 1.71 H new ATOM 0 HE3 LYS A 56 0.520 17.272 -8.638 1.00 1.71 H new ATOM 0 HZ1 LYS A 56 2.292 16.776 -10.187 1.00 2.30 H new ATOM 0 HZ2 LYS A 56 2.753 18.052 -9.166 1.00 2.30 H new ATOM 0 HZ3 LYS A 56 3.379 16.494 -8.913 1.00 2.30 H new ATOM 801 N ASN A 57 1.350 15.413 -1.962 1.00 0.36 N ATOM 802 CA ASN A 57 1.728 15.282 -0.569 1.00 0.26 C ATOM 803 C ASN A 57 0.871 14.212 0.073 1.00 0.22 C ATOM 804 O ASN A 57 0.115 13.537 -0.625 1.00 0.24 O ATOM 805 CB ASN A 57 1.555 16.610 0.172 1.00 0.31 C ATOM 806 CG ASN A 57 2.389 17.735 -0.415 1.00 0.35 C ATOM 807 OD1 ASN A 57 3.604 17.422 -0.838 1.00 1.02 O flip ATOM 808 ND2 ASN A 57 1.948 18.885 -0.470 1.00 1.32 N flip ATOM 0 H ASN A 57 0.379 15.690 -2.109 1.00 0.36 H new ATOM 0 HA ASN A 57 2.779 15.001 -0.510 1.00 0.26 H new ATOM 0 HB2 ASN A 57 0.504 16.896 0.151 1.00 0.31 H new ATOM 0 HB3 ASN A 57 1.827 16.473 1.219 1.00 0.31 H new ATOM 0 HD21 ASN A 57 1.006 19.087 -0.134 1.00 1.32 H new ATOM 0 HD22 ASN A 57 2.525 19.635 -0.852 1.00 1.32 H new ATOM 815 N GLU A 58 0.967 14.061 1.383 1.00 0.23 N ATOM 816 CA GLU A 58 0.255 13.002 2.082 1.00 0.23 C ATOM 817 C GLU A 58 -1.257 13.171 1.949 1.00 0.30 C ATOM 818 O GLU A 58 -1.999 12.191 1.839 1.00 0.36 O ATOM 819 CB GLU A 58 0.690 12.964 3.542 1.00 0.27 C ATOM 820 CG GLU A 58 -0.355 13.471 4.499 1.00 0.36 C ATOM 821 CD GLU A 58 0.118 13.521 5.937 1.00 0.46 C ATOM 822 OE1 GLU A 58 0.675 14.562 6.346 1.00 0.68 O ATOM 823 OE2 GLU A 58 -0.075 12.528 6.670 1.00 0.59 O ATOM 0 H GLU A 58 1.532 14.659 1.986 1.00 0.23 H new ATOM 0 HA GLU A 58 0.508 12.046 1.623 1.00 0.23 H new ATOM 0 HB2 GLU A 58 0.947 11.939 3.809 1.00 0.27 H new ATOM 0 HB3 GLU A 58 1.595 13.560 3.658 1.00 0.27 H new ATOM 0 HG2 GLU A 58 -0.664 14.470 4.191 1.00 0.36 H new ATOM 0 HG3 GLU A 58 -1.235 12.831 4.436 1.00 0.36 H new ATOM 830 N ASP A 59 -1.703 14.412 1.939 1.00 0.37 N ATOM 831 CA ASP A 59 -3.112 14.714 1.744 1.00 0.48 C ATOM 832 C ASP A 59 -3.527 14.382 0.317 1.00 0.41 C ATOM 833 O ASP A 59 -4.640 13.922 0.068 1.00 0.50 O ATOM 834 CB ASP A 59 -3.390 16.183 2.046 1.00 0.63 C ATOM 835 CG ASP A 59 -4.786 16.608 1.635 1.00 0.65 C ATOM 836 OD1 ASP A 59 -5.745 16.324 2.383 1.00 0.90 O ATOM 837 OD2 ASP A 59 -4.933 17.227 0.559 1.00 0.55 O ATOM 0 H ASP A 59 -1.109 15.232 2.064 1.00 0.37 H new ATOM 0 HA ASP A 59 -3.697 14.103 2.432 1.00 0.48 H new ATOM 0 HB2 ASP A 59 -3.259 16.362 3.113 1.00 0.63 H new ATOM 0 HB3 ASP A 59 -2.658 16.802 1.527 1.00 0.63 H new ATOM 842 N GLY A 60 -2.607 14.601 -0.612 1.00 0.35 N ATOM 843 CA GLY A 60 -2.880 14.346 -2.009 1.00 0.41 C ATOM 844 C GLY A 60 -2.924 12.874 -2.335 1.00 0.43 C ATOM 845 O GLY A 60 -3.898 12.392 -2.906 1.00 0.83 O ATOM 0 H GLY A 60 -1.670 14.954 -0.419 1.00 0.35 H new ATOM 0 HA2 GLY A 60 -3.833 14.802 -2.278 1.00 0.41 H new ATOM 0 HA3 GLY A 60 -2.114 14.826 -2.618 1.00 0.41 H new ATOM 849 N ILE A 61 -1.877 12.158 -1.953 1.00 0.25 N ATOM 850 CA ILE A 61 -1.724 10.767 -2.316 1.00 0.20 C ATOM 851 C ILE A 61 -2.865 9.914 -1.807 1.00 0.15 C ATOM 852 O ILE A 61 -3.544 9.237 -2.575 1.00 0.17 O ATOM 853 CB ILE A 61 -0.384 10.207 -1.788 1.00 0.21 C ATOM 854 CG1 ILE A 61 -0.298 8.711 -2.026 1.00 0.19 C ATOM 855 CG2 ILE A 61 -0.191 10.507 -0.309 1.00 0.23 C ATOM 856 CD1 ILE A 61 -0.726 8.287 -3.423 1.00 0.20 C ATOM 0 H ILE A 61 -1.115 12.528 -1.385 1.00 0.25 H new ATOM 0 HA ILE A 61 -1.732 10.725 -3.405 1.00 0.20 H new ATOM 0 HB ILE A 61 0.413 10.704 -2.340 1.00 0.21 H new ATOM 0 HG12 ILE A 61 0.727 8.383 -1.855 1.00 0.19 H new ATOM 0 HG13 ILE A 61 -0.922 8.199 -1.294 1.00 0.19 H new ATOM 0 HG21 ILE A 61 0.762 10.097 0.024 1.00 0.23 H new ATOM 0 HG22 ILE A 61 -0.196 11.586 -0.153 1.00 0.23 H new ATOM 0 HG23 ILE A 61 -1.001 10.054 0.263 1.00 0.23 H new ATOM 0 HD11 ILE A 61 -0.637 7.205 -3.518 1.00 0.20 H new ATOM 0 HD12 ILE A 61 -1.762 8.583 -3.592 1.00 0.20 H new ATOM 0 HD13 ILE A 61 -0.086 8.770 -4.162 1.00 0.20 H new ATOM 868 N VAL A 62 -3.066 9.974 -0.525 1.00 0.14 N ATOM 869 CA VAL A 62 -3.961 9.074 0.156 1.00 0.13 C ATOM 870 C VAL A 62 -5.402 9.321 -0.258 1.00 0.19 C ATOM 871 O VAL A 62 -6.171 8.387 -0.456 1.00 0.24 O ATOM 872 CB VAL A 62 -3.771 9.221 1.668 1.00 0.14 C ATOM 873 CG1 VAL A 62 -4.680 8.306 2.431 1.00 0.20 C ATOM 874 CG2 VAL A 62 -2.339 8.926 2.022 1.00 0.12 C ATOM 0 H VAL A 62 -2.612 10.652 0.087 1.00 0.14 H new ATOM 0 HA VAL A 62 -3.725 8.048 -0.126 1.00 0.13 H new ATOM 0 HB VAL A 62 -4.022 10.245 1.944 1.00 0.14 H new ATOM 0 HG11 VAL A 62 -4.516 8.439 3.500 1.00 0.20 H new ATOM 0 HG12 VAL A 62 -5.717 8.540 2.191 1.00 0.20 H new ATOM 0 HG13 VAL A 62 -4.469 7.272 2.157 1.00 0.20 H new ATOM 0 HG21 VAL A 62 -2.201 9.030 3.098 1.00 0.12 H new ATOM 0 HG22 VAL A 62 -2.092 7.908 1.721 1.00 0.12 H new ATOM 0 HG23 VAL A 62 -1.684 9.626 1.503 1.00 0.12 H new ATOM 884 N ASN A 63 -5.747 10.582 -0.424 1.00 0.23 N ATOM 885 CA ASN A 63 -7.062 10.954 -0.946 1.00 0.28 C ATOM 886 C ASN A 63 -7.209 10.500 -2.403 1.00 0.26 C ATOM 887 O ASN A 63 -8.302 10.162 -2.858 1.00 0.32 O ATOM 888 CB ASN A 63 -7.264 12.468 -0.855 1.00 0.39 C ATOM 889 CG ASN A 63 -8.659 12.903 -1.272 1.00 0.56 C ATOM 890 OD1 ASN A 63 -8.920 13.168 -2.447 1.00 1.17 O ATOM 891 ND2 ASN A 63 -9.559 12.994 -0.310 1.00 1.20 N ATOM 0 H ASN A 63 -5.140 11.372 -0.207 1.00 0.23 H new ATOM 0 HA ASN A 63 -7.821 10.457 -0.342 1.00 0.28 H new ATOM 0 HB2 ASN A 63 -7.078 12.794 0.168 1.00 0.39 H new ATOM 0 HB3 ASN A 63 -6.529 12.966 -1.487 1.00 0.39 H new ATOM 0 HD21 ASN A 63 -10.510 13.293 -0.528 1.00 1.20 H new ATOM 0 HD22 ASN A 63 -9.303 12.766 0.651 1.00 1.20 H new ATOM 898 N SER A 64 -6.093 10.502 -3.124 1.00 0.25 N ATOM 899 CA SER A 64 -6.050 10.066 -4.518 1.00 0.30 C ATOM 900 C SER A 64 -6.045 8.541 -4.629 1.00 0.28 C ATOM 901 O SER A 64 -6.165 7.987 -5.717 1.00 0.39 O ATOM 902 CB SER A 64 -4.802 10.642 -5.192 1.00 0.38 C ATOM 903 OG SER A 64 -4.993 11.999 -5.555 1.00 1.17 O ATOM 0 H SER A 64 -5.190 10.806 -2.759 1.00 0.25 H new ATOM 0 HA SER A 64 -6.946 10.432 -5.019 1.00 0.30 H new ATOM 0 HB2 SER A 64 -3.951 10.560 -4.516 1.00 0.38 H new ATOM 0 HB3 SER A 64 -4.562 10.056 -6.079 1.00 0.38 H new ATOM 0 HG SER A 64 -4.689 12.579 -4.825 1.00 1.17 H new ATOM 909 N LEU A 65 -5.856 7.877 -3.506 1.00 0.21 N ATOM 910 CA LEU A 65 -5.834 6.423 -3.456 1.00 0.20 C ATOM 911 C LEU A 65 -7.150 5.852 -2.963 1.00 0.20 C ATOM 912 O LEU A 65 -7.978 6.574 -2.416 1.00 0.22 O ATOM 913 CB LEU A 65 -4.716 5.946 -2.551 1.00 0.21 C ATOM 914 CG LEU A 65 -3.322 6.206 -3.069 1.00 0.30 C ATOM 915 CD1 LEU A 65 -2.309 5.843 -2.016 1.00 0.18 C ATOM 916 CD2 LEU A 65 -3.078 5.409 -4.327 1.00 0.71 C ATOM 0 H LEU A 65 -5.713 8.327 -2.602 1.00 0.21 H new ATOM 0 HA LEU A 65 -5.668 6.070 -4.474 1.00 0.20 H new ATOM 0 HB2 LEU A 65 -4.823 6.430 -1.580 1.00 0.21 H new ATOM 0 HB3 LEU A 65 -4.833 4.875 -2.388 1.00 0.21 H new ATOM 0 HG LEU A 65 -3.222 7.266 -3.304 1.00 0.30 H new ATOM 0 HD11 LEU A 65 -1.305 6.033 -2.396 1.00 0.18 H new ATOM 0 HD12 LEU A 65 -2.479 6.446 -1.124 1.00 0.18 H new ATOM 0 HD13 LEU A 65 -2.408 4.787 -1.765 1.00 0.18 H new ATOM 0 HD21 LEU A 65 -2.070 5.604 -4.692 1.00 0.71 H new ATOM 0 HD22 LEU A 65 -3.186 4.346 -4.111 1.00 0.71 H new ATOM 0 HD23 LEU A 65 -3.802 5.700 -5.088 1.00 0.71 H new ATOM 928 N ALA A 66 -7.353 4.563 -3.221 1.00 0.21 N ATOM 929 CA ALA A 66 -8.502 3.842 -2.691 1.00 0.21 C ATOM 930 C ALA A 66 -8.651 4.057 -1.200 1.00 0.17 C ATOM 931 O ALA A 66 -7.669 4.046 -0.450 1.00 0.15 O ATOM 932 CB ALA A 66 -8.382 2.354 -2.955 1.00 0.23 C ATOM 0 H ALA A 66 -6.732 3.995 -3.797 1.00 0.21 H new ATOM 0 HA ALA A 66 -9.381 4.235 -3.201 1.00 0.21 H new ATOM 0 HB1 ALA A 66 -9.254 1.841 -2.548 1.00 0.23 H new ATOM 0 HB2 ALA A 66 -8.326 2.178 -4.029 1.00 0.23 H new ATOM 0 HB3 ALA A 66 -7.480 1.971 -2.477 1.00 0.23 H new ATOM 938 N LYS A 67 -9.884 4.223 -0.775 1.00 0.21 N ATOM 939 CA LYS A 67 -10.180 4.459 0.618 1.00 0.22 C ATOM 940 C LYS A 67 -11.006 3.311 1.166 1.00 0.29 C ATOM 941 O LYS A 67 -11.944 2.846 0.514 1.00 0.38 O ATOM 942 CB LYS A 67 -10.935 5.777 0.792 1.00 0.26 C ATOM 943 CG LYS A 67 -10.292 6.971 0.097 1.00 0.26 C ATOM 944 CD LYS A 67 -8.811 7.130 0.423 1.00 0.35 C ATOM 945 CE LYS A 67 -8.563 7.729 1.799 1.00 0.45 C ATOM 946 NZ LYS A 67 -9.284 9.011 2.001 1.00 0.20 N ATOM 0 H LYS A 67 -10.704 4.198 -1.382 1.00 0.21 H new ATOM 0 HA LYS A 67 -9.242 4.525 1.169 1.00 0.22 H new ATOM 0 HB2 LYS A 67 -11.949 5.653 0.411 1.00 0.26 H new ATOM 0 HB3 LYS A 67 -11.019 5.995 1.857 1.00 0.26 H new ATOM 0 HG2 LYS A 67 -10.410 6.863 -0.981 1.00 0.26 H new ATOM 0 HG3 LYS A 67 -10.821 7.879 0.386 1.00 0.26 H new ATOM 0 HD2 LYS A 67 -8.326 6.156 0.365 1.00 0.35 H new ATOM 0 HD3 LYS A 67 -8.345 7.764 -0.332 1.00 0.35 H new ATOM 0 HE2 LYS A 67 -8.875 7.017 2.563 1.00 0.45 H new ATOM 0 HE3 LYS A 67 -7.494 7.893 1.933 1.00 0.45 H new ATOM 0 HZ1 LYS A 67 -8.850 9.533 2.789 1.00 0.20 H new ATOM 0 HZ2 LYS A 67 -9.226 9.582 1.134 1.00 0.20 H new ATOM 0 HZ3 LYS A 67 -10.282 8.817 2.222 1.00 0.20 H new ATOM 960 N ASP A 68 -10.648 2.847 2.351 1.00 0.30 N ATOM 961 CA ASP A 68 -11.388 1.771 2.990 1.00 0.42 C ATOM 962 C ASP A 68 -12.551 2.373 3.774 1.00 0.49 C ATOM 963 O ASP A 68 -12.628 3.595 3.909 1.00 0.64 O ATOM 964 CB ASP A 68 -10.480 0.930 3.898 1.00 0.50 C ATOM 965 CG ASP A 68 -10.264 1.542 5.262 1.00 1.21 C ATOM 966 OD1 ASP A 68 -10.602 0.872 6.256 1.00 1.35 O ATOM 967 OD2 ASP A 68 -9.767 2.681 5.347 1.00 2.24 O ATOM 0 H ASP A 68 -9.854 3.196 2.888 1.00 0.30 H new ATOM 0 HA ASP A 68 -11.777 1.098 2.226 1.00 0.42 H new ATOM 0 HB2 ASP A 68 -10.916 -0.062 4.018 1.00 0.50 H new ATOM 0 HB3 ASP A 68 -9.514 0.797 3.411 1.00 0.50 H new ATOM 972 N LYS A 69 -13.467 1.558 4.267 1.00 0.58 N ATOM 973 CA LYS A 69 -14.681 2.110 4.851 1.00 0.74 C ATOM 974 C LYS A 69 -14.520 2.490 6.325 1.00 0.70 C ATOM 975 O LYS A 69 -14.834 3.617 6.714 1.00 0.84 O ATOM 976 CB LYS A 69 -15.845 1.138 4.676 1.00 0.94 C ATOM 977 CG LYS A 69 -17.189 1.690 5.138 1.00 0.98 C ATOM 978 CD LYS A 69 -17.521 3.019 4.478 1.00 1.81 C ATOM 979 CE LYS A 69 -17.803 2.847 2.996 1.00 2.24 C ATOM 980 NZ LYS A 69 -19.144 2.257 2.747 1.00 3.13 N ATOM 0 H LYS A 69 -13.400 0.540 4.277 1.00 0.58 H new ATOM 0 HA LYS A 69 -14.893 3.034 4.313 1.00 0.74 H new ATOM 0 HB2 LYS A 69 -15.919 0.862 3.624 1.00 0.94 H new ATOM 0 HB3 LYS A 69 -15.629 0.225 5.231 1.00 0.94 H new ATOM 0 HG2 LYS A 69 -17.974 0.968 4.912 1.00 0.98 H new ATOM 0 HG3 LYS A 69 -17.175 1.817 6.220 1.00 0.98 H new ATOM 0 HD2 LYS A 69 -18.389 3.462 4.966 1.00 1.81 H new ATOM 0 HD3 LYS A 69 -16.691 3.712 4.614 1.00 1.81 H new ATOM 0 HE2 LYS A 69 -17.736 3.815 2.500 1.00 2.24 H new ATOM 0 HE3 LYS A 69 -17.039 2.208 2.554 1.00 2.24 H new ATOM 0 HZ1 LYS A 69 -19.308 2.189 1.722 1.00 3.13 H new ATOM 0 HZ2 LYS A 69 -19.189 1.308 3.169 1.00 3.13 H new ATOM 0 HZ3 LYS A 69 -19.874 2.861 3.175 1.00 3.13 H new ATOM 994 N SER A 70 -14.024 1.571 7.141 1.00 0.59 N ATOM 995 CA SER A 70 -14.041 1.772 8.588 1.00 0.65 C ATOM 996 C SER A 70 -12.674 2.128 9.167 1.00 0.70 C ATOM 997 O SER A 70 -12.579 2.878 10.143 1.00 0.87 O ATOM 998 CB SER A 70 -14.593 0.528 9.277 1.00 0.65 C ATOM 999 OG SER A 70 -13.985 -0.647 8.765 1.00 1.13 O ATOM 0 H SER A 70 -13.610 0.690 6.835 1.00 0.59 H new ATOM 0 HA SER A 70 -14.689 2.628 8.778 1.00 0.65 H new ATOM 0 HB2 SER A 70 -14.418 0.594 10.351 1.00 0.65 H new ATOM 0 HB3 SER A 70 -15.672 0.476 9.133 1.00 0.65 H new ATOM 0 HG SER A 70 -14.353 -1.432 9.222 1.00 1.13 H new ATOM 1005 N GLY A 71 -11.619 1.596 8.567 1.00 0.62 N ATOM 1006 CA GLY A 71 -10.294 1.746 9.130 1.00 0.73 C ATOM 1007 C GLY A 71 -10.055 0.775 10.267 1.00 0.69 C ATOM 1008 O GLY A 71 -9.076 0.897 10.999 1.00 0.76 O ATOM 0 H GLY A 71 -11.658 1.062 7.699 1.00 0.62 H new ATOM 0 HA2 GLY A 71 -9.548 1.586 8.352 1.00 0.73 H new ATOM 0 HA3 GLY A 71 -10.165 2.767 9.490 1.00 0.73 H new ATOM 1012 N ASN A 72 -10.933 -0.220 10.397 1.00 0.63 N ATOM 1013 CA ASN A 72 -10.881 -1.148 11.529 1.00 0.68 C ATOM 1014 C ASN A 72 -9.694 -2.094 11.425 1.00 0.62 C ATOM 1015 O ASN A 72 -9.418 -2.862 12.346 1.00 0.61 O ATOM 1016 CB ASN A 72 -12.176 -1.964 11.640 1.00 0.86 C ATOM 1017 CG ASN A 72 -13.338 -1.178 12.228 1.00 1.31 C ATOM 1018 OD1 ASN A 72 -13.046 -0.243 13.120 1.00 2.16 O flip ATOM 1019 ND2 ASN A 72 -14.495 -1.422 11.891 1.00 1.67 N flip ATOM 0 H ASN A 72 -11.687 -0.404 9.735 1.00 0.63 H new ATOM 0 HA ASN A 72 -10.765 -0.541 12.427 1.00 0.68 H new ATOM 0 HB2 ASN A 72 -12.455 -2.325 10.650 1.00 0.86 H new ATOM 0 HB3 ASN A 72 -11.991 -2.842 12.259 1.00 0.86 H new ATOM 0 HD21 ASN A 72 -14.683 -2.149 11.201 1.00 1.67 H new ATOM 0 HD22 ASN A 72 -15.267 -0.897 12.301 1.00 1.67 H new ATOM 1026 N SER A 73 -8.993 -2.037 10.307 1.00 0.68 N ATOM 1027 CA SER A 73 -7.836 -2.887 10.092 1.00 0.70 C ATOM 1028 C SER A 73 -6.559 -2.222 10.593 1.00 0.61 C ATOM 1029 O SER A 73 -5.499 -2.844 10.612 1.00 0.64 O ATOM 1030 CB SER A 73 -7.695 -3.212 8.609 1.00 0.92 C ATOM 1031 OG SER A 73 -8.898 -3.746 8.088 1.00 1.74 O ATOM 0 H SER A 73 -9.206 -1.409 9.532 1.00 0.68 H new ATOM 0 HA SER A 73 -7.988 -3.807 10.656 1.00 0.70 H new ATOM 0 HB2 SER A 73 -7.426 -2.310 8.060 1.00 0.92 H new ATOM 0 HB3 SER A 73 -6.884 -3.926 8.465 1.00 0.92 H new ATOM 0 HG SER A 73 -9.303 -3.100 7.473 1.00 1.74 H new ATOM 1037 N SER A 74 -6.680 -0.955 11.001 1.00 0.56 N ATOM 1038 CA SER A 74 -5.527 -0.150 11.390 1.00 0.56 C ATOM 1039 C SER A 74 -4.563 -0.058 10.208 1.00 0.57 C ATOM 1040 O SER A 74 -3.406 -0.472 10.280 1.00 1.03 O ATOM 1041 CB SER A 74 -4.843 -0.746 12.627 1.00 0.67 C ATOM 1042 OG SER A 74 -3.936 0.173 13.215 1.00 1.30 O ATOM 0 H SER A 74 -7.572 -0.466 11.069 1.00 0.56 H new ATOM 0 HA SER A 74 -5.854 0.855 11.657 1.00 0.56 H new ATOM 0 HB2 SER A 74 -5.598 -1.032 13.359 1.00 0.67 H new ATOM 0 HB3 SER A 74 -4.311 -1.655 12.347 1.00 0.67 H new ATOM 0 HG SER A 74 -3.519 -0.237 14.001 1.00 1.30 H new ATOM 1048 N THR A 75 -5.065 0.512 9.125 1.00 0.33 N ATOM 1049 CA THR A 75 -4.375 0.509 7.845 1.00 0.26 C ATOM 1050 C THR A 75 -3.236 1.527 7.820 1.00 0.25 C ATOM 1051 O THR A 75 -2.429 1.539 6.890 1.00 0.24 O ATOM 1052 CB THR A 75 -5.381 0.800 6.708 1.00 0.25 C ATOM 1053 OG1 THR A 75 -4.793 0.567 5.425 1.00 0.32 O ATOM 1054 CG2 THR A 75 -5.868 2.235 6.784 1.00 0.28 C ATOM 0 H THR A 75 -5.965 0.991 9.108 1.00 0.33 H new ATOM 0 HA THR A 75 -3.937 -0.478 7.697 1.00 0.26 H new ATOM 0 HB THR A 75 -6.225 0.122 6.835 1.00 0.25 H new ATOM 0 HG1 THR A 75 -5.244 1.120 4.753 1.00 0.32 H new ATOM 0 HG21 THR A 75 -6.575 2.422 5.976 1.00 0.28 H new ATOM 0 HG22 THR A 75 -6.359 2.402 7.743 1.00 0.28 H new ATOM 0 HG23 THR A 75 -5.020 2.913 6.688 1.00 0.28 H new ATOM 1062 N SER A 76 -3.180 2.374 8.850 1.00 0.27 N ATOM 1063 CA SER A 76 -2.159 3.419 8.975 1.00 0.29 C ATOM 1064 C SER A 76 -2.354 4.523 7.932 1.00 0.24 C ATOM 1065 O SER A 76 -2.235 5.708 8.246 1.00 0.29 O ATOM 1066 CB SER A 76 -0.752 2.827 8.874 1.00 0.35 C ATOM 1067 OG SER A 76 -0.570 1.790 9.823 1.00 0.94 O ATOM 0 H SER A 76 -3.844 2.355 9.624 1.00 0.27 H new ATOM 0 HA SER A 76 -2.273 3.868 9.962 1.00 0.29 H new ATOM 0 HB2 SER A 76 -0.588 2.438 7.869 1.00 0.35 H new ATOM 0 HB3 SER A 76 -0.011 3.610 9.038 1.00 0.35 H new ATOM 0 HG SER A 76 0.336 1.425 9.739 1.00 0.94 H new ATOM 1073 N ALA A 77 -2.645 4.137 6.695 1.00 0.17 N ATOM 1074 CA ALA A 77 -2.940 5.101 5.648 1.00 0.15 C ATOM 1075 C ALA A 77 -4.260 5.772 5.938 1.00 0.16 C ATOM 1076 O ALA A 77 -5.283 5.105 6.041 1.00 0.24 O ATOM 1077 CB ALA A 77 -3.001 4.436 4.292 1.00 0.14 C ATOM 0 H ALA A 77 -2.682 3.163 6.395 1.00 0.17 H new ATOM 0 HA ALA A 77 -2.140 5.841 5.631 1.00 0.15 H new ATOM 0 HB1 ALA A 77 -3.223 5.183 3.530 1.00 0.14 H new ATOM 0 HB2 ALA A 77 -2.041 3.968 4.073 1.00 0.14 H new ATOM 0 HB3 ALA A 77 -3.783 3.676 4.294 1.00 0.14 H new ATOM 1083 N PRO A 78 -4.248 7.094 6.081 1.00 0.15 N ATOM 1084 CA PRO A 78 -5.442 7.854 6.455 1.00 0.16 C ATOM 1085 C PRO A 78 -6.654 7.513 5.581 1.00 0.16 C ATOM 1086 O PRO A 78 -6.769 7.952 4.439 1.00 0.17 O ATOM 1087 CB PRO A 78 -4.979 9.292 6.231 1.00 0.19 C ATOM 1088 CG PRO A 78 -3.527 9.244 6.510 1.00 0.20 C ATOM 1089 CD PRO A 78 -3.069 7.957 5.911 1.00 0.17 C ATOM 0 HA PRO A 78 -5.784 7.646 7.469 1.00 0.16 H new ATOM 0 HB2 PRO A 78 -5.180 9.622 5.212 1.00 0.19 H new ATOM 0 HB3 PRO A 78 -5.492 9.986 6.898 1.00 0.19 H new ATOM 0 HG2 PRO A 78 -3.010 10.094 6.065 1.00 0.20 H new ATOM 0 HG3 PRO A 78 -3.328 9.275 7.581 1.00 0.20 H new ATOM 0 HD2 PRO A 78 -2.797 8.071 4.862 1.00 0.17 H new ATOM 0 HD3 PRO A 78 -2.195 7.557 6.425 1.00 0.17 H new ATOM 1097 N GLY A 79 -7.573 6.760 6.171 1.00 0.18 N ATOM 1098 CA GLY A 79 -8.773 6.308 5.482 1.00 0.22 C ATOM 1099 C GLY A 79 -8.507 5.503 4.209 1.00 0.17 C ATOM 1100 O GLY A 79 -9.421 5.297 3.418 1.00 0.20 O ATOM 0 H GLY A 79 -7.507 6.446 7.139 1.00 0.18 H new ATOM 0 HA2 GLY A 79 -9.362 5.698 6.167 1.00 0.22 H new ATOM 0 HA3 GLY A 79 -9.380 7.177 5.227 1.00 0.22 H new ATOM 1104 N SER A 80 -7.279 5.041 4.002 1.00 0.17 N ATOM 1105 CA SER A 80 -6.905 4.422 2.732 1.00 0.14 C ATOM 1106 C SER A 80 -6.736 2.920 2.812 1.00 0.21 C ATOM 1107 O SER A 80 -6.320 2.360 3.822 1.00 0.49 O ATOM 1108 CB SER A 80 -5.617 5.029 2.225 1.00 0.18 C ATOM 1109 OG SER A 80 -5.817 5.720 1.003 1.00 0.58 O ATOM 0 H SER A 80 -6.528 5.082 4.691 1.00 0.17 H new ATOM 0 HA SER A 80 -7.731 4.617 2.048 1.00 0.14 H new ATOM 0 HB2 SER A 80 -5.218 5.715 2.972 1.00 0.18 H new ATOM 0 HB3 SER A 80 -4.874 4.244 2.084 1.00 0.18 H new ATOM 0 HG SER A 80 -6.402 5.192 0.420 1.00 0.58 H new ATOM 1115 N ALA A 81 -7.017 2.294 1.686 1.00 0.14 N ATOM 1116 CA ALA A 81 -6.942 0.859 1.544 1.00 0.17 C ATOM 1117 C ALA A 81 -5.535 0.374 1.214 1.00 0.17 C ATOM 1118 O ALA A 81 -5.358 -0.466 0.331 1.00 0.21 O ATOM 1119 CB ALA A 81 -7.898 0.420 0.456 1.00 0.21 C ATOM 0 H ALA A 81 -7.307 2.776 0.835 1.00 0.14 H new ATOM 0 HA ALA A 81 -7.216 0.418 2.502 1.00 0.17 H new ATOM 0 HB1 ALA A 81 -7.847 -0.663 0.342 1.00 0.21 H new ATOM 0 HB2 ALA A 81 -8.914 0.710 0.726 1.00 0.21 H new ATOM 0 HB3 ALA A 81 -7.622 0.897 -0.485 1.00 0.21 H new ATOM 1125 N HIS A 82 -4.525 0.912 1.880 1.00 0.18 N ATOM 1126 CA HIS A 82 -3.186 0.381 1.738 1.00 0.19 C ATOM 1127 C HIS A 82 -2.442 0.377 3.070 1.00 0.19 C ATOM 1128 O HIS A 82 -2.312 1.409 3.723 1.00 0.19 O ATOM 1129 CB HIS A 82 -2.387 1.171 0.702 1.00 0.19 C ATOM 1130 CG HIS A 82 -2.881 1.044 -0.711 1.00 0.45 C ATOM 1131 ND1 HIS A 82 -2.549 -0.003 -1.539 1.00 0.66 N ATOM 1132 CD2 HIS A 82 -3.696 1.849 -1.440 1.00 0.65 C ATOM 1133 CE1 HIS A 82 -3.138 0.159 -2.710 1.00 0.88 C ATOM 1134 NE2 HIS A 82 -3.840 1.274 -2.676 1.00 0.88 N ATOM 0 H HIS A 82 -4.608 1.706 2.515 1.00 0.18 H new ATOM 0 HA HIS A 82 -3.286 -0.649 1.395 1.00 0.19 H new ATOM 0 HB2 HIS A 82 -2.399 2.224 0.982 1.00 0.19 H new ATOM 0 HB3 HIS A 82 -1.348 0.843 0.739 1.00 0.19 H new ATOM 0 HD1 HIS A 82 -1.942 -0.783 -1.288 1.00 0.66 H new ATOM 0 HD2 HIS A 82 -4.147 2.772 -1.107 1.00 0.65 H new ATOM 0 HE1 HIS A 82 -3.058 -0.510 -3.554 1.00 0.88 H new ATOM 1143 N GLN A 83 -1.934 -0.791 3.437 1.00 0.22 N ATOM 1144 CA GLN A 83 -1.135 -0.962 4.641 1.00 0.25 C ATOM 1145 C GLN A 83 -0.074 -2.011 4.379 1.00 0.22 C ATOM 1146 O GLN A 83 -0.383 -3.150 4.071 1.00 0.20 O ATOM 1147 CB GLN A 83 -2.019 -1.385 5.823 1.00 0.34 C ATOM 1148 CG GLN A 83 -1.272 -2.045 6.987 1.00 0.74 C ATOM 1149 CD GLN A 83 -0.495 -1.085 7.880 1.00 1.25 C ATOM 1150 OE1 GLN A 83 -0.025 0.022 7.331 1.00 1.78 O flip ATOM 1151 NE2 GLN A 83 -0.323 -1.341 9.070 1.00 2.09 N flip ATOM 0 H GLN A 83 -2.066 -1.651 2.905 1.00 0.22 H new ATOM 0 HA GLN A 83 -0.662 -0.014 4.898 1.00 0.25 H new ATOM 0 HB2 GLN A 83 -2.542 -0.506 6.199 1.00 0.34 H new ATOM 0 HB3 GLN A 83 -2.779 -2.077 5.460 1.00 0.34 H new ATOM 0 HG2 GLN A 83 -1.992 -2.586 7.601 1.00 0.74 H new ATOM 0 HG3 GLN A 83 -0.579 -2.783 6.583 1.00 0.74 H new ATOM 0 HE21 GLN A 83 -0.698 -2.203 9.465 1.00 2.09 H new ATOM 0 HE22 GLN A 83 0.194 -0.691 9.662 1.00 2.09 H new ATOM 1160 N ILE A 84 1.168 -1.621 4.505 1.00 0.23 N ATOM 1161 CA ILE A 84 2.273 -2.489 4.194 1.00 0.21 C ATOM 1162 C ILE A 84 2.687 -3.368 5.375 1.00 0.25 C ATOM 1163 O ILE A 84 2.680 -2.934 6.529 1.00 0.29 O ATOM 1164 CB ILE A 84 3.438 -1.628 3.696 1.00 0.24 C ATOM 1165 CG1 ILE A 84 3.207 -1.332 2.223 1.00 0.21 C ATOM 1166 CG2 ILE A 84 4.790 -2.282 3.931 1.00 0.29 C ATOM 1167 CD1 ILE A 84 2.991 0.129 1.916 1.00 0.20 C ATOM 0 H ILE A 84 1.442 -0.692 4.826 1.00 0.23 H new ATOM 0 HA ILE A 84 1.963 -3.184 3.413 1.00 0.21 H new ATOM 0 HB ILE A 84 3.465 -0.699 4.266 1.00 0.24 H new ATOM 0 HG12 ILE A 84 4.064 -1.689 1.653 1.00 0.21 H new ATOM 0 HG13 ILE A 84 2.339 -1.896 1.882 1.00 0.21 H new ATOM 0 HG21 ILE A 84 5.580 -1.629 3.559 1.00 0.29 H new ATOM 0 HG22 ILE A 84 4.932 -2.451 4.998 1.00 0.29 H new ATOM 0 HG23 ILE A 84 4.830 -3.235 3.404 1.00 0.29 H new ATOM 0 HD11 ILE A 84 2.834 0.256 0.845 1.00 0.20 H new ATOM 0 HD12 ILE A 84 2.116 0.489 2.457 1.00 0.20 H new ATOM 0 HD13 ILE A 84 3.867 0.699 2.224 1.00 0.20 H new ATOM 1179 N ASP A 85 3.025 -4.617 5.067 1.00 0.28 N ATOM 1180 CA ASP A 85 3.515 -5.559 6.064 1.00 0.32 C ATOM 1181 C ASP A 85 5.011 -5.415 6.206 1.00 0.38 C ATOM 1182 O ASP A 85 5.747 -5.629 5.254 1.00 0.37 O ATOM 1183 CB ASP A 85 3.205 -7.002 5.664 1.00 0.27 C ATOM 1184 CG ASP A 85 3.656 -7.992 6.718 1.00 0.36 C ATOM 1185 OD1 ASP A 85 2.969 -8.109 7.754 1.00 0.46 O ATOM 1186 OD2 ASP A 85 4.698 -8.652 6.516 1.00 0.54 O ATOM 0 H ASP A 85 2.967 -5.001 4.124 1.00 0.28 H new ATOM 0 HA ASP A 85 3.015 -5.336 7.007 1.00 0.32 H new ATOM 0 HB2 ASP A 85 2.133 -7.110 5.500 1.00 0.27 H new ATOM 0 HB3 ASP A 85 3.697 -7.230 4.718 1.00 0.27 H new ATOM 1191 N THR A 86 5.461 -5.048 7.379 1.00 0.49 N ATOM 1192 CA THR A 86 6.867 -4.823 7.603 1.00 0.58 C ATOM 1193 C THR A 86 7.594 -6.101 7.991 1.00 0.57 C ATOM 1194 O THR A 86 8.800 -6.222 7.777 1.00 0.63 O ATOM 1195 CB THR A 86 7.049 -3.751 8.668 1.00 0.75 C ATOM 1196 OG1 THR A 86 6.253 -4.072 9.814 1.00 0.81 O ATOM 1197 CG2 THR A 86 6.620 -2.416 8.101 1.00 0.82 C ATOM 0 H THR A 86 4.871 -4.898 8.198 1.00 0.49 H new ATOM 0 HA THR A 86 7.309 -4.481 6.667 1.00 0.58 H new ATOM 0 HB THR A 86 8.096 -3.701 8.967 1.00 0.75 H new ATOM 0 HG1 THR A 86 6.373 -3.382 10.499 1.00 0.81 H new ATOM 0 HG21 THR A 86 6.747 -1.642 8.858 1.00 0.82 H new ATOM 0 HG22 THR A 86 7.231 -2.177 7.231 1.00 0.82 H new ATOM 0 HG23 THR A 86 5.572 -2.466 7.805 1.00 0.82 H new ATOM 1205 N THR A 87 6.850 -7.053 8.542 1.00 0.52 N ATOM 1206 CA THR A 87 7.407 -8.335 8.940 1.00 0.54 C ATOM 1207 C THR A 87 8.122 -9.008 7.770 1.00 0.50 C ATOM 1208 O THR A 87 9.297 -9.360 7.864 1.00 0.54 O ATOM 1209 CB THR A 87 6.302 -9.268 9.468 1.00 0.58 C ATOM 1210 OG1 THR A 87 5.595 -8.629 10.537 1.00 0.71 O ATOM 1211 CG2 THR A 87 6.888 -10.579 9.957 1.00 0.58 C ATOM 0 H THR A 87 5.851 -6.957 8.723 1.00 0.52 H new ATOM 0 HA THR A 87 8.129 -8.147 9.735 1.00 0.54 H new ATOM 0 HB THR A 87 5.614 -9.480 8.650 1.00 0.58 H new ATOM 0 HG1 THR A 87 4.892 -9.227 10.868 1.00 0.71 H new ATOM 0 HG21 THR A 87 6.087 -11.221 10.325 1.00 0.58 H new ATOM 0 HG22 THR A 87 7.403 -11.076 9.135 1.00 0.58 H new ATOM 0 HG23 THR A 87 7.595 -10.383 10.763 1.00 0.58 H new ATOM 1219 N ASN A 88 7.410 -9.187 6.668 1.00 0.47 N ATOM 1220 CA ASN A 88 7.996 -9.789 5.476 1.00 0.53 C ATOM 1221 C ASN A 88 8.372 -8.717 4.466 1.00 0.52 C ATOM 1222 O ASN A 88 9.065 -8.985 3.482 1.00 0.64 O ATOM 1223 CB ASN A 88 7.027 -10.791 4.842 1.00 0.59 C ATOM 1224 CG ASN A 88 6.979 -12.125 5.571 1.00 0.76 C ATOM 1225 OD1 ASN A 88 7.297 -12.123 6.857 1.00 1.26 O flip ATOM 1226 ND2 ASN A 88 6.669 -13.155 4.976 1.00 1.50 N flip ATOM 0 H ASN A 88 6.429 -8.926 6.572 1.00 0.47 H new ATOM 0 HA ASN A 88 8.899 -10.321 5.775 1.00 0.53 H new ATOM 0 HB2 ASN A 88 6.027 -10.358 4.825 1.00 0.59 H new ATOM 0 HB3 ASN A 88 7.318 -10.961 3.806 1.00 0.59 H new ATOM 0 HD21 ASN A 88 6.430 -13.119 3.985 1.00 1.50 H new ATOM 0 HD22 ASN A 88 6.651 -14.045 5.473 1.00 1.50 H new ATOM 1233 N HIS A 89 7.886 -7.503 4.731 1.00 0.47 N ATOM 1234 CA HIS A 89 8.149 -6.331 3.900 1.00 0.53 C ATOM 1235 C HIS A 89 7.395 -6.443 2.588 1.00 0.43 C ATOM 1236 O HIS A 89 7.965 -6.371 1.498 1.00 0.45 O ATOM 1237 CB HIS A 89 9.640 -6.110 3.660 1.00 0.72 C ATOM 1238 CG HIS A 89 10.309 -5.283 4.716 1.00 0.91 C ATOM 1239 ND1 HIS A 89 10.047 -4.027 5.153 1.00 1.28 N flip ATOM 1240 CD2 HIS A 89 11.407 -5.709 5.427 1.00 0.96 C flip ATOM 1241 CE1 HIS A 89 10.983 -3.723 6.109 1.00 1.48 C flip ATOM 1242 NE2 HIS A 89 11.790 -4.756 6.255 1.00 1.26 N flip ATOM 0 H HIS A 89 7.293 -7.306 5.537 1.00 0.47 H new ATOM 0 HA HIS A 89 7.790 -5.456 4.442 1.00 0.53 H new ATOM 0 HB2 HIS A 89 10.136 -7.079 3.602 1.00 0.72 H new ATOM 0 HB3 HIS A 89 9.774 -5.625 2.693 1.00 0.72 H new ATOM 0 HD1 HIS A 89 9.293 -3.420 4.831 1.00 1.28 H new ATOM 0 HD2 HIS A 89 11.882 -6.674 5.323 1.00 0.96 H new ATOM 0 HE1 HIS A 89 11.048 -2.792 6.652 1.00 1.48 H new ATOM 1251 N LYS A 90 6.094 -6.599 2.728 1.00 0.35 N ATOM 1252 CA LYS A 90 5.191 -6.743 1.612 1.00 0.28 C ATOM 1253 C LYS A 90 4.310 -5.516 1.488 1.00 0.23 C ATOM 1254 O LYS A 90 3.924 -4.912 2.485 1.00 0.26 O ATOM 1255 CB LYS A 90 4.315 -7.966 1.852 1.00 0.30 C ATOM 1256 CG LYS A 90 4.894 -9.271 1.335 1.00 0.33 C ATOM 1257 CD LYS A 90 3.977 -10.440 1.649 1.00 0.32 C ATOM 1258 CE LYS A 90 3.678 -10.518 3.137 1.00 0.34 C ATOM 1259 NZ LYS A 90 2.796 -11.668 3.476 1.00 0.44 N ATOM 0 H LYS A 90 5.631 -6.629 3.636 1.00 0.35 H new ATOM 0 HA LYS A 90 5.765 -6.858 0.693 1.00 0.28 H new ATOM 0 HB2 LYS A 90 4.135 -8.063 2.923 1.00 0.30 H new ATOM 0 HB3 LYS A 90 3.347 -7.801 1.379 1.00 0.30 H new ATOM 0 HG2 LYS A 90 5.046 -9.203 0.258 1.00 0.33 H new ATOM 0 HG3 LYS A 90 5.872 -9.442 1.785 1.00 0.33 H new ATOM 0 HD2 LYS A 90 3.045 -10.335 1.093 1.00 0.32 H new ATOM 0 HD3 LYS A 90 4.442 -11.369 1.319 1.00 0.32 H new ATOM 0 HE2 LYS A 90 4.614 -10.605 3.689 1.00 0.34 H new ATOM 0 HE3 LYS A 90 3.203 -9.591 3.459 1.00 0.34 H new ATOM 0 HZ1 LYS A 90 2.620 -11.680 4.501 1.00 0.44 H new ATOM 0 HZ2 LYS A 90 1.892 -11.573 2.971 1.00 0.44 H new ATOM 0 HZ3 LYS A 90 3.259 -12.556 3.194 1.00 0.44 H new ATOM 1273 N LEU A 91 3.980 -5.167 0.266 1.00 0.20 N ATOM 1274 CA LEU A 91 3.061 -4.079 0.013 1.00 0.17 C ATOM 1275 C LEU A 91 1.671 -4.675 -0.046 1.00 0.14 C ATOM 1276 O LEU A 91 1.265 -5.264 -1.044 1.00 0.17 O ATOM 1277 CB LEU A 91 3.438 -3.354 -1.295 1.00 0.26 C ATOM 1278 CG LEU A 91 2.587 -2.140 -1.760 1.00 0.18 C ATOM 1279 CD1 LEU A 91 1.277 -1.962 -1.002 1.00 0.19 C ATOM 1280 CD2 LEU A 91 3.389 -0.867 -1.672 1.00 0.16 C ATOM 0 H LEU A 91 4.336 -5.623 -0.574 1.00 0.20 H new ATOM 0 HA LEU A 91 3.104 -3.329 0.803 1.00 0.17 H new ATOM 0 HB2 LEU A 91 4.469 -3.014 -1.196 1.00 0.26 H new ATOM 0 HB3 LEU A 91 3.421 -4.093 -2.096 1.00 0.26 H new ATOM 0 HG LEU A 91 2.321 -2.358 -2.794 1.00 0.18 H new ATOM 0 HD11 LEU A 91 0.747 -1.092 -1.391 1.00 0.19 H new ATOM 0 HD12 LEU A 91 0.659 -2.851 -1.130 1.00 0.19 H new ATOM 0 HD13 LEU A 91 1.487 -1.815 0.058 1.00 0.19 H new ATOM 0 HD21 LEU A 91 2.777 -0.028 -2.002 1.00 0.16 H new ATOM 0 HD22 LEU A 91 3.702 -0.705 -0.641 1.00 0.16 H new ATOM 0 HD23 LEU A 91 4.269 -0.947 -2.310 1.00 0.16 H new ATOM 1292 N ILE A 92 0.964 -4.503 1.047 1.00 0.14 N ATOM 1293 CA ILE A 92 -0.394 -4.944 1.182 1.00 0.16 C ATOM 1294 C ILE A 92 -1.330 -3.780 0.942 1.00 0.17 C ATOM 1295 O ILE A 92 -1.034 -2.638 1.296 1.00 0.17 O ATOM 1296 CB ILE A 92 -0.625 -5.519 2.595 1.00 0.19 C ATOM 1297 CG1 ILE A 92 -0.065 -6.931 2.706 1.00 0.21 C ATOM 1298 CG2 ILE A 92 -2.094 -5.502 2.992 1.00 0.23 C ATOM 1299 CD1 ILE A 92 1.427 -6.978 2.840 1.00 0.22 C ATOM 0 H ILE A 92 1.330 -4.043 1.881 1.00 0.14 H new ATOM 0 HA ILE A 92 -0.592 -5.724 0.447 1.00 0.16 H new ATOM 0 HB ILE A 92 -0.091 -4.871 3.289 1.00 0.19 H new ATOM 0 HG12 ILE A 92 -0.514 -7.424 3.568 1.00 0.21 H new ATOM 0 HG13 ILE A 92 -0.360 -7.500 1.824 1.00 0.21 H new ATOM 0 HG21 ILE A 92 -2.205 -5.916 3.994 1.00 0.23 H new ATOM 0 HG22 ILE A 92 -2.462 -4.476 2.981 1.00 0.23 H new ATOM 0 HG23 ILE A 92 -2.669 -6.101 2.286 1.00 0.23 H new ATOM 0 HD11 ILE A 92 1.753 -8.015 2.914 1.00 0.22 H new ATOM 0 HD12 ILE A 92 1.886 -6.515 1.966 1.00 0.22 H new ATOM 0 HD13 ILE A 92 1.729 -6.438 3.737 1.00 0.22 H new ATOM 1311 N SER A 93 -2.437 -4.058 0.309 1.00 0.20 N ATOM 1312 CA SER A 93 -3.458 -3.066 0.150 1.00 0.26 C ATOM 1313 C SER A 93 -4.677 -3.509 0.932 1.00 0.37 C ATOM 1314 O SER A 93 -5.367 -4.420 0.509 1.00 0.61 O ATOM 1315 CB SER A 93 -3.775 -2.906 -1.325 1.00 0.40 C ATOM 1316 OG SER A 93 -2.577 -2.842 -2.088 1.00 1.41 O ATOM 0 H SER A 93 -2.653 -4.965 -0.105 1.00 0.20 H new ATOM 0 HA SER A 93 -3.127 -2.099 0.529 1.00 0.26 H new ATOM 0 HB2 SER A 93 -4.385 -3.743 -1.665 1.00 0.40 H new ATOM 0 HB3 SER A 93 -4.361 -2.000 -1.481 1.00 0.40 H new ATOM 0 HG SER A 93 -2.205 -3.743 -2.189 1.00 1.41 H new ATOM 1322 N THR A 94 -4.933 -2.862 2.062 1.00 0.34 N ATOM 1323 CA THR A 94 -5.924 -3.346 3.003 1.00 0.38 C ATOM 1324 C THR A 94 -7.246 -2.632 2.828 1.00 0.42 C ATOM 1325 O THR A 94 -7.372 -1.448 3.130 1.00 0.49 O ATOM 1326 CB THR A 94 -5.456 -3.160 4.456 1.00 0.39 C ATOM 1327 OG1 THR A 94 -4.268 -3.927 4.693 1.00 0.45 O ATOM 1328 CG2 THR A 94 -6.545 -3.590 5.425 1.00 0.48 C ATOM 0 H THR A 94 -4.466 -2.001 2.345 1.00 0.34 H new ATOM 0 HA THR A 94 -6.055 -4.408 2.797 1.00 0.38 H new ATOM 0 HB THR A 94 -5.240 -2.104 4.616 1.00 0.39 H new ATOM 0 HG1 THR A 94 -4.067 -3.930 5.652 1.00 0.45 H new ATOM 0 HG21 THR A 94 -6.197 -3.452 6.449 1.00 0.48 H new ATOM 0 HG22 THR A 94 -7.437 -2.986 5.261 1.00 0.48 H new ATOM 0 HG23 THR A 94 -6.783 -4.641 5.262 1.00 0.48 H new ATOM 1336 N PHE A 95 -8.232 -3.360 2.365 1.00 0.43 N ATOM 1337 CA PHE A 95 -9.547 -2.800 2.177 1.00 0.50 C ATOM 1338 C PHE A 95 -10.469 -3.257 3.263 1.00 0.53 C ATOM 1339 O PHE A 95 -10.954 -4.379 3.204 1.00 0.55 O ATOM 1340 CB PHE A 95 -10.148 -3.264 0.878 1.00 0.55 C ATOM 1341 CG PHE A 95 -11.300 -2.410 0.443 1.00 0.77 C ATOM 1342 CD1 PHE A 95 -12.598 -2.756 0.783 1.00 0.94 C ATOM 1343 CD2 PHE A 95 -11.086 -1.249 -0.277 1.00 0.90 C ATOM 1344 CE1 PHE A 95 -13.660 -1.961 0.412 1.00 1.16 C ATOM 1345 CE2 PHE A 95 -12.144 -0.452 -0.656 1.00 1.13 C ATOM 1346 CZ PHE A 95 -13.433 -0.807 -0.310 1.00 1.23 C ATOM 0 H PHE A 95 -8.148 -4.344 2.111 1.00 0.43 H new ATOM 0 HA PHE A 95 -9.435 -1.716 2.185 1.00 0.50 H new ATOM 0 HB2 PHE A 95 -9.381 -3.257 0.103 1.00 0.55 H new ATOM 0 HB3 PHE A 95 -10.484 -4.295 0.984 1.00 0.55 H new ATOM 0 HD1 PHE A 95 -12.779 -3.660 1.346 1.00 0.94 H new ATOM 0 HD2 PHE A 95 -10.079 -0.964 -0.545 1.00 0.90 H new ATOM 0 HE1 PHE A 95 -14.667 -2.240 0.685 1.00 1.16 H new ATOM 0 HE2 PHE A 95 -11.965 0.450 -1.223 1.00 1.13 H new ATOM 0 HZ PHE A 95 -14.263 -0.182 -0.604 1.00 1.23 H new ATOM 1356 N THR A 96 -10.746 -2.412 4.223 1.00 0.60 N ATOM 1357 CA THR A 96 -11.701 -2.768 5.235 1.00 0.69 C ATOM 1358 C THR A 96 -13.117 -2.509 4.716 1.00 0.86 C ATOM 1359 O THR A 96 -13.555 -1.358 4.632 1.00 1.02 O ATOM 1360 CB THR A 96 -11.472 -1.988 6.528 1.00 0.79 C ATOM 1361 OG1 THR A 96 -10.085 -1.640 6.661 1.00 1.39 O ATOM 1362 CG2 THR A 96 -11.889 -2.839 7.700 1.00 0.74 C ATOM 0 H THR A 96 -10.330 -1.486 4.323 1.00 0.60 H new ATOM 0 HA THR A 96 -11.575 -3.827 5.460 1.00 0.69 H new ATOM 0 HB THR A 96 -12.064 -1.073 6.502 1.00 0.79 H new ATOM 0 HG1 THR A 96 -9.985 -0.667 6.607 1.00 1.39 H new ATOM 0 HG21 THR A 96 -11.728 -2.287 8.626 1.00 0.74 H new ATOM 0 HG22 THR A 96 -12.945 -3.093 7.608 1.00 0.74 H new ATOM 0 HG23 THR A 96 -11.296 -3.754 7.715 1.00 0.74 H new ATOM 1440 N ALA A 103 -10.571 -7.812 5.444 1.00 0.76 N ATOM 1441 CA ALA A 103 -10.157 -6.801 4.492 1.00 0.61 C ATOM 1442 C ALA A 103 -9.536 -7.424 3.271 1.00 0.58 C ATOM 1443 O ALA A 103 -8.876 -8.466 3.327 1.00 0.64 O ATOM 1444 CB ALA A 103 -9.190 -5.812 5.118 1.00 0.52 C ATOM 0 HA ALA A 103 -11.054 -6.261 4.189 1.00 0.61 H new ATOM 0 HB1 ALA A 103 -8.900 -5.068 4.376 1.00 0.52 H new ATOM 0 HB2 ALA A 103 -9.672 -5.316 5.961 1.00 0.52 H new ATOM 0 HB3 ALA A 103 -8.303 -6.341 5.467 1.00 0.52 H new ATOM 1450 N THR A 104 -9.753 -6.745 2.180 1.00 0.53 N ATOM 1451 CA THR A 104 -9.273 -7.152 0.887 1.00 0.50 C ATOM 1452 C THR A 104 -7.825 -6.736 0.739 1.00 0.43 C ATOM 1453 O THR A 104 -7.430 -5.717 1.294 1.00 0.51 O ATOM 1454 CB THR A 104 -10.145 -6.518 -0.202 1.00 0.53 C ATOM 1455 OG1 THR A 104 -10.977 -7.513 -0.808 1.00 0.64 O ATOM 1456 CG2 THR A 104 -9.300 -5.810 -1.247 1.00 0.56 C ATOM 0 H THR A 104 -10.281 -5.872 2.163 1.00 0.53 H new ATOM 0 HA THR A 104 -9.333 -8.236 0.786 1.00 0.50 H new ATOM 0 HB THR A 104 -10.781 -5.767 0.266 1.00 0.53 H new ATOM 0 HG1 THR A 104 -11.869 -7.140 -0.969 1.00 0.64 H new ATOM 0 HG21 THR A 104 -9.950 -5.372 -2.004 1.00 0.56 H new ATOM 0 HG22 THR A 104 -8.716 -5.023 -0.770 1.00 0.56 H new ATOM 0 HG23 THR A 104 -8.627 -6.527 -1.717 1.00 0.56 H new ATOM 1464 N VAL A 105 -7.029 -7.539 0.045 1.00 0.34 N ATOM 1465 CA VAL A 105 -5.615 -7.254 -0.087 1.00 0.28 C ATOM 1466 C VAL A 105 -5.102 -7.393 -1.519 1.00 0.25 C ATOM 1467 O VAL A 105 -5.445 -8.334 -2.237 1.00 0.38 O ATOM 1468 CB VAL A 105 -4.793 -8.165 0.840 1.00 0.29 C ATOM 1469 CG1 VAL A 105 -3.305 -7.960 0.626 1.00 0.25 C ATOM 1470 CG2 VAL A 105 -5.154 -7.911 2.295 1.00 0.35 C ATOM 0 H VAL A 105 -7.340 -8.386 -0.431 1.00 0.34 H new ATOM 0 HA VAL A 105 -5.490 -6.210 0.202 1.00 0.28 H new ATOM 0 HB VAL A 105 -5.034 -9.199 0.594 1.00 0.29 H new ATOM 0 HG11 VAL A 105 -2.747 -8.616 1.294 1.00 0.25 H new ATOM 0 HG12 VAL A 105 -3.051 -8.194 -0.408 1.00 0.25 H new ATOM 0 HG13 VAL A 105 -3.046 -6.922 0.838 1.00 0.25 H new ATOM 0 HG21 VAL A 105 -4.562 -8.565 2.936 1.00 0.35 H new ATOM 0 HG22 VAL A 105 -4.945 -6.871 2.546 1.00 0.35 H new ATOM 0 HG23 VAL A 105 -6.214 -8.115 2.448 1.00 0.35 H new ATOM 1480 N LEU A 106 -4.292 -6.420 -1.916 1.00 0.20 N ATOM 1481 CA LEU A 106 -3.458 -6.514 -3.109 1.00 0.17 C ATOM 1482 C LEU A 106 -1.998 -6.451 -2.679 1.00 0.15 C ATOM 1483 O LEU A 106 -1.535 -5.410 -2.205 1.00 0.18 O ATOM 1484 CB LEU A 106 -3.756 -5.379 -4.096 1.00 0.19 C ATOM 1485 CG LEU A 106 -4.908 -5.618 -5.076 1.00 0.15 C ATOM 1486 CD1 LEU A 106 -4.675 -6.891 -5.875 1.00 0.28 C ATOM 1487 CD2 LEU A 106 -6.250 -5.683 -4.349 1.00 0.26 C ATOM 0 H LEU A 106 -4.194 -5.536 -1.416 1.00 0.20 H new ATOM 0 HA LEU A 106 -3.672 -7.455 -3.617 1.00 0.17 H new ATOM 0 HB2 LEU A 106 -3.974 -4.477 -3.524 1.00 0.19 H new ATOM 0 HB3 LEU A 106 -2.852 -5.180 -4.672 1.00 0.19 H new ATOM 0 HG LEU A 106 -4.940 -4.774 -5.765 1.00 0.15 H new ATOM 0 HD11 LEU A 106 -5.504 -7.044 -6.566 1.00 0.28 H new ATOM 0 HD12 LEU A 106 -3.746 -6.803 -6.438 1.00 0.28 H new ATOM 0 HD13 LEU A 106 -4.608 -7.740 -5.195 1.00 0.28 H new ATOM 0 HD21 LEU A 106 -7.048 -5.854 -5.072 1.00 0.26 H new ATOM 0 HD22 LEU A 106 -6.234 -6.500 -3.627 1.00 0.26 H new ATOM 0 HD23 LEU A 106 -6.428 -4.742 -3.828 1.00 0.26 H new ATOM 1499 N THR A 107 -1.278 -7.556 -2.827 1.00 0.15 N ATOM 1500 CA THR A 107 0.062 -7.667 -2.260 1.00 0.12 C ATOM 1501 C THR A 107 1.163 -7.605 -3.316 1.00 0.12 C ATOM 1502 O THR A 107 1.002 -8.058 -4.446 1.00 0.19 O ATOM 1503 CB THR A 107 0.233 -8.977 -1.469 1.00 0.17 C ATOM 1504 OG1 THR A 107 -0.901 -9.192 -0.627 1.00 0.21 O ATOM 1505 CG2 THR A 107 1.494 -8.943 -0.611 1.00 0.24 C ATOM 0 H THR A 107 -1.596 -8.384 -3.331 1.00 0.15 H new ATOM 0 HA THR A 107 0.163 -6.808 -1.597 1.00 0.12 H new ATOM 0 HB THR A 107 0.321 -9.791 -2.188 1.00 0.17 H new ATOM 0 HG1 THR A 107 -0.785 -10.028 -0.129 1.00 0.21 H new ATOM 0 HG21 THR A 107 1.588 -9.881 -0.064 1.00 0.24 H new ATOM 0 HG22 THR A 107 2.366 -8.807 -1.251 1.00 0.24 H new ATOM 0 HG23 THR A 107 1.431 -8.116 0.096 1.00 0.24 H new ATOM 1513 N TYR A 108 2.274 -7.021 -2.910 1.00 0.13 N ATOM 1514 CA TYR A 108 3.507 -7.012 -3.674 1.00 0.15 C ATOM 1515 C TYR A 108 4.653 -7.325 -2.723 1.00 0.17 C ATOM 1516 O TYR A 108 4.627 -6.899 -1.574 1.00 0.20 O ATOM 1517 CB TYR A 108 3.711 -5.646 -4.338 1.00 0.17 C ATOM 1518 CG TYR A 108 5.160 -5.271 -4.562 1.00 0.17 C ATOM 1519 CD1 TYR A 108 5.804 -4.409 -3.684 1.00 0.16 C ATOM 1520 CD2 TYR A 108 5.878 -5.760 -5.647 1.00 0.19 C ATOM 1521 CE1 TYR A 108 7.118 -4.042 -3.874 1.00 0.17 C ATOM 1522 CE2 TYR A 108 7.199 -5.400 -5.846 1.00 0.21 C ATOM 1523 CZ TYR A 108 7.816 -4.542 -4.957 1.00 0.20 C ATOM 1524 OH TYR A 108 9.130 -4.182 -5.157 1.00 0.23 O ATOM 0 H TYR A 108 2.346 -6.528 -2.020 1.00 0.13 H new ATOM 0 HA TYR A 108 3.467 -7.761 -4.465 1.00 0.15 H new ATOM 0 HB2 TYR A 108 3.194 -5.641 -5.298 1.00 0.17 H new ATOM 0 HB3 TYR A 108 3.242 -4.881 -3.719 1.00 0.17 H new ATOM 0 HD1 TYR A 108 5.263 -4.018 -2.835 1.00 0.16 H new ATOM 0 HD2 TYR A 108 5.398 -6.430 -6.345 1.00 0.19 H new ATOM 0 HE1 TYR A 108 7.600 -3.368 -3.181 1.00 0.17 H new ATOM 0 HE2 TYR A 108 7.745 -5.788 -6.693 1.00 0.21 H new ATOM 0 HH TYR A 108 9.471 -4.623 -5.963 1.00 0.23 H new ATOM 1534 N ASP A 109 5.645 -8.061 -3.176 1.00 0.17 N ATOM 1535 CA ASP A 109 6.735 -8.448 -2.297 1.00 0.19 C ATOM 1536 C ASP A 109 8.022 -7.733 -2.685 1.00 0.23 C ATOM 1537 O ASP A 109 8.530 -7.908 -3.792 1.00 0.29 O ATOM 1538 CB ASP A 109 6.945 -9.957 -2.348 1.00 0.23 C ATOM 1539 CG ASP A 109 7.502 -10.495 -1.049 1.00 1.27 C ATOM 1540 OD1 ASP A 109 8.310 -9.793 -0.407 1.00 1.94 O ATOM 1541 OD2 ASP A 109 7.140 -11.629 -0.671 1.00 1.85 O ATOM 0 H ASP A 109 5.723 -8.401 -4.134 1.00 0.17 H new ATOM 0 HA ASP A 109 6.470 -8.159 -1.280 1.00 0.19 H new ATOM 0 HB2 ASP A 109 5.997 -10.448 -2.567 1.00 0.23 H new ATOM 0 HB3 ASP A 109 7.626 -10.201 -3.163 1.00 0.23 H new ATOM 1546 N TRP A 110 8.540 -6.918 -1.779 1.00 0.24 N ATOM 1547 CA TRP A 110 9.783 -6.203 -2.026 1.00 0.30 C ATOM 1548 C TRP A 110 10.983 -7.110 -1.768 1.00 0.43 C ATOM 1549 O TRP A 110 11.948 -7.114 -2.532 1.00 0.52 O ATOM 1550 CB TRP A 110 9.856 -4.934 -1.159 1.00 0.26 C ATOM 1551 CG TRP A 110 11.251 -4.427 -0.922 1.00 0.30 C ATOM 1552 CD1 TRP A 110 11.969 -3.611 -1.737 1.00 0.74 C ATOM 1553 CD2 TRP A 110 12.091 -4.699 0.211 1.00 1.13 C ATOM 1554 NE1 TRP A 110 13.198 -3.348 -1.180 1.00 0.47 N ATOM 1555 CE2 TRP A 110 13.297 -4.008 0.016 1.00 0.80 C ATOM 1556 CE3 TRP A 110 11.937 -5.457 1.368 1.00 2.22 C ATOM 1557 CZ2 TRP A 110 14.340 -4.051 0.939 1.00 1.48 C ATOM 1558 CZ3 TRP A 110 12.970 -5.502 2.286 1.00 2.91 C ATOM 1559 CH2 TRP A 110 14.158 -4.801 2.070 1.00 2.54 C ATOM 0 H TRP A 110 8.120 -6.735 -0.868 1.00 0.24 H new ATOM 0 HA TRP A 110 9.807 -5.900 -3.073 1.00 0.30 H new ATOM 0 HB2 TRP A 110 9.272 -4.147 -1.637 1.00 0.26 H new ATOM 0 HB3 TRP A 110 9.388 -5.138 -0.196 1.00 0.26 H new ATOM 0 HD1 TRP A 110 11.624 -3.225 -2.685 1.00 0.74 H new ATOM 0 HE1 TRP A 110 13.920 -2.756 -1.591 1.00 0.47 H new ATOM 0 HE3 TRP A 110 11.022 -6.003 1.547 1.00 2.22 H new ATOM 0 HZ2 TRP A 110 15.260 -3.512 0.768 1.00 1.48 H new ATOM 0 HZ3 TRP A 110 12.856 -6.089 3.185 1.00 2.91 H new ATOM 0 HH2 TRP A 110 14.946 -4.851 2.807 1.00 2.54 H new ATOM 1570 N SER A 111 10.906 -7.881 -0.699 1.00 0.53 N ATOM 1571 CA SER A 111 12.005 -8.753 -0.306 1.00 0.69 C ATOM 1572 C SER A 111 11.895 -10.104 -0.992 1.00 0.68 C ATOM 1573 O SER A 111 12.917 -10.736 -1.270 1.00 0.85 O ATOM 1574 CB SER A 111 12.019 -8.924 1.214 1.00 0.82 C ATOM 1575 OG SER A 111 13.187 -9.602 1.656 1.00 1.56 O ATOM 0 H SER A 111 10.093 -7.923 -0.084 1.00 0.53 H new ATOM 0 HA SER A 111 12.942 -8.292 -0.618 1.00 0.69 H new ATOM 0 HB2 SER A 111 11.964 -7.945 1.691 1.00 0.82 H new ATOM 0 HB3 SER A 111 11.135 -9.481 1.526 1.00 0.82 H new ATOM 0 HG SER A 111 13.163 -9.692 2.632 1.00 1.56 H new