USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 608 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 31 GLN :FLIP amide:sc= -0.601 F(o=-1.4,f=-0.51) USER MOD Set 1.2: A 38 THR OG1 : rot -22:sc= 0.0917 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0.0721 USER MOD Set 2.2: A 24 GLN : amide:sc= 0.0739 X(o=0.15,f=0.26) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.11 K(o=-0.11,f=-0.89) USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 33 LYS NZ :NH3+ -170:sc= 0.298 (180deg=0.264) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 37 GLN : amide:sc= -1.38 K(o=-1.4,f=-2.7!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -103:sc= 0.548 USER MOD Single : A 47 SER OG : rot 180:sc= -1.06 USER MOD Single : A 50 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00977) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl -138:sc= -1.1 (180deg=-3.2!) USER MOD Single : A 54 SER OG : rot 69:sc= 0.328 USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl 168:sc= -0.407 (180deg=-0.593) USER MOD Single : A 63 SER OG : rot 47:sc= 0.0966 USER MOD Single : A 66 LYS NZ :NH3+ -111:sc= 0.7 (180deg=-0.343) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -174:sc=-0.00229 (180deg=-0.0466) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl 169:sc= -2.57! (180deg=-2.9!) USER MOD Single : A 89 SER OG : rot 180:sc=-0.00851 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 20 -7.318 -3.589 13.337 1.00 0.00 N ATOM 2 CA THR A 20 -7.640 -2.189 13.649 1.00 0.00 C ATOM 3 C THR A 20 -9.154 -2.028 13.856 1.00 0.00 C ATOM 4 O THR A 20 -9.963 -2.640 13.148 1.00 0.00 O ATOM 5 CB THR A 20 -7.108 -1.223 12.538 1.00 0.00 C ATOM 6 OG1 THR A 20 -7.494 0.131 12.824 1.00 0.00 O ATOM 7 CG2 THR A 20 -7.596 -1.609 11.133 1.00 0.00 C ATOM 0 HA THR A 20 -7.137 -1.917 14.577 1.00 0.00 H new ATOM 0 HB THR A 20 -6.021 -1.310 12.545 1.00 0.00 H new ATOM 0 HG1 THR A 20 -7.153 0.724 12.122 1.00 0.00 H new ATOM 0 HG21 THR A 20 -7.197 -0.905 10.403 1.00 0.00 H new ATOM 0 HG22 THR A 20 -7.253 -2.615 10.892 1.00 0.00 H new ATOM 0 HG23 THR A 20 -8.685 -1.581 11.106 1.00 0.00 H new ATOM 15 N GLU A 21 -9.512 -1.218 14.861 1.00 0.00 N ATOM 16 CA GLU A 21 -10.909 -0.935 15.235 1.00 0.00 C ATOM 17 C GLU A 21 -11.344 0.422 14.659 1.00 0.00 C ATOM 18 O GLU A 21 -12.450 0.565 14.122 1.00 0.00 O ATOM 19 CB GLU A 21 -11.041 -0.930 16.779 1.00 0.00 C ATOM 20 CG GLU A 21 -12.439 -0.544 17.312 1.00 0.00 C ATOM 21 CD GLU A 21 -12.532 -0.603 18.845 1.00 0.00 C ATOM 22 OE1 GLU A 21 -12.596 -1.723 19.404 1.00 0.00 O ATOM 23 OE2 GLU A 21 -12.516 0.462 19.497 1.00 0.00 O ATOM 0 H GLU A 21 -8.832 -0.733 15.447 1.00 0.00 H new ATOM 0 HA GLU A 21 -11.556 -1.710 14.824 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.786 -1.921 17.154 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.308 -0.236 17.189 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -12.685 0.464 16.977 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -13.184 -1.214 16.882 1.00 0.00 H new ATOM 30 N THR A 22 -10.455 1.415 14.801 1.00 0.00 N ATOM 31 CA THR A 22 -10.667 2.784 14.313 1.00 0.00 C ATOM 32 C THR A 22 -9.873 2.958 13.004 1.00 0.00 C ATOM 33 O THR A 22 -8.662 2.716 12.994 1.00 0.00 O ATOM 34 CB THR A 22 -10.217 3.837 15.389 1.00 0.00 C ATOM 35 OG1 THR A 22 -8.803 3.729 15.647 1.00 0.00 O ATOM 36 CG2 THR A 22 -10.986 3.663 16.717 1.00 0.00 C ATOM 0 H THR A 22 -9.556 1.287 15.265 1.00 0.00 H new ATOM 0 HA THR A 22 -11.728 2.951 14.125 1.00 0.00 H new ATOM 0 HB THR A 22 -10.443 4.823 14.982 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.541 4.394 16.318 1.00 0.00 H new ATOM 0 HG21 THR A 22 -10.646 4.410 17.435 1.00 0.00 H new ATOM 0 HG22 THR A 22 -12.054 3.791 16.539 1.00 0.00 H new ATOM 0 HG23 THR A 22 -10.802 2.666 17.116 1.00 0.00 H new ATOM 44 N SER A 23 -10.565 3.299 11.896 1.00 0.00 N ATOM 45 CA SER A 23 -9.944 3.430 10.562 1.00 0.00 C ATOM 46 C SER A 23 -9.078 4.720 10.435 1.00 0.00 C ATOM 47 O SER A 23 -9.445 5.699 9.770 1.00 0.00 O ATOM 48 CB SER A 23 -11.044 3.371 9.483 1.00 0.00 C ATOM 49 OG SER A 23 -11.799 2.165 9.577 1.00 0.00 O ATOM 0 H SER A 23 -11.567 3.491 11.902 1.00 0.00 H new ATOM 0 HA SER A 23 -9.256 2.597 10.417 1.00 0.00 H new ATOM 0 HB2 SER A 23 -11.709 4.228 9.591 1.00 0.00 H new ATOM 0 HB3 SER A 23 -10.591 3.442 8.494 1.00 0.00 H new ATOM 0 HG SER A 23 -12.490 2.156 8.882 1.00 0.00 H new ATOM 55 N GLN A 24 -7.943 4.701 11.148 1.00 0.00 N ATOM 56 CA GLN A 24 -6.856 5.682 11.029 1.00 0.00 C ATOM 57 C GLN A 24 -5.997 5.306 9.812 1.00 0.00 C ATOM 58 O GLN A 24 -5.491 6.159 9.081 1.00 0.00 O ATOM 59 CB GLN A 24 -6.039 5.725 12.353 1.00 0.00 C ATOM 60 CG GLN A 24 -5.421 4.377 12.790 1.00 0.00 C ATOM 61 CD GLN A 24 -4.873 4.396 14.218 1.00 0.00 C ATOM 62 OE1 GLN A 24 -3.717 4.738 14.452 1.00 0.00 O ATOM 63 NE2 GLN A 24 -5.702 4.015 15.183 1.00 0.00 N ATOM 0 H GLN A 24 -7.751 3.981 11.844 1.00 0.00 H new ATOM 0 HA GLN A 24 -7.247 6.687 10.870 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -5.237 6.455 12.243 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -6.689 6.084 13.151 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -6.177 3.596 12.709 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -4.616 4.115 12.103 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -6.656 3.737 14.955 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -5.384 4.001 16.152 1.00 0.00 H new ATOM 72 N GLN A 25 -5.822 3.994 9.648 1.00 0.00 N ATOM 73 CA GLN A 25 -5.208 3.377 8.473 1.00 0.00 C ATOM 74 C GLN A 25 -6.269 2.546 7.731 1.00 0.00 C ATOM 75 O GLN A 25 -7.243 2.080 8.332 1.00 0.00 O ATOM 76 CB GLN A 25 -4.002 2.501 8.899 1.00 0.00 C ATOM 77 CG GLN A 25 -4.348 1.438 9.960 1.00 0.00 C ATOM 78 CD GLN A 25 -3.131 0.660 10.457 1.00 0.00 C ATOM 79 OE1 GLN A 25 -2.777 -0.376 9.900 1.00 0.00 O ATOM 80 NE2 GLN A 25 -2.475 1.161 11.501 1.00 0.00 N ATOM 0 H GLN A 25 -6.112 3.313 10.349 1.00 0.00 H new ATOM 0 HA GLN A 25 -4.834 4.148 7.800 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.598 2.003 8.018 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -3.215 3.147 9.289 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -4.830 1.925 10.808 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -5.071 0.738 9.541 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -2.797 2.024 11.939 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -1.650 0.682 11.863 1.00 0.00 H new ATOM 89 N LEU A 26 -6.083 2.427 6.419 1.00 0.00 N ATOM 90 CA LEU A 26 -6.926 1.643 5.506 1.00 0.00 C ATOM 91 C LEU A 26 -6.107 0.468 4.932 1.00 0.00 C ATOM 92 O LEU A 26 -5.003 0.666 4.420 1.00 0.00 O ATOM 93 CB LEU A 26 -7.432 2.571 4.364 1.00 0.00 C ATOM 94 CG LEU A 26 -8.145 3.882 4.828 1.00 0.00 C ATOM 95 CD1 LEU A 26 -8.487 4.794 3.630 1.00 0.00 C ATOM 96 CD2 LEU A 26 -9.397 3.565 5.680 1.00 0.00 C ATOM 0 H LEU A 26 -5.312 2.891 5.939 1.00 0.00 H new ATOM 0 HA LEU A 26 -7.785 1.237 6.040 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.583 2.842 3.737 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -8.122 2.005 3.738 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.448 4.431 5.461 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.982 5.696 3.989 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -7.570 5.067 3.107 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -9.151 4.264 2.947 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.872 4.496 5.989 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.100 2.977 5.089 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -9.102 2.998 6.563 1.00 0.00 H new ATOM 108 N GLN A 27 -6.666 -0.744 5.028 1.00 0.00 N ATOM 109 CA GLN A 27 -6.023 -1.982 4.550 1.00 0.00 C ATOM 110 C GLN A 27 -6.495 -2.252 3.112 1.00 0.00 C ATOM 111 O GLN A 27 -7.640 -2.662 2.887 1.00 0.00 O ATOM 112 CB GLN A 27 -6.371 -3.154 5.503 1.00 0.00 C ATOM 113 CG GLN A 27 -5.881 -2.942 6.953 1.00 0.00 C ATOM 114 CD GLN A 27 -6.386 -3.987 7.950 1.00 0.00 C ATOM 115 OE1 GLN A 27 -7.459 -4.576 7.779 1.00 0.00 O ATOM 116 NE2 GLN A 27 -5.632 -4.193 9.017 1.00 0.00 N ATOM 0 H GLN A 27 -7.585 -0.899 5.443 1.00 0.00 H new ATOM 0 HA GLN A 27 -4.938 -1.879 4.546 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -7.452 -3.295 5.511 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -5.932 -4.072 5.111 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -4.791 -2.948 6.960 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -6.196 -1.954 7.289 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -4.752 -3.689 9.125 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -5.931 -4.856 9.732 1.00 0.00 H new ATOM 125 N LEU A 28 -5.601 -1.992 2.145 1.00 0.00 N ATOM 126 CA LEU A 28 -5.927 -1.980 0.709 1.00 0.00 C ATOM 127 C LEU A 28 -5.228 -3.163 0.003 1.00 0.00 C ATOM 128 O LEU A 28 -4.043 -3.430 0.247 1.00 0.00 O ATOM 129 CB LEU A 28 -5.478 -0.622 0.097 1.00 0.00 C ATOM 130 CG LEU A 28 -5.934 0.664 0.874 1.00 0.00 C ATOM 131 CD1 LEU A 28 -5.262 1.940 0.321 1.00 0.00 C ATOM 132 CD2 LEU A 28 -7.471 0.802 0.865 1.00 0.00 C ATOM 0 H LEU A 28 -4.622 -1.782 2.339 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.002 -2.091 0.570 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.390 -0.617 0.032 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.859 -0.561 -0.923 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.608 0.548 1.908 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.605 2.806 0.887 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.180 1.851 0.415 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.526 2.065 -0.729 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.759 1.701 1.410 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.824 0.873 -0.164 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.917 -0.070 1.342 1.00 0.00 H new ATOM 144 N ARG A 29 -5.974 -3.859 -0.872 1.00 0.00 N ATOM 145 CA ARG A 29 -5.490 -5.044 -1.602 1.00 0.00 C ATOM 146 C ARG A 29 -4.976 -4.642 -2.986 1.00 0.00 C ATOM 147 O ARG A 29 -5.742 -4.227 -3.845 1.00 0.00 O ATOM 148 CB ARG A 29 -6.604 -6.125 -1.706 1.00 0.00 C ATOM 149 CG ARG A 29 -6.860 -6.864 -0.377 1.00 0.00 C ATOM 150 CD ARG A 29 -7.856 -8.025 -0.504 1.00 0.00 C ATOM 151 NE ARG A 29 -7.715 -8.978 0.620 1.00 0.00 N ATOM 152 CZ ARG A 29 -8.594 -9.932 0.954 1.00 0.00 C ATOM 153 NH1 ARG A 29 -9.797 -9.986 0.388 1.00 0.00 N ATOM 154 NH2 ARG A 29 -8.270 -10.807 1.893 1.00 0.00 N ATOM 0 H ARG A 29 -6.939 -3.613 -1.095 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.661 -5.480 -1.045 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.529 -5.653 -2.036 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.326 -6.851 -2.470 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.914 -7.248 0.004 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -7.235 -6.153 0.359 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -8.873 -7.634 -0.527 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.693 -8.545 -1.448 1.00 0.00 H new ATOM 0 HE ARG A 29 -6.873 -8.901 1.191 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -10.063 -9.294 -0.313 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -10.454 -10.720 0.655 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -7.361 -10.749 2.352 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -8.929 -11.539 2.158 1.00 0.00 H new ATOM 168 N VAL A 30 -3.659 -4.766 -3.169 1.00 0.00 N ATOM 169 CA VAL A 30 -2.961 -4.372 -4.398 1.00 0.00 C ATOM 170 C VAL A 30 -2.665 -5.616 -5.253 1.00 0.00 C ATOM 171 O VAL A 30 -2.100 -6.588 -4.752 1.00 0.00 O ATOM 172 CB VAL A 30 -1.614 -3.620 -4.082 1.00 0.00 C ATOM 173 CG1 VAL A 30 -1.171 -2.765 -5.273 1.00 0.00 C ATOM 174 CG2 VAL A 30 -1.724 -2.775 -2.793 1.00 0.00 C ATOM 0 H VAL A 30 -3.037 -5.149 -2.457 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.611 -3.690 -4.946 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.847 -4.375 -3.909 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.238 -2.256 -5.029 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.019 -3.404 -6.143 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.940 -2.025 -5.496 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.776 -2.271 -2.607 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.513 -2.032 -2.911 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.961 -3.425 -1.951 1.00 0.00 H new ATOM 184 N GLN A 31 -3.016 -5.566 -6.541 1.00 0.00 N ATOM 185 CA GLN A 31 -2.814 -6.677 -7.489 1.00 0.00 C ATOM 186 C GLN A 31 -2.149 -6.135 -8.753 1.00 0.00 C ATOM 187 O GLN A 31 -2.426 -5.006 -9.147 1.00 0.00 O ATOM 188 CB GLN A 31 -4.161 -7.344 -7.868 1.00 0.00 C ATOM 189 CG GLN A 31 -4.930 -7.987 -6.702 1.00 0.00 C ATOM 190 CD GLN A 31 -6.251 -8.648 -7.118 1.00 0.00 C ATOM 191 OE1 GLN A 31 -6.961 -8.063 -8.084 1.00 0.00 O flip ATOM 192 NE2 GLN A 31 -6.660 -9.649 -6.538 1.00 0.00 N flip ATOM 0 H GLN A 31 -3.453 -4.747 -6.964 1.00 0.00 H new ATOM 0 HA GLN A 31 -2.182 -7.428 -7.014 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -4.800 -6.594 -8.333 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -3.969 -8.109 -8.620 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -4.294 -8.735 -6.229 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.137 -7.224 -5.952 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -6.098 -10.078 -5.803 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -7.562 -10.052 -6.791 1.00 0.00 H new ATOM 201 N GLY A 32 -1.298 -6.940 -9.397 1.00 0.00 N ATOM 202 CA GLY A 32 -0.660 -6.536 -10.654 1.00 0.00 C ATOM 203 C GLY A 32 -1.504 -6.847 -11.879 1.00 0.00 C ATOM 204 O GLY A 32 -2.672 -7.246 -11.757 1.00 0.00 O ATOM 0 H GLY A 32 -1.036 -7.870 -9.071 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.456 -5.466 -10.623 1.00 0.00 H new ATOM 0 HA3 GLY A 32 0.302 -7.041 -10.745 1.00 0.00 H new ATOM 208 N LYS A 33 -0.930 -6.550 -13.064 1.00 0.00 N ATOM 209 CA LYS A 33 -1.320 -7.129 -14.382 1.00 0.00 C ATOM 210 C LYS A 33 -1.890 -8.563 -14.258 1.00 0.00 C ATOM 211 O LYS A 33 -2.927 -8.896 -14.842 1.00 0.00 O ATOM 212 CB LYS A 33 -0.059 -7.144 -15.295 1.00 0.00 C ATOM 213 CG LYS A 33 0.663 -5.781 -15.421 1.00 0.00 C ATOM 214 CD LYS A 33 2.076 -5.895 -16.031 1.00 0.00 C ATOM 215 CE LYS A 33 2.077 -6.503 -17.442 1.00 0.00 C ATOM 216 NZ LYS A 33 3.436 -6.518 -18.033 1.00 0.00 N ATOM 0 H LYS A 33 -0.161 -5.884 -13.140 1.00 0.00 H new ATOM 0 HA LYS A 33 -2.112 -6.512 -14.807 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.646 -7.879 -14.906 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -0.351 -7.478 -16.290 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.061 -5.114 -16.038 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.736 -5.323 -14.434 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.530 -4.905 -16.068 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.699 -6.507 -15.378 1.00 0.00 H new ATOM 0 HE2 LYS A 33 1.688 -7.520 -17.400 1.00 0.00 H new ATOM 0 HE3 LYS A 33 1.407 -5.932 -18.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.374 -6.775 -19.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.865 -5.575 -17.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.024 -7.215 -17.533 1.00 0.00 H new ATOM 230 N GLU A 34 -1.180 -9.384 -13.472 1.00 0.00 N ATOM 231 CA GLU A 34 -1.666 -10.692 -13.046 1.00 0.00 C ATOM 232 C GLU A 34 -2.460 -10.495 -11.744 1.00 0.00 C ATOM 233 O GLU A 34 -1.907 -10.058 -10.732 1.00 0.00 O ATOM 234 CB GLU A 34 -0.500 -11.693 -12.859 1.00 0.00 C ATOM 235 CG GLU A 34 -0.928 -13.104 -12.398 1.00 0.00 C ATOM 236 CD GLU A 34 -1.981 -13.762 -13.317 1.00 0.00 C ATOM 237 OE1 GLU A 34 -1.607 -14.319 -14.368 1.00 0.00 O ATOM 238 OE2 GLU A 34 -3.194 -13.705 -12.998 1.00 0.00 O ATOM 0 H GLU A 34 -0.252 -9.154 -13.116 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.312 -11.121 -13.812 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.039 -11.782 -13.802 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.199 -11.284 -12.129 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.047 -13.745 -12.352 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.330 -13.040 -11.387 1.00 0.00 H new ATOM 245 N LYS A 35 -3.772 -10.762 -11.801 1.00 0.00 N ATOM 246 CA LYS A 35 -4.673 -10.617 -10.646 1.00 0.00 C ATOM 247 C LYS A 35 -4.436 -11.718 -9.591 1.00 0.00 C ATOM 248 O LYS A 35 -4.829 -11.555 -8.433 1.00 0.00 O ATOM 249 CB LYS A 35 -6.144 -10.597 -11.122 1.00 0.00 C ATOM 250 CG LYS A 35 -6.598 -11.859 -11.894 1.00 0.00 C ATOM 251 CD LYS A 35 -8.040 -11.724 -12.446 1.00 0.00 C ATOM 252 CE LYS A 35 -9.074 -11.444 -11.340 1.00 0.00 C ATOM 253 NZ LYS A 35 -10.428 -11.202 -11.883 1.00 0.00 N ATOM 0 H LYS A 35 -4.240 -11.085 -12.648 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.452 -9.667 -10.160 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -6.790 -10.469 -10.253 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -6.292 -9.726 -11.760 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -5.911 -12.044 -12.720 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -6.543 -12.725 -11.234 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -8.070 -10.918 -13.179 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -8.312 -12.641 -12.969 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -9.106 -12.290 -10.654 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -8.757 -10.576 -10.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -11.088 -11.018 -11.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -10.405 -10.378 -12.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -10.744 -12.039 -12.413 1.00 0.00 H new ATOM 267 N HIS A 36 -3.807 -12.843 -10.012 1.00 0.00 N ATOM 268 CA HIS A 36 -3.321 -13.894 -9.083 1.00 0.00 C ATOM 269 C HIS A 36 -2.143 -13.362 -8.247 1.00 0.00 C ATOM 270 O HIS A 36 -1.914 -13.829 -7.126 1.00 0.00 O ATOM 271 CB HIS A 36 -2.903 -15.185 -9.842 1.00 0.00 C ATOM 272 CG HIS A 36 -4.052 -16.050 -10.291 1.00 0.00 C ATOM 273 ND1 HIS A 36 -4.405 -17.213 -9.638 1.00 0.00 N ATOM 274 CD2 HIS A 36 -4.928 -15.923 -11.317 1.00 0.00 C ATOM 275 CE1 HIS A 36 -5.432 -17.765 -10.244 1.00 0.00 C ATOM 276 NE2 HIS A 36 -5.775 -17.002 -11.263 1.00 0.00 N ATOM 0 H HIS A 36 -3.624 -13.046 -10.995 1.00 0.00 H new ATOM 0 HA HIS A 36 -4.144 -14.154 -8.418 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -2.315 -14.903 -10.715 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -2.252 -15.775 -9.197 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -4.955 -15.123 -12.042 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -5.914 -18.688 -9.956 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -6.545 -17.184 -11.907 1.00 0.00 H new ATOM 285 N GLN A 37 -1.394 -12.387 -8.814 1.00 0.00 N ATOM 286 CA GLN A 37 -0.348 -11.655 -8.086 1.00 0.00 C ATOM 287 C GLN A 37 -1.040 -10.666 -7.123 1.00 0.00 C ATOM 288 O GLN A 37 -1.319 -9.520 -7.482 1.00 0.00 O ATOM 289 CB GLN A 37 0.610 -10.908 -9.075 1.00 0.00 C ATOM 290 CG GLN A 37 1.929 -10.427 -8.441 1.00 0.00 C ATOM 291 CD GLN A 37 2.866 -11.588 -8.091 1.00 0.00 C ATOM 292 OE1 GLN A 37 2.792 -12.166 -7.005 1.00 0.00 O ATOM 293 NE2 GLN A 37 3.761 -11.933 -9.003 1.00 0.00 N ATOM 0 H GLN A 37 -1.502 -12.092 -9.784 1.00 0.00 H new ATOM 0 HA GLN A 37 0.269 -12.352 -7.520 1.00 0.00 H new ATOM 0 HB2 GLN A 37 0.842 -11.572 -9.908 1.00 0.00 H new ATOM 0 HB3 GLN A 37 0.085 -10.047 -9.490 1.00 0.00 H new ATOM 0 HG2 GLN A 37 2.435 -9.750 -9.130 1.00 0.00 H new ATOM 0 HG3 GLN A 37 1.709 -9.857 -7.539 1.00 0.00 H new ATOM 0 HE21 GLN A 37 3.799 -11.437 -9.893 1.00 0.00 H new ATOM 0 HE22 GLN A 37 4.412 -12.695 -8.815 1.00 0.00 H new ATOM 302 N THR A 38 -1.354 -11.156 -5.914 1.00 0.00 N ATOM 303 CA THR A 38 -2.162 -10.428 -4.925 1.00 0.00 C ATOM 304 C THR A 38 -1.319 -10.117 -3.677 1.00 0.00 C ATOM 305 O THR A 38 -0.556 -10.963 -3.204 1.00 0.00 O ATOM 306 CB THR A 38 -3.425 -11.260 -4.511 1.00 0.00 C ATOM 307 OG1 THR A 38 -4.128 -11.706 -5.686 1.00 0.00 O ATOM 308 CG2 THR A 38 -4.394 -10.455 -3.618 1.00 0.00 C ATOM 0 H THR A 38 -1.052 -12.076 -5.593 1.00 0.00 H new ATOM 0 HA THR A 38 -2.493 -9.495 -5.381 1.00 0.00 H new ATOM 0 HB THR A 38 -3.068 -12.113 -3.934 1.00 0.00 H new ATOM 0 HG1 THR A 38 -3.899 -11.128 -6.443 1.00 0.00 H new ATOM 0 HG21 THR A 38 -5.252 -11.076 -3.359 1.00 0.00 H new ATOM 0 HG22 THR A 38 -3.880 -10.149 -2.707 1.00 0.00 H new ATOM 0 HG23 THR A 38 -4.736 -9.571 -4.156 1.00 0.00 H new ATOM 316 N LEU A 39 -1.456 -8.890 -3.182 1.00 0.00 N ATOM 317 CA LEU A 39 -0.859 -8.420 -1.924 1.00 0.00 C ATOM 318 C LEU A 39 -1.922 -7.596 -1.186 1.00 0.00 C ATOM 319 O LEU A 39 -2.808 -7.032 -1.821 1.00 0.00 O ATOM 320 CB LEU A 39 0.396 -7.540 -2.220 1.00 0.00 C ATOM 321 CG LEU A 39 1.270 -7.123 -0.990 1.00 0.00 C ATOM 322 CD1 LEU A 39 1.873 -8.358 -0.280 1.00 0.00 C ATOM 323 CD2 LEU A 39 2.375 -6.123 -1.403 1.00 0.00 C ATOM 0 H LEU A 39 -2.001 -8.169 -3.655 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.540 -9.265 -1.313 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.032 -8.080 -2.922 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.064 -6.633 -2.724 1.00 0.00 H new ATOM 0 HG LEU A 39 0.615 -6.621 -0.278 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.474 -8.032 0.569 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.069 -9.004 0.071 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.502 -8.909 -0.979 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.966 -5.852 -0.528 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.022 -6.584 -2.149 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.917 -5.228 -1.823 1.00 0.00 H new ATOM 335 N GLU A 40 -1.863 -7.566 0.146 1.00 0.00 N ATOM 336 CA GLU A 40 -2.675 -6.657 0.964 1.00 0.00 C ATOM 337 C GLU A 40 -1.752 -5.971 1.973 1.00 0.00 C ATOM 338 O GLU A 40 -0.991 -6.625 2.699 1.00 0.00 O ATOM 339 CB GLU A 40 -3.849 -7.399 1.654 1.00 0.00 C ATOM 340 CG GLU A 40 -3.439 -8.600 2.512 1.00 0.00 C ATOM 341 CD GLU A 40 -4.634 -9.334 3.145 1.00 0.00 C ATOM 342 OE1 GLU A 40 -5.401 -9.994 2.406 1.00 0.00 O ATOM 343 OE2 GLU A 40 -4.823 -9.256 4.378 1.00 0.00 O ATOM 0 H GLU A 40 -1.250 -8.172 0.692 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.139 -5.903 0.328 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.389 -6.690 2.282 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.545 -7.740 0.887 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.876 -9.301 1.897 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.770 -8.261 3.303 1.00 0.00 H new ATOM 350 N VAL A 41 -1.807 -4.648 1.974 1.00 0.00 N ATOM 351 CA VAL A 41 -0.896 -3.787 2.737 1.00 0.00 C ATOM 352 C VAL A 41 -1.698 -2.673 3.443 1.00 0.00 C ATOM 353 O VAL A 41 -2.727 -2.209 2.934 1.00 0.00 O ATOM 354 CB VAL A 41 0.211 -3.202 1.767 1.00 0.00 C ATOM 355 CG1 VAL A 41 -0.429 -2.598 0.502 1.00 0.00 C ATOM 356 CG2 VAL A 41 1.136 -2.188 2.485 1.00 0.00 C ATOM 0 H VAL A 41 -2.498 -4.125 1.436 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.390 -4.365 3.510 1.00 0.00 H new ATOM 0 HB VAL A 41 0.845 -4.032 1.454 1.00 0.00 H new ATOM 0 HG11 VAL A 41 0.352 -2.203 -0.148 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.986 -3.370 -0.028 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.106 -1.793 0.786 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.880 -1.813 1.782 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.541 -1.356 2.862 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.639 -2.680 3.317 1.00 0.00 H new ATOM 366 N SER A 42 -1.208 -2.263 4.620 1.00 0.00 N ATOM 367 CA SER A 42 -1.853 -1.246 5.457 1.00 0.00 C ATOM 368 C SER A 42 -1.263 0.137 5.113 1.00 0.00 C ATOM 369 O SER A 42 -0.084 0.403 5.366 1.00 0.00 O ATOM 370 CB SER A 42 -1.647 -1.601 6.947 1.00 0.00 C ATOM 371 OG SER A 42 -2.143 -2.906 7.225 1.00 0.00 O ATOM 0 H SER A 42 -0.345 -2.632 5.020 1.00 0.00 H new ATOM 0 HA SER A 42 -2.926 -1.216 5.266 1.00 0.00 H new ATOM 0 HB2 SER A 42 -0.587 -1.549 7.196 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.158 -0.871 7.574 1.00 0.00 H new ATOM 0 HG SER A 42 -2.003 -3.114 8.172 1.00 0.00 H new ATOM 377 N LEU A 43 -2.091 0.982 4.489 1.00 0.00 N ATOM 378 CA LEU A 43 -1.757 2.379 4.155 1.00 0.00 C ATOM 379 C LEU A 43 -2.581 3.326 5.028 1.00 0.00 C ATOM 380 O LEU A 43 -3.790 3.197 5.067 1.00 0.00 O ATOM 381 CB LEU A 43 -2.052 2.660 2.655 1.00 0.00 C ATOM 382 CG LEU A 43 -1.870 4.141 2.188 1.00 0.00 C ATOM 383 CD1 LEU A 43 -0.473 4.664 2.542 1.00 0.00 C ATOM 384 CD2 LEU A 43 -2.159 4.300 0.683 1.00 0.00 C ATOM 0 H LEU A 43 -3.030 0.713 4.195 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.696 2.543 4.341 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.401 2.027 2.052 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.077 2.356 2.443 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.600 4.746 2.726 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.375 5.696 2.205 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.331 4.619 3.622 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.281 4.049 2.051 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.022 5.342 0.394 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.474 3.673 0.113 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.186 3.998 0.476 1.00 0.00 H new ATOM 396 N SER A 44 -1.932 4.317 5.663 1.00 0.00 N ATOM 397 CA SER A 44 -2.623 5.278 6.538 1.00 0.00 C ATOM 398 C SER A 44 -3.399 6.293 5.676 1.00 0.00 C ATOM 399 O SER A 44 -2.938 6.659 4.589 1.00 0.00 O ATOM 400 CB SER A 44 -1.628 5.988 7.481 1.00 0.00 C ATOM 401 OG SER A 44 -2.299 6.770 8.455 1.00 0.00 O ATOM 0 H SER A 44 -0.927 4.473 5.586 1.00 0.00 H new ATOM 0 HA SER A 44 -3.331 4.738 7.167 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.003 5.245 7.977 1.00 0.00 H new ATOM 0 HB3 SER A 44 -0.964 6.625 6.897 1.00 0.00 H new ATOM 0 HG SER A 44 -2.246 7.717 8.208 1.00 0.00 H new ATOM 407 N ARG A 45 -4.565 6.743 6.179 1.00 0.00 N ATOM 408 CA ARG A 45 -5.510 7.592 5.414 1.00 0.00 C ATOM 409 C ARG A 45 -4.903 8.961 5.016 1.00 0.00 C ATOM 410 O ARG A 45 -5.364 9.596 4.058 1.00 0.00 O ATOM 411 CB ARG A 45 -6.831 7.775 6.206 1.00 0.00 C ATOM 412 CG ARG A 45 -6.706 8.622 7.497 1.00 0.00 C ATOM 413 CD ARG A 45 -7.936 8.499 8.414 1.00 0.00 C ATOM 414 NE ARG A 45 -9.183 8.963 7.781 1.00 0.00 N ATOM 415 CZ ARG A 45 -10.394 8.918 8.352 1.00 0.00 C ATOM 416 NH1 ARG A 45 -10.560 8.374 9.547 1.00 0.00 N ATOM 417 NH2 ARG A 45 -11.440 9.414 7.720 1.00 0.00 N ATOM 0 H ARG A 45 -4.881 6.531 7.125 1.00 0.00 H new ATOM 0 HA ARG A 45 -5.725 7.072 4.481 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.568 8.242 5.552 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -7.218 6.791 6.471 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -5.817 8.310 8.046 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -6.563 9.668 7.227 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -8.054 7.458 8.714 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -7.762 9.075 9.323 1.00 0.00 H new ATOM 0 HE ARG A 45 -9.119 9.347 6.838 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -9.760 7.982 10.045 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -11.488 8.346 9.970 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -11.327 9.832 6.796 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -12.362 9.380 8.155 1.00 0.00 H new ATOM 431 N ASP A 46 -3.854 9.389 5.741 1.00 0.00 N ATOM 432 CA ASP A 46 -3.157 10.677 5.507 1.00 0.00 C ATOM 433 C ASP A 46 -1.779 10.472 4.843 1.00 0.00 C ATOM 434 O ASP A 46 -1.128 11.444 4.458 1.00 0.00 O ATOM 435 CB ASP A 46 -3.005 11.450 6.847 1.00 0.00 C ATOM 436 CG ASP A 46 -2.158 10.705 7.894 1.00 0.00 C ATOM 437 OD1 ASP A 46 -2.620 9.667 8.407 1.00 0.00 O ATOM 438 OD2 ASP A 46 -1.037 11.160 8.218 1.00 0.00 O ATOM 0 H ASP A 46 -3.460 8.851 6.512 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.765 11.265 4.819 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.550 12.420 6.648 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -3.995 11.641 7.261 1.00 0.00 H new ATOM 443 N SER A 47 -1.338 9.209 4.724 1.00 0.00 N ATOM 444 CA SER A 47 -0.073 8.858 4.072 1.00 0.00 C ATOM 445 C SER A 47 -0.333 8.607 2.572 1.00 0.00 C ATOM 446 O SER A 47 -1.304 7.926 2.234 1.00 0.00 O ATOM 447 CB SER A 47 0.533 7.605 4.735 1.00 0.00 C ATOM 448 OG SER A 47 0.742 7.812 6.125 1.00 0.00 O ATOM 0 H SER A 47 -1.853 8.403 5.079 1.00 0.00 H new ATOM 0 HA SER A 47 0.638 9.677 4.180 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.132 6.754 4.587 1.00 0.00 H new ATOM 0 HB3 SER A 47 1.480 7.357 4.255 1.00 0.00 H new ATOM 0 HG SER A 47 1.125 7.002 6.522 1.00 0.00 H new ATOM 454 N PRO A 48 0.519 9.161 1.652 1.00 0.00 N ATOM 455 CA PRO A 48 0.336 9.007 0.194 1.00 0.00 C ATOM 456 C PRO A 48 0.448 7.560 -0.282 1.00 0.00 C ATOM 457 O PRO A 48 1.112 6.740 0.344 1.00 0.00 O ATOM 458 CB PRO A 48 1.458 9.863 -0.450 1.00 0.00 C ATOM 459 CG PRO A 48 2.079 10.643 0.660 1.00 0.00 C ATOM 460 CD PRO A 48 1.705 9.971 1.969 1.00 0.00 C ATOM 0 HA PRO A 48 -0.667 9.325 -0.089 1.00 0.00 H new ATOM 0 HB2 PRO A 48 2.197 9.230 -0.941 1.00 0.00 H new ATOM 0 HB3 PRO A 48 1.051 10.528 -1.212 1.00 0.00 H new ATOM 0 HG2 PRO A 48 3.162 10.676 0.544 1.00 0.00 H new ATOM 0 HG3 PRO A 48 1.726 11.674 0.646 1.00 0.00 H new ATOM 0 HD2 PRO A 48 2.520 9.350 2.341 1.00 0.00 H new ATOM 0 HD3 PRO A 48 1.486 10.707 2.743 1.00 0.00 H new ATOM 468 N LEU A 49 -0.189 7.296 -1.419 1.00 0.00 N ATOM 469 CA LEU A 49 -0.105 6.027 -2.142 1.00 0.00 C ATOM 470 C LEU A 49 1.348 5.624 -2.422 1.00 0.00 C ATOM 471 O LEU A 49 1.635 4.442 -2.454 1.00 0.00 O ATOM 472 CB LEU A 49 -0.946 6.112 -3.462 1.00 0.00 C ATOM 473 CG LEU A 49 -2.453 5.736 -3.333 1.00 0.00 C ATOM 474 CD1 LEU A 49 -2.613 4.218 -3.126 1.00 0.00 C ATOM 475 CD2 LEU A 49 -3.141 6.527 -2.204 1.00 0.00 C ATOM 0 H LEU A 49 -0.795 7.977 -1.877 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.525 5.244 -1.511 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.877 7.128 -3.849 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.490 5.456 -4.204 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.948 6.010 -4.265 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.671 3.972 -3.038 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.187 3.688 -3.978 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.094 3.918 -2.216 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.190 6.238 -2.144 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.650 6.309 -1.256 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.070 7.595 -2.412 1.00 0.00 H new ATOM 487 N LYS A 50 2.257 6.611 -2.589 1.00 0.00 N ATOM 488 CA LYS A 50 3.678 6.362 -2.904 1.00 0.00 C ATOM 489 C LYS A 50 4.382 5.476 -1.845 1.00 0.00 C ATOM 490 O LYS A 50 5.226 4.649 -2.198 1.00 0.00 O ATOM 491 CB LYS A 50 4.428 7.717 -3.153 1.00 0.00 C ATOM 492 CG LYS A 50 4.683 8.640 -1.924 1.00 0.00 C ATOM 493 CD LYS A 50 5.986 8.305 -1.153 1.00 0.00 C ATOM 494 CE LYS A 50 6.258 9.251 0.026 1.00 0.00 C ATOM 495 NZ LYS A 50 6.569 10.633 -0.421 1.00 0.00 N ATOM 0 H LYS A 50 2.024 7.601 -2.509 1.00 0.00 H new ATOM 0 HA LYS A 50 3.716 5.785 -3.828 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.392 7.488 -3.606 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.858 8.286 -3.887 1.00 0.00 H new ATOM 0 HG2 LYS A 50 4.727 9.676 -2.261 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.837 8.563 -1.241 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.927 7.282 -0.782 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.828 8.345 -1.843 1.00 0.00 H new ATOM 0 HE2 LYS A 50 5.387 9.271 0.682 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.091 8.865 0.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.779 11.227 0.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 7.395 10.616 -1.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 5.752 11.025 -0.930 1.00 0.00 H new ATOM 509 N THR A 51 4.039 5.651 -0.548 1.00 0.00 N ATOM 510 CA THR A 51 4.649 4.845 0.531 1.00 0.00 C ATOM 511 C THR A 51 4.188 3.357 0.438 1.00 0.00 C ATOM 512 O THR A 51 4.958 2.429 0.730 1.00 0.00 O ATOM 513 CB THR A 51 4.377 5.455 1.953 1.00 0.00 C ATOM 514 OG1 THR A 51 5.250 4.862 2.923 1.00 0.00 O ATOM 515 CG2 THR A 51 2.931 5.281 2.432 1.00 0.00 C ATOM 0 H THR A 51 3.352 6.334 -0.227 1.00 0.00 H new ATOM 0 HA THR A 51 5.729 4.870 0.389 1.00 0.00 H new ATOM 0 HB THR A 51 4.565 6.524 1.855 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.072 5.251 3.805 1.00 0.00 H new ATOM 0 HG21 THR A 51 2.819 5.727 3.420 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.255 5.773 1.733 1.00 0.00 H new ATOM 0 HG23 THR A 51 2.690 4.219 2.483 1.00 0.00 H new ATOM 523 N LEU A 52 2.929 3.164 -0.015 1.00 0.00 N ATOM 524 CA LEU A 52 2.337 1.843 -0.322 1.00 0.00 C ATOM 525 C LEU A 52 2.985 1.251 -1.595 1.00 0.00 C ATOM 526 O LEU A 52 3.201 0.041 -1.684 1.00 0.00 O ATOM 527 CB LEU A 52 0.780 2.002 -0.472 1.00 0.00 C ATOM 528 CG LEU A 52 -0.051 0.790 -1.063 1.00 0.00 C ATOM 529 CD1 LEU A 52 -1.470 0.735 -0.454 1.00 0.00 C ATOM 530 CD2 LEU A 52 -0.158 0.838 -2.618 1.00 0.00 C ATOM 0 H LEU A 52 2.284 3.937 -0.180 1.00 0.00 H new ATOM 0 HA LEU A 52 2.533 1.144 0.491 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.374 2.233 0.513 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.595 2.870 -1.105 1.00 0.00 H new ATOM 0 HG LEU A 52 0.497 -0.112 -0.790 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.016 -0.107 -0.879 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.398 0.612 0.627 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.999 1.661 -0.679 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.738 -0.016 -2.969 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.652 1.761 -2.920 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.841 0.802 -3.053 1.00 0.00 H new ATOM 542 N MET A 53 3.257 2.131 -2.577 1.00 0.00 N ATOM 543 CA MET A 53 3.915 1.775 -3.856 1.00 0.00 C ATOM 544 C MET A 53 5.308 1.198 -3.617 1.00 0.00 C ATOM 545 O MET A 53 5.700 0.220 -4.262 1.00 0.00 O ATOM 546 CB MET A 53 3.991 3.001 -4.806 1.00 0.00 C ATOM 547 CG MET A 53 2.623 3.513 -5.254 1.00 0.00 C ATOM 548 SD MET A 53 2.722 5.008 -6.253 1.00 0.00 S ATOM 549 CE MET A 53 1.003 5.232 -6.693 1.00 0.00 C ATOM 0 H MET A 53 3.025 3.122 -2.507 1.00 0.00 H new ATOM 0 HA MET A 53 3.307 1.008 -4.336 1.00 0.00 H new ATOM 0 HB2 MET A 53 4.525 3.807 -4.303 1.00 0.00 H new ATOM 0 HB3 MET A 53 4.575 2.733 -5.686 1.00 0.00 H new ATOM 0 HG2 MET A 53 2.119 2.734 -5.826 1.00 0.00 H new ATOM 0 HG3 MET A 53 2.010 3.710 -4.375 1.00 0.00 H new ATOM 0 HE1 MET A 53 0.931 5.522 -7.741 1.00 0.00 H new ATOM 0 HE2 MET A 53 0.463 4.298 -6.537 1.00 0.00 H new ATOM 0 HE3 MET A 53 0.567 6.013 -6.070 1.00 0.00 H new ATOM 559 N SER A 54 6.018 1.807 -2.651 1.00 0.00 N ATOM 560 CA SER A 54 7.334 1.345 -2.204 1.00 0.00 C ATOM 561 C SER A 54 7.213 -0.033 -1.535 1.00 0.00 C ATOM 562 O SER A 54 8.049 -0.904 -1.752 1.00 0.00 O ATOM 563 CB SER A 54 7.961 2.368 -1.232 1.00 0.00 C ATOM 564 OG SER A 54 8.095 3.632 -1.851 1.00 0.00 O ATOM 0 H SER A 54 5.689 2.638 -2.159 1.00 0.00 H new ATOM 0 HA SER A 54 7.987 1.252 -3.072 1.00 0.00 H new ATOM 0 HB2 SER A 54 7.339 2.458 -0.341 1.00 0.00 H new ATOM 0 HB3 SER A 54 8.938 2.013 -0.904 1.00 0.00 H new ATOM 0 HG SER A 54 7.207 4.021 -1.996 1.00 0.00 H new ATOM 570 N HIS A 55 6.126 -0.235 -0.766 1.00 0.00 N ATOM 571 CA HIS A 55 5.913 -1.474 -0.006 1.00 0.00 C ATOM 572 C HIS A 55 5.677 -2.661 -0.966 1.00 0.00 C ATOM 573 O HIS A 55 6.270 -3.725 -0.787 1.00 0.00 O ATOM 574 CB HIS A 55 4.724 -1.313 0.987 1.00 0.00 C ATOM 575 CG HIS A 55 4.746 -2.284 2.152 1.00 0.00 C ATOM 576 ND1 HIS A 55 4.618 -1.885 3.467 1.00 0.00 N ATOM 577 CD2 HIS A 55 4.874 -3.634 2.196 1.00 0.00 C ATOM 578 CE1 HIS A 55 4.657 -2.939 4.257 1.00 0.00 C ATOM 579 NE2 HIS A 55 4.813 -4.010 3.511 1.00 0.00 N ATOM 0 H HIS A 55 5.379 0.451 -0.657 1.00 0.00 H new ATOM 0 HA HIS A 55 6.810 -1.682 0.577 1.00 0.00 H new ATOM 0 HB2 HIS A 55 4.728 -0.295 1.378 1.00 0.00 H new ATOM 0 HB3 HIS A 55 3.790 -1.441 0.440 1.00 0.00 H new ATOM 0 HD2 HIS A 55 5.001 -4.292 1.349 1.00 0.00 H new ATOM 0 HE1 HIS A 55 4.575 -2.925 5.334 1.00 0.00 H new ATOM 0 HE2 HIS A 55 4.878 -4.968 3.856 1.00 0.00 H new ATOM 588 N TYR A 56 4.787 -2.459 -1.962 1.00 0.00 N ATOM 589 CA TYR A 56 4.470 -3.474 -2.988 1.00 0.00 C ATOM 590 C TYR A 56 5.737 -3.955 -3.724 1.00 0.00 C ATOM 591 O TYR A 56 6.009 -5.153 -3.763 1.00 0.00 O ATOM 592 CB TYR A 56 3.429 -2.931 -4.013 1.00 0.00 C ATOM 593 CG TYR A 56 2.989 -3.968 -5.084 1.00 0.00 C ATOM 594 CD1 TYR A 56 1.949 -4.872 -4.829 1.00 0.00 C ATOM 595 CD2 TYR A 56 3.625 -4.056 -6.334 1.00 0.00 C ATOM 596 CE1 TYR A 56 1.565 -5.814 -5.769 1.00 0.00 C ATOM 597 CE2 TYR A 56 3.244 -5.003 -7.272 1.00 0.00 C ATOM 598 CZ TYR A 56 2.213 -5.876 -6.985 1.00 0.00 C ATOM 599 OH TYR A 56 1.831 -6.820 -7.918 1.00 0.00 O ATOM 0 H TYR A 56 4.269 -1.588 -2.076 1.00 0.00 H new ATOM 0 HA TYR A 56 4.035 -4.328 -2.468 1.00 0.00 H new ATOM 0 HB2 TYR A 56 2.547 -2.588 -3.471 1.00 0.00 H new ATOM 0 HB3 TYR A 56 3.851 -2.062 -4.517 1.00 0.00 H new ATOM 0 HD1 TYR A 56 1.436 -4.833 -3.879 1.00 0.00 H new ATOM 0 HD2 TYR A 56 4.427 -3.372 -6.569 1.00 0.00 H new ATOM 0 HE1 TYR A 56 0.759 -6.499 -5.550 1.00 0.00 H new ATOM 0 HE2 TYR A 56 3.752 -5.058 -8.224 1.00 0.00 H new ATOM 0 HH TYR A 56 2.386 -6.730 -8.721 1.00 0.00 H new ATOM 609 N GLU A 57 6.485 -3.000 -4.309 1.00 0.00 N ATOM 610 CA GLU A 57 7.678 -3.316 -5.134 1.00 0.00 C ATOM 611 C GLU A 57 8.785 -4.026 -4.313 1.00 0.00 C ATOM 612 O GLU A 57 9.440 -4.941 -4.824 1.00 0.00 O ATOM 613 CB GLU A 57 8.235 -2.060 -5.866 1.00 0.00 C ATOM 614 CG GLU A 57 8.627 -0.910 -4.935 1.00 0.00 C ATOM 615 CD GLU A 57 9.229 0.300 -5.662 1.00 0.00 C ATOM 616 OE1 GLU A 57 8.463 1.101 -6.250 1.00 0.00 O ATOM 617 OE2 GLU A 57 10.472 0.457 -5.648 1.00 0.00 O ATOM 0 H GLU A 57 6.288 -2.002 -4.229 1.00 0.00 H new ATOM 0 HA GLU A 57 7.344 -4.016 -5.900 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.107 -2.352 -6.451 1.00 0.00 H new ATOM 0 HB3 GLU A 57 7.484 -1.702 -6.570 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.745 -0.587 -4.381 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.347 -1.277 -4.203 1.00 0.00 H new ATOM 624 N GLU A 58 8.981 -3.616 -3.045 1.00 0.00 N ATOM 625 CA GLU A 58 9.947 -4.272 -2.136 1.00 0.00 C ATOM 626 C GLU A 58 9.510 -5.711 -1.784 1.00 0.00 C ATOM 627 O GLU A 58 10.321 -6.644 -1.875 1.00 0.00 O ATOM 628 CB GLU A 58 10.154 -3.430 -0.847 1.00 0.00 C ATOM 629 CG GLU A 58 10.836 -2.068 -1.081 1.00 0.00 C ATOM 630 CD GLU A 58 10.947 -1.231 0.204 1.00 0.00 C ATOM 631 OE1 GLU A 58 9.899 -0.804 0.731 1.00 0.00 O ATOM 632 OE2 GLU A 58 12.073 -1.001 0.703 1.00 0.00 O ATOM 0 H GLU A 58 8.483 -2.832 -2.624 1.00 0.00 H new ATOM 0 HA GLU A 58 10.899 -4.336 -2.662 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.185 -3.262 -0.378 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.753 -4.007 -0.143 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.833 -2.231 -1.491 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.273 -1.508 -1.827 1.00 0.00 H new ATOM 639 N ALA A 59 8.229 -5.890 -1.403 1.00 0.00 N ATOM 640 CA ALA A 59 7.662 -7.191 -0.983 1.00 0.00 C ATOM 641 C ALA A 59 7.651 -8.216 -2.128 1.00 0.00 C ATOM 642 O ALA A 59 8.107 -9.353 -1.970 1.00 0.00 O ATOM 643 CB ALA A 59 6.226 -6.968 -0.469 1.00 0.00 C ATOM 0 H ALA A 59 7.551 -5.129 -1.377 1.00 0.00 H new ATOM 0 HA ALA A 59 8.294 -7.596 -0.193 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.799 -7.921 -0.157 1.00 0.00 H new ATOM 0 HB2 ALA A 59 6.245 -6.284 0.379 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.617 -6.541 -1.266 1.00 0.00 H new ATOM 649 N MET A 60 7.151 -7.773 -3.286 1.00 0.00 N ATOM 650 CA MET A 60 6.881 -8.632 -4.457 1.00 0.00 C ATOM 651 C MET A 60 8.161 -8.908 -5.299 1.00 0.00 C ATOM 652 O MET A 60 8.071 -9.400 -6.423 1.00 0.00 O ATOM 653 CB MET A 60 5.750 -7.965 -5.311 1.00 0.00 C ATOM 654 CG MET A 60 4.975 -8.919 -6.233 1.00 0.00 C ATOM 655 SD MET A 60 4.120 -10.225 -5.321 1.00 0.00 S ATOM 656 CE MET A 60 2.870 -9.302 -4.425 1.00 0.00 C ATOM 0 H MET A 60 6.917 -6.793 -3.445 1.00 0.00 H new ATOM 0 HA MET A 60 6.548 -9.610 -4.111 1.00 0.00 H new ATOM 0 HB2 MET A 60 5.043 -7.484 -4.635 1.00 0.00 H new ATOM 0 HB3 MET A 60 6.194 -7.178 -5.920 1.00 0.00 H new ATOM 0 HG2 MET A 60 4.248 -8.349 -6.811 1.00 0.00 H new ATOM 0 HG3 MET A 60 5.665 -9.371 -6.946 1.00 0.00 H new ATOM 0 HE1 MET A 60 2.145 -9.994 -3.996 1.00 0.00 H new ATOM 0 HE2 MET A 60 3.343 -8.730 -3.627 1.00 0.00 H new ATOM 0 HE3 MET A 60 2.362 -8.621 -5.107 1.00 0.00 H new ATOM 666 N GLY A 61 9.352 -8.669 -4.704 1.00 0.00 N ATOM 667 CA GLY A 61 10.643 -8.820 -5.398 1.00 0.00 C ATOM 668 C GLY A 61 10.799 -8.012 -6.695 1.00 0.00 C ATOM 669 O GLY A 61 11.584 -8.392 -7.572 1.00 0.00 O ATOM 0 H GLY A 61 9.441 -8.368 -3.734 1.00 0.00 H new ATOM 0 HA2 GLY A 61 11.439 -8.530 -4.713 1.00 0.00 H new ATOM 0 HA3 GLY A 61 10.790 -9.875 -5.629 1.00 0.00 H new ATOM 673 N LEU A 62 10.073 -6.885 -6.797 1.00 0.00 N ATOM 674 CA LEU A 62 10.124 -5.962 -7.967 1.00 0.00 C ATOM 675 C LEU A 62 11.277 -4.928 -7.835 1.00 0.00 C ATOM 676 O LEU A 62 11.252 -3.875 -8.485 1.00 0.00 O ATOM 677 CB LEU A 62 8.736 -5.257 -8.165 1.00 0.00 C ATOM 678 CG LEU A 62 7.733 -5.911 -9.178 1.00 0.00 C ATOM 679 CD1 LEU A 62 8.330 -5.978 -10.599 1.00 0.00 C ATOM 680 CD2 LEU A 62 7.243 -7.287 -8.707 1.00 0.00 C ATOM 0 H LEU A 62 9.427 -6.578 -6.070 1.00 0.00 H new ATOM 0 HA LEU A 62 10.336 -6.555 -8.857 1.00 0.00 H new ATOM 0 HB2 LEU A 62 8.245 -5.201 -7.193 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.921 -4.233 -8.488 1.00 0.00 H new ATOM 0 HG LEU A 62 6.857 -5.263 -9.217 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.609 -6.437 -11.275 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.562 -4.970 -10.944 1.00 0.00 H new ATOM 0 HD13 LEU A 62 9.242 -6.574 -10.583 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.551 -7.698 -9.442 1.00 0.00 H new ATOM 0 HD22 LEU A 62 8.095 -7.958 -8.595 1.00 0.00 H new ATOM 0 HD23 LEU A 62 6.735 -7.184 -7.748 1.00 0.00 H new ATOM 692 N SER A 63 12.300 -5.261 -7.022 1.00 0.00 N ATOM 693 CA SER A 63 13.513 -4.447 -6.860 1.00 0.00 C ATOM 694 C SER A 63 14.401 -4.544 -8.126 1.00 0.00 C ATOM 695 O SER A 63 15.264 -5.425 -8.239 1.00 0.00 O ATOM 696 CB SER A 63 14.273 -4.893 -5.581 1.00 0.00 C ATOM 697 OG SER A 63 14.454 -6.303 -5.543 1.00 0.00 O ATOM 0 H SER A 63 12.304 -6.110 -6.457 1.00 0.00 H new ATOM 0 HA SER A 63 13.238 -3.399 -6.740 1.00 0.00 H new ATOM 0 HB2 SER A 63 15.244 -4.400 -5.544 1.00 0.00 H new ATOM 0 HB3 SER A 63 13.719 -4.573 -4.698 1.00 0.00 H new ATOM 0 HG SER A 63 14.778 -6.615 -6.414 1.00 0.00 H new ATOM 703 N GLY A 64 14.114 -3.655 -9.091 1.00 0.00 N ATOM 704 CA GLY A 64 14.842 -3.580 -10.357 1.00 0.00 C ATOM 705 C GLY A 64 14.258 -2.498 -11.251 1.00 0.00 C ATOM 706 O GLY A 64 14.978 -1.649 -11.788 1.00 0.00 O ATOM 0 H GLY A 64 13.366 -2.967 -9.009 1.00 0.00 H new ATOM 0 HA2 GLY A 64 15.894 -3.371 -10.165 1.00 0.00 H new ATOM 0 HA3 GLY A 64 14.796 -4.543 -10.866 1.00 0.00 H new ATOM 710 N ARG A 65 12.926 -2.529 -11.390 1.00 0.00 N ATOM 711 CA ARG A 65 12.155 -1.550 -12.171 1.00 0.00 C ATOM 712 C ARG A 65 10.965 -1.085 -11.337 1.00 0.00 C ATOM 713 O ARG A 65 10.292 -1.908 -10.708 1.00 0.00 O ATOM 714 CB ARG A 65 11.668 -2.187 -13.501 1.00 0.00 C ATOM 715 CG ARG A 65 10.837 -1.255 -14.418 1.00 0.00 C ATOM 716 CD ARG A 65 10.439 -1.929 -15.746 1.00 0.00 C ATOM 717 NE ARG A 65 9.612 -3.138 -15.537 1.00 0.00 N ATOM 718 CZ ARG A 65 9.530 -4.184 -16.379 1.00 0.00 C ATOM 719 NH1 ARG A 65 10.225 -4.209 -17.512 1.00 0.00 N ATOM 720 NH2 ARG A 65 8.746 -5.208 -16.077 1.00 0.00 N ATOM 0 H ARG A 65 12.344 -3.246 -10.957 1.00 0.00 H new ATOM 0 HA ARG A 65 12.786 -0.696 -12.416 1.00 0.00 H new ATOM 0 HB2 ARG A 65 12.538 -2.535 -14.058 1.00 0.00 H new ATOM 0 HB3 ARG A 65 11.068 -3.066 -13.265 1.00 0.00 H new ATOM 0 HG2 ARG A 65 9.936 -0.941 -13.890 1.00 0.00 H new ATOM 0 HG3 ARG A 65 11.412 -0.354 -14.631 1.00 0.00 H new ATOM 0 HD2 ARG A 65 9.889 -1.217 -16.361 1.00 0.00 H new ATOM 0 HD3 ARG A 65 11.339 -2.198 -16.298 1.00 0.00 H new ATOM 0 HE ARG A 65 9.057 -3.182 -14.682 1.00 0.00 H new ATOM 0 HH11 ARG A 65 10.833 -3.427 -17.755 1.00 0.00 H new ATOM 0 HH12 ARG A 65 10.150 -5.011 -18.138 1.00 0.00 H new ATOM 0 HH21 ARG A 65 8.209 -5.201 -15.210 1.00 0.00 H new ATOM 0 HH22 ARG A 65 8.680 -6.004 -16.711 1.00 0.00 H new ATOM 734 N LYS A 66 10.721 0.234 -11.309 1.00 0.00 N ATOM 735 CA LYS A 66 9.565 0.810 -10.618 1.00 0.00 C ATOM 736 C LYS A 66 8.334 0.746 -11.533 1.00 0.00 C ATOM 737 O LYS A 66 8.423 1.013 -12.737 1.00 0.00 O ATOM 738 CB LYS A 66 9.857 2.259 -10.171 1.00 0.00 C ATOM 739 CG LYS A 66 8.753 2.877 -9.287 1.00 0.00 C ATOM 740 CD LYS A 66 9.197 4.175 -8.583 1.00 0.00 C ATOM 741 CE LYS A 66 8.091 4.750 -7.690 1.00 0.00 C ATOM 742 NZ LYS A 66 7.661 3.788 -6.642 1.00 0.00 N ATOM 0 H LYS A 66 11.318 0.925 -11.763 1.00 0.00 H new ATOM 0 HA LYS A 66 9.361 0.228 -9.719 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.799 2.277 -9.623 1.00 0.00 H new ATOM 0 HB3 LYS A 66 9.991 2.881 -11.056 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.878 3.086 -9.902 1.00 0.00 H new ATOM 0 HG3 LYS A 66 8.448 2.149 -8.535 1.00 0.00 H new ATOM 0 HD2 LYS A 66 10.083 3.976 -7.980 1.00 0.00 H new ATOM 0 HD3 LYS A 66 9.480 4.915 -9.331 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.447 5.665 -7.217 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.234 5.022 -8.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.695 3.462 -6.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 8.307 2.973 -6.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.680 4.255 -5.713 1.00 0.00 H new ATOM 756 N LEU A 67 7.194 0.397 -10.935 1.00 0.00 N ATOM 757 CA LEU A 67 5.938 0.102 -11.639 1.00 0.00 C ATOM 758 C LEU A 67 4.861 1.118 -11.235 1.00 0.00 C ATOM 759 O LEU A 67 4.953 1.748 -10.170 1.00 0.00 O ATOM 760 CB LEU A 67 5.475 -1.398 -11.406 1.00 0.00 C ATOM 761 CG LEU A 67 5.762 -2.102 -10.016 1.00 0.00 C ATOM 762 CD1 LEU A 67 7.253 -2.387 -9.800 1.00 0.00 C ATOM 763 CD2 LEU A 67 5.179 -1.329 -8.822 1.00 0.00 C ATOM 0 H LEU A 67 7.113 0.308 -9.922 1.00 0.00 H new ATOM 0 HA LEU A 67 6.106 0.201 -12.711 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.399 -1.436 -11.574 1.00 0.00 H new ATOM 0 HB3 LEU A 67 5.941 -2.006 -12.181 1.00 0.00 H new ATOM 0 HG LEU A 67 5.244 -3.060 -10.067 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.395 -2.870 -8.833 1.00 0.00 H new ATOM 0 HD12 LEU A 67 7.616 -3.044 -10.590 1.00 0.00 H new ATOM 0 HD13 LEU A 67 7.810 -1.450 -9.823 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.408 -1.860 -7.898 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.617 -0.332 -8.785 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.098 -1.246 -8.935 1.00 0.00 H new ATOM 775 N SER A 68 3.858 1.284 -12.104 1.00 0.00 N ATOM 776 CA SER A 68 2.744 2.211 -11.886 1.00 0.00 C ATOM 777 C SER A 68 1.507 1.471 -11.366 1.00 0.00 C ATOM 778 O SER A 68 1.487 0.246 -11.281 1.00 0.00 O ATOM 779 CB SER A 68 2.434 2.960 -13.183 1.00 0.00 C ATOM 780 OG SER A 68 3.508 3.795 -13.567 1.00 0.00 O ATOM 0 H SER A 68 3.797 0.774 -12.985 1.00 0.00 H new ATOM 0 HA SER A 68 3.033 2.936 -11.125 1.00 0.00 H new ATOM 0 HB2 SER A 68 2.226 2.243 -13.978 1.00 0.00 H new ATOM 0 HB3 SER A 68 1.534 3.560 -13.052 1.00 0.00 H new ATOM 0 HG SER A 68 3.280 4.259 -14.400 1.00 0.00 H new ATOM 786 N PHE A 69 0.475 2.256 -11.042 1.00 0.00 N ATOM 787 CA PHE A 69 -0.666 1.832 -10.214 1.00 0.00 C ATOM 788 C PHE A 69 -1.955 2.443 -10.767 1.00 0.00 C ATOM 789 O PHE A 69 -1.966 3.608 -11.180 1.00 0.00 O ATOM 790 CB PHE A 69 -0.480 2.264 -8.715 1.00 0.00 C ATOM 791 CG PHE A 69 0.529 1.440 -7.895 1.00 0.00 C ATOM 792 CD1 PHE A 69 1.889 1.473 -8.181 1.00 0.00 C ATOM 793 CD2 PHE A 69 0.114 0.631 -6.836 1.00 0.00 C ATOM 794 CE1 PHE A 69 2.790 0.723 -7.460 1.00 0.00 C ATOM 795 CE2 PHE A 69 1.024 -0.116 -6.109 1.00 0.00 C ATOM 796 CZ PHE A 69 2.358 -0.072 -6.424 1.00 0.00 C ATOM 0 H PHE A 69 0.405 3.225 -11.353 1.00 0.00 H new ATOM 0 HA PHE A 69 -0.724 0.744 -10.248 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -0.168 3.308 -8.695 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -1.449 2.211 -8.220 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.246 2.100 -8.985 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -0.934 0.587 -6.580 1.00 0.00 H new ATOM 0 HE1 PHE A 69 3.840 0.759 -7.709 1.00 0.00 H new ATOM 0 HE2 PHE A 69 0.683 -0.735 -5.292 1.00 0.00 H new ATOM 0 HZ PHE A 69 3.067 -0.660 -5.860 1.00 0.00 H new ATOM 806 N PHE A 70 -3.028 1.636 -10.782 1.00 0.00 N ATOM 807 CA PHE A 70 -4.382 2.073 -11.163 1.00 0.00 C ATOM 808 C PHE A 70 -5.385 1.788 -10.028 1.00 0.00 C ATOM 809 O PHE A 70 -5.261 0.813 -9.305 1.00 0.00 O ATOM 810 CB PHE A 70 -4.846 1.389 -12.484 1.00 0.00 C ATOM 811 CG PHE A 70 -4.122 1.849 -13.761 1.00 0.00 C ATOM 812 CD1 PHE A 70 -3.603 3.143 -13.888 1.00 0.00 C ATOM 813 CD2 PHE A 70 -3.995 0.993 -14.851 1.00 0.00 C ATOM 814 CE1 PHE A 70 -2.992 3.556 -15.057 1.00 0.00 C ATOM 815 CE2 PHE A 70 -3.377 1.408 -16.014 1.00 0.00 C ATOM 816 CZ PHE A 70 -2.878 2.689 -16.118 1.00 0.00 C ATOM 0 H PHE A 70 -2.980 0.650 -10.527 1.00 0.00 H new ATOM 0 HA PHE A 70 -4.348 3.149 -11.335 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -4.713 0.312 -12.380 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -5.914 1.568 -12.609 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -3.681 3.830 -13.059 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -4.386 -0.012 -14.786 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -2.604 4.561 -15.137 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -3.284 0.726 -16.846 1.00 0.00 H new ATOM 0 HZ PHE A 70 -2.399 3.011 -17.031 1.00 0.00 H new ATOM 826 N PHE A 71 -6.336 2.698 -9.863 1.00 0.00 N ATOM 827 CA PHE A 71 -7.496 2.535 -8.973 1.00 0.00 C ATOM 828 C PHE A 71 -8.751 2.869 -9.779 1.00 0.00 C ATOM 829 O PHE A 71 -8.993 4.038 -10.081 1.00 0.00 O ATOM 830 CB PHE A 71 -7.337 3.439 -7.722 1.00 0.00 C ATOM 831 CG PHE A 71 -8.550 3.501 -6.797 1.00 0.00 C ATOM 832 CD1 PHE A 71 -8.925 2.396 -6.036 1.00 0.00 C ATOM 833 CD2 PHE A 71 -9.307 4.669 -6.679 1.00 0.00 C ATOM 834 CE1 PHE A 71 -10.016 2.456 -5.194 1.00 0.00 C ATOM 835 CE2 PHE A 71 -10.395 4.727 -5.836 1.00 0.00 C ATOM 836 CZ PHE A 71 -10.750 3.622 -5.092 1.00 0.00 C ATOM 0 H PHE A 71 -6.329 3.593 -10.352 1.00 0.00 H new ATOM 0 HA PHE A 71 -7.574 1.511 -8.607 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.481 3.086 -7.147 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -7.103 4.451 -8.054 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -8.355 1.482 -6.106 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -9.035 5.540 -7.257 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -10.297 1.590 -4.613 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -10.970 5.638 -5.758 1.00 0.00 H new ATOM 0 HZ PHE A 71 -11.602 3.668 -4.430 1.00 0.00 H new ATOM 846 N ASP A 72 -9.521 1.822 -10.145 1.00 0.00 N ATOM 847 CA ASP A 72 -10.655 1.907 -11.097 1.00 0.00 C ATOM 848 C ASP A 72 -10.167 2.381 -12.494 1.00 0.00 C ATOM 849 O ASP A 72 -10.924 2.930 -13.300 1.00 0.00 O ATOM 850 CB ASP A 72 -11.796 2.803 -10.499 1.00 0.00 C ATOM 851 CG ASP A 72 -13.079 2.860 -11.350 1.00 0.00 C ATOM 852 OD1 ASP A 72 -13.763 1.819 -11.480 1.00 0.00 O ATOM 853 OD2 ASP A 72 -13.419 3.943 -11.883 1.00 0.00 O ATOM 0 H ASP A 72 -9.372 0.880 -9.784 1.00 0.00 H new ATOM 0 HA ASP A 72 -11.081 0.915 -11.247 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -12.050 2.430 -9.507 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -11.415 3.816 -10.371 1.00 0.00 H new ATOM 858 N GLY A 73 -8.883 2.094 -12.792 1.00 0.00 N ATOM 859 CA GLY A 73 -8.240 2.542 -14.034 1.00 0.00 C ATOM 860 C GLY A 73 -7.549 3.901 -13.910 1.00 0.00 C ATOM 861 O GLY A 73 -6.771 4.277 -14.796 1.00 0.00 O ATOM 0 H GLY A 73 -8.272 1.550 -12.182 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -7.506 1.797 -14.342 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -8.990 2.596 -14.823 1.00 0.00 H new ATOM 865 N THR A 74 -7.828 4.639 -12.815 1.00 0.00 N ATOM 866 CA THR A 74 -7.239 5.970 -12.558 1.00 0.00 C ATOM 867 C THR A 74 -5.734 5.856 -12.267 1.00 0.00 C ATOM 868 O THR A 74 -5.331 5.098 -11.381 1.00 0.00 O ATOM 869 CB THR A 74 -7.951 6.677 -11.353 1.00 0.00 C ATOM 870 OG1 THR A 74 -9.361 6.775 -11.617 1.00 0.00 O ATOM 871 CG2 THR A 74 -7.386 8.084 -11.061 1.00 0.00 C ATOM 0 H THR A 74 -8.468 4.329 -12.084 1.00 0.00 H new ATOM 0 HA THR A 74 -7.384 6.570 -13.456 1.00 0.00 H new ATOM 0 HB THR A 74 -7.765 6.065 -10.470 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.805 7.215 -10.863 1.00 0.00 H new ATOM 0 HG21 THR A 74 -7.919 8.522 -10.217 1.00 0.00 H new ATOM 0 HG22 THR A 74 -6.326 8.008 -10.821 1.00 0.00 H new ATOM 0 HG23 THR A 74 -7.514 8.717 -11.939 1.00 0.00 H new ATOM 879 N LYS A 75 -4.926 6.624 -13.015 1.00 0.00 N ATOM 880 CA LYS A 75 -3.474 6.655 -12.830 1.00 0.00 C ATOM 881 C LYS A 75 -3.131 7.326 -11.487 1.00 0.00 C ATOM 882 O LYS A 75 -3.386 8.521 -11.290 1.00 0.00 O ATOM 883 CB LYS A 75 -2.775 7.373 -14.017 1.00 0.00 C ATOM 884 CG LYS A 75 -1.239 7.518 -13.874 1.00 0.00 C ATOM 885 CD LYS A 75 -0.511 6.169 -13.652 1.00 0.00 C ATOM 886 CE LYS A 75 0.996 6.353 -13.417 1.00 0.00 C ATOM 887 NZ LYS A 75 1.670 6.996 -14.579 1.00 0.00 N ATOM 0 H LYS A 75 -5.262 7.236 -13.759 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.101 5.631 -12.809 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -2.990 6.824 -14.933 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.211 8.366 -14.131 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -0.842 7.993 -14.771 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.021 8.182 -13.038 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.951 5.658 -12.795 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.666 5.528 -14.520 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.152 6.961 -12.526 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.454 5.383 -13.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.698 7.009 -14.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.459 6.458 -15.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.324 7.971 -14.685 1.00 0.00 H new ATOM 901 N LEU A 76 -2.583 6.521 -10.570 1.00 0.00 N ATOM 902 CA LEU A 76 -2.087 6.989 -9.275 1.00 0.00 C ATOM 903 C LEU A 76 -0.615 7.412 -9.468 1.00 0.00 C ATOM 904 O LEU A 76 0.246 6.565 -9.749 1.00 0.00 O ATOM 905 CB LEU A 76 -2.218 5.861 -8.210 1.00 0.00 C ATOM 906 CG LEU A 76 -3.601 5.136 -8.137 1.00 0.00 C ATOM 907 CD1 LEU A 76 -3.648 4.137 -6.959 1.00 0.00 C ATOM 908 CD2 LEU A 76 -4.770 6.150 -8.088 1.00 0.00 C ATOM 0 H LEU A 76 -2.471 5.517 -10.709 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.671 7.837 -8.916 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -1.450 5.113 -8.407 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.003 6.288 -7.231 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.723 4.557 -9.053 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.622 3.649 -6.935 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.869 3.386 -7.088 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.486 4.671 -6.023 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.717 5.612 -8.038 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.665 6.783 -7.207 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.752 6.770 -8.985 1.00 0.00 H new ATOM 920 N SER A 77 -0.352 8.720 -9.368 1.00 0.00 N ATOM 921 CA SER A 77 0.984 9.310 -9.571 1.00 0.00 C ATOM 922 C SER A 77 1.861 9.154 -8.300 1.00 0.00 C ATOM 923 O SER A 77 3.094 9.263 -8.373 1.00 0.00 O ATOM 924 CB SER A 77 0.827 10.800 -9.962 1.00 0.00 C ATOM 925 OG SER A 77 2.060 11.390 -10.326 1.00 0.00 O ATOM 0 H SER A 77 -1.068 9.411 -9.141 1.00 0.00 H new ATOM 0 HA SER A 77 1.491 8.781 -10.378 1.00 0.00 H new ATOM 0 HB2 SER A 77 0.127 10.884 -10.793 1.00 0.00 H new ATOM 0 HB3 SER A 77 0.396 11.350 -9.125 1.00 0.00 H new ATOM 0 HG SER A 77 1.915 12.329 -10.567 1.00 0.00 H new ATOM 931 N GLY A 78 1.217 8.894 -7.146 1.00 0.00 N ATOM 932 CA GLY A 78 1.912 8.666 -5.875 1.00 0.00 C ATOM 933 C GLY A 78 1.544 9.678 -4.797 1.00 0.00 C ATOM 934 O GLY A 78 1.383 9.312 -3.628 1.00 0.00 O ATOM 0 H GLY A 78 0.201 8.837 -7.074 1.00 0.00 H new ATOM 0 HA2 GLY A 78 1.680 7.663 -5.517 1.00 0.00 H new ATOM 0 HA3 GLY A 78 2.988 8.702 -6.046 1.00 0.00 H new ATOM 938 N ARG A 79 1.394 10.956 -5.195 1.00 0.00 N ATOM 939 CA ARG A 79 1.179 12.084 -4.251 1.00 0.00 C ATOM 940 C ARG A 79 -0.289 12.201 -3.820 1.00 0.00 C ATOM 941 O ARG A 79 -0.638 13.107 -3.054 1.00 0.00 O ATOM 942 CB ARG A 79 1.670 13.414 -4.885 1.00 0.00 C ATOM 943 CG ARG A 79 3.137 13.376 -5.351 1.00 0.00 C ATOM 944 CD ARG A 79 3.639 14.733 -5.871 1.00 0.00 C ATOM 945 NE ARG A 79 5.004 14.642 -6.424 1.00 0.00 N ATOM 946 CZ ARG A 79 6.143 14.638 -5.707 1.00 0.00 C ATOM 947 NH1 ARG A 79 6.130 14.759 -4.377 1.00 0.00 N ATOM 948 NH2 ARG A 79 7.300 14.529 -6.339 1.00 0.00 N ATOM 0 H ARG A 79 1.417 11.241 -6.174 1.00 0.00 H new ATOM 0 HA ARG A 79 1.763 11.879 -3.354 1.00 0.00 H new ATOM 0 HB2 ARG A 79 1.034 13.656 -5.737 1.00 0.00 H new ATOM 0 HB3 ARG A 79 1.550 14.218 -4.159 1.00 0.00 H new ATOM 0 HG2 ARG A 79 3.767 13.056 -4.522 1.00 0.00 H new ATOM 0 HG3 ARG A 79 3.243 12.630 -6.139 1.00 0.00 H new ATOM 0 HD2 ARG A 79 2.960 15.100 -6.640 1.00 0.00 H new ATOM 0 HD3 ARG A 79 3.624 15.460 -5.059 1.00 0.00 H new ATOM 0 HE ARG A 79 5.092 14.576 -7.438 1.00 0.00 H new ATOM 0 HH11 ARG A 79 5.243 14.857 -3.882 1.00 0.00 H new ATOM 0 HH12 ARG A 79 7.007 14.753 -3.856 1.00 0.00 H new ATOM 0 HH21 ARG A 79 7.320 14.450 -7.356 1.00 0.00 H new ATOM 0 HH22 ARG A 79 8.172 14.524 -5.810 1.00 0.00 H new ATOM 962 N GLU A 80 -1.145 11.291 -4.302 1.00 0.00 N ATOM 963 CA GLU A 80 -2.531 11.220 -3.861 1.00 0.00 C ATOM 964 C GLU A 80 -2.556 10.478 -2.532 1.00 0.00 C ATOM 965 O GLU A 80 -1.734 9.600 -2.283 1.00 0.00 O ATOM 966 CB GLU A 80 -3.440 10.481 -4.885 1.00 0.00 C ATOM 967 CG GLU A 80 -3.456 11.059 -6.320 1.00 0.00 C ATOM 968 CD GLU A 80 -2.151 10.836 -7.095 1.00 0.00 C ATOM 969 OE1 GLU A 80 -1.608 9.720 -7.023 1.00 0.00 O ATOM 970 OE2 GLU A 80 -1.647 11.778 -7.741 1.00 0.00 O ATOM 0 H GLU A 80 -0.893 10.593 -5.002 1.00 0.00 H new ATOM 0 HA GLU A 80 -2.920 12.233 -3.763 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -3.122 9.440 -4.938 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.461 10.483 -4.502 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -4.278 10.606 -6.874 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -3.658 12.129 -6.268 1.00 0.00 H new ATOM 977 N LEU A 81 -3.500 10.843 -1.706 1.00 0.00 N ATOM 978 CA LEU A 81 -3.776 10.198 -0.429 1.00 0.00 C ATOM 979 C LEU A 81 -5.004 9.286 -0.626 1.00 0.00 C ATOM 980 O LEU A 81 -5.813 9.556 -1.521 1.00 0.00 O ATOM 981 CB LEU A 81 -4.036 11.329 0.605 1.00 0.00 C ATOM 982 CG LEU A 81 -2.924 12.437 0.679 1.00 0.00 C ATOM 983 CD1 LEU A 81 -3.328 13.622 1.571 1.00 0.00 C ATOM 984 CD2 LEU A 81 -1.578 11.856 1.137 1.00 0.00 C ATOM 0 H LEU A 81 -4.126 11.624 -1.901 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.952 9.582 -0.068 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.986 11.806 0.366 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.144 10.879 1.592 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.809 12.818 -0.336 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.523 14.357 1.586 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.233 14.083 1.176 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.514 13.267 2.585 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.833 12.651 1.176 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -1.690 11.414 2.127 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.254 11.090 0.433 1.00 0.00 H new ATOM 996 N PRO A 82 -5.181 8.185 0.163 1.00 0.00 N ATOM 997 CA PRO A 82 -6.384 7.324 0.045 1.00 0.00 C ATOM 998 C PRO A 82 -7.665 8.079 0.489 1.00 0.00 C ATOM 999 O PRO A 82 -8.773 7.726 0.083 1.00 0.00 O ATOM 1000 CB PRO A 82 -6.045 6.114 0.950 1.00 0.00 C ATOM 1001 CG PRO A 82 -5.086 6.664 1.952 1.00 0.00 C ATOM 1002 CD PRO A 82 -4.248 7.679 1.205 1.00 0.00 C ATOM 0 HA PRO A 82 -6.604 7.017 -0.978 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -6.938 5.714 1.431 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -5.600 5.301 0.377 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -5.614 7.129 2.784 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -4.462 5.874 2.371 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -3.904 8.479 1.861 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -3.361 7.224 0.765 1.00 0.00 H new ATOM 1010 N ALA A 83 -7.472 9.130 1.307 1.00 0.00 N ATOM 1011 CA ALA A 83 -8.521 10.115 1.635 1.00 0.00 C ATOM 1012 C ALA A 83 -8.999 10.858 0.366 1.00 0.00 C ATOM 1013 O ALA A 83 -10.199 11.066 0.164 1.00 0.00 O ATOM 1014 CB ALA A 83 -7.995 11.115 2.675 1.00 0.00 C ATOM 0 H ALA A 83 -6.579 9.321 1.762 1.00 0.00 H new ATOM 0 HA ALA A 83 -9.375 9.582 2.054 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -8.775 11.838 2.911 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -7.709 10.581 3.581 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -7.127 11.637 2.272 1.00 0.00 H new ATOM 1020 N ASP A 84 -8.027 11.221 -0.492 1.00 0.00 N ATOM 1021 CA ASP A 84 -8.267 11.982 -1.737 1.00 0.00 C ATOM 1022 C ASP A 84 -8.963 11.102 -2.798 1.00 0.00 C ATOM 1023 O ASP A 84 -9.920 11.529 -3.449 1.00 0.00 O ATOM 1024 CB ASP A 84 -6.916 12.525 -2.279 1.00 0.00 C ATOM 1025 CG ASP A 84 -7.035 13.218 -3.649 1.00 0.00 C ATOM 1026 OD1 ASP A 84 -7.434 14.400 -3.698 1.00 0.00 O ATOM 1027 OD2 ASP A 84 -6.725 12.583 -4.683 1.00 0.00 O ATOM 0 H ASP A 84 -7.044 10.993 -0.341 1.00 0.00 H new ATOM 0 HA ASP A 84 -8.929 12.819 -1.516 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -6.503 13.231 -1.559 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -6.208 11.700 -2.359 1.00 0.00 H new ATOM 1032 N LEU A 85 -8.459 9.869 -2.961 1.00 0.00 N ATOM 1033 CA LEU A 85 -8.977 8.893 -3.949 1.00 0.00 C ATOM 1034 C LEU A 85 -10.311 8.257 -3.488 1.00 0.00 C ATOM 1035 O LEU A 85 -10.970 7.565 -4.267 1.00 0.00 O ATOM 1036 CB LEU A 85 -7.915 7.795 -4.193 1.00 0.00 C ATOM 1037 CG LEU A 85 -6.539 8.292 -4.748 1.00 0.00 C ATOM 1038 CD1 LEU A 85 -5.503 7.168 -4.730 1.00 0.00 C ATOM 1039 CD2 LEU A 85 -6.669 8.887 -6.173 1.00 0.00 C ATOM 0 H LEU A 85 -7.677 9.513 -2.411 1.00 0.00 H new ATOM 0 HA LEU A 85 -9.178 9.426 -4.879 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -7.739 7.271 -3.254 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.326 7.067 -4.892 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.198 9.090 -4.088 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.556 7.540 -5.121 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -5.362 6.820 -3.707 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -5.852 6.342 -5.350 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.690 9.219 -6.519 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -7.055 8.126 -6.851 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -7.354 9.735 -6.152 1.00 0.00 H new ATOM 1051 N GLY A 86 -10.684 8.477 -2.209 1.00 0.00 N ATOM 1052 CA GLY A 86 -11.949 7.967 -1.657 1.00 0.00 C ATOM 1053 C GLY A 86 -11.903 6.476 -1.321 1.00 0.00 C ATOM 1054 O GLY A 86 -12.936 5.796 -1.326 1.00 0.00 O ATOM 0 H GLY A 86 -10.123 9.006 -1.541 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -12.197 8.528 -0.756 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -12.749 8.146 -2.375 1.00 0.00 H new ATOM 1058 N MET A 87 -10.692 5.981 -1.028 1.00 0.00 N ATOM 1059 CA MET A 87 -10.447 4.584 -0.628 1.00 0.00 C ATOM 1060 C MET A 87 -10.941 4.316 0.807 1.00 0.00 C ATOM 1061 O MET A 87 -11.144 5.243 1.600 1.00 0.00 O ATOM 1062 CB MET A 87 -8.935 4.250 -0.733 1.00 0.00 C ATOM 1063 CG MET A 87 -8.372 4.259 -2.152 1.00 0.00 C ATOM 1064 SD MET A 87 -6.598 3.933 -2.176 1.00 0.00 S ATOM 1065 CE MET A 87 -6.283 3.783 -3.927 1.00 0.00 C ATOM 0 H MET A 87 -9.843 6.545 -1.062 1.00 0.00 H new ATOM 0 HA MET A 87 -11.007 3.942 -1.308 1.00 0.00 H new ATOM 0 HB2 MET A 87 -8.377 4.967 -0.132 1.00 0.00 H new ATOM 0 HB3 MET A 87 -8.764 3.266 -0.296 1.00 0.00 H new ATOM 0 HG2 MET A 87 -8.887 3.508 -2.751 1.00 0.00 H new ATOM 0 HG3 MET A 87 -8.569 5.226 -2.614 1.00 0.00 H new ATOM 0 HE1 MET A 87 -5.207 3.776 -4.104 1.00 0.00 H new ATOM 0 HE2 MET A 87 -6.717 2.854 -4.297 1.00 0.00 H new ATOM 0 HE3 MET A 87 -6.732 4.627 -4.451 1.00 0.00 H new ATOM 1075 N GLU A 88 -11.109 3.032 1.110 1.00 0.00 N ATOM 1076 CA GLU A 88 -11.545 2.522 2.417 1.00 0.00 C ATOM 1077 C GLU A 88 -10.900 1.134 2.618 1.00 0.00 C ATOM 1078 O GLU A 88 -10.470 0.513 1.642 1.00 0.00 O ATOM 1079 CB GLU A 88 -13.102 2.435 2.437 1.00 0.00 C ATOM 1080 CG GLU A 88 -13.722 2.037 3.784 1.00 0.00 C ATOM 1081 CD GLU A 88 -15.251 1.895 3.717 1.00 0.00 C ATOM 1082 OE1 GLU A 88 -15.965 2.912 3.896 1.00 0.00 O ATOM 1083 OE2 GLU A 88 -15.744 0.764 3.480 1.00 0.00 O ATOM 0 H GLU A 88 -10.941 2.288 0.433 1.00 0.00 H new ATOM 0 HA GLU A 88 -11.237 3.182 3.228 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -13.507 3.403 2.142 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -13.418 1.714 1.683 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -13.288 1.093 4.114 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -13.464 2.785 4.533 1.00 0.00 H new ATOM 1090 N SER A 89 -10.822 0.654 3.871 1.00 0.00 N ATOM 1091 CA SER A 89 -10.287 -0.689 4.177 1.00 0.00 C ATOM 1092 C SER A 89 -11.135 -1.767 3.465 1.00 0.00 C ATOM 1093 O SER A 89 -12.315 -1.946 3.791 1.00 0.00 O ATOM 1094 CB SER A 89 -10.268 -0.924 5.705 1.00 0.00 C ATOM 1095 OG SER A 89 -9.656 -2.160 6.048 1.00 0.00 O ATOM 0 H SER A 89 -11.123 1.177 4.693 1.00 0.00 H new ATOM 0 HA SER A 89 -9.262 -0.757 3.812 1.00 0.00 H new ATOM 0 HB2 SER A 89 -9.733 -0.108 6.190 1.00 0.00 H new ATOM 0 HB3 SER A 89 -11.289 -0.907 6.087 1.00 0.00 H new ATOM 0 HG SER A 89 -9.663 -2.269 7.022 1.00 0.00 H new ATOM 1101 N GLY A 90 -10.531 -2.440 2.467 1.00 0.00 N ATOM 1102 CA GLY A 90 -11.229 -3.419 1.628 1.00 0.00 C ATOM 1103 C GLY A 90 -11.023 -3.173 0.134 1.00 0.00 C ATOM 1104 O GLY A 90 -11.093 -4.123 -0.655 1.00 0.00 O ATOM 0 H GLY A 90 -9.548 -2.317 2.224 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -10.879 -4.420 1.878 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -12.295 -3.389 1.853 1.00 0.00 H new ATOM 1108 N ASP A 91 -10.796 -1.890 -0.248 1.00 0.00 N ATOM 1109 CA ASP A 91 -10.590 -1.458 -1.665 1.00 0.00 C ATOM 1110 C ASP A 91 -9.490 -2.240 -2.412 1.00 0.00 C ATOM 1111 O ASP A 91 -8.693 -2.968 -1.810 1.00 0.00 O ATOM 1112 CB ASP A 91 -10.312 0.076 -1.745 1.00 0.00 C ATOM 1113 CG ASP A 91 -11.600 0.919 -1.706 1.00 0.00 C ATOM 1114 OD1 ASP A 91 -12.228 1.008 -0.642 1.00 0.00 O ATOM 1115 OD2 ASP A 91 -12.002 1.467 -2.752 1.00 0.00 O ATOM 0 H ASP A 91 -10.750 -1.118 0.418 1.00 0.00 H new ATOM 0 HA ASP A 91 -11.525 -1.690 -2.176 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -9.667 0.367 -0.916 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -9.768 0.295 -2.664 1.00 0.00 H new ATOM 1120 N LEU A 92 -9.416 -2.002 -3.739 1.00 0.00 N ATOM 1121 CA LEU A 92 -8.630 -2.821 -4.660 1.00 0.00 C ATOM 1122 C LEU A 92 -7.797 -1.893 -5.562 1.00 0.00 C ATOM 1123 O LEU A 92 -8.334 -1.164 -6.400 1.00 0.00 O ATOM 1124 CB LEU A 92 -9.556 -3.730 -5.519 1.00 0.00 C ATOM 1125 CG LEU A 92 -8.819 -4.757 -6.439 1.00 0.00 C ATOM 1126 CD1 LEU A 92 -8.058 -5.814 -5.604 1.00 0.00 C ATOM 1127 CD2 LEU A 92 -9.789 -5.412 -7.451 1.00 0.00 C ATOM 0 H LEU A 92 -9.905 -1.231 -4.194 1.00 0.00 H new ATOM 0 HA LEU A 92 -7.966 -3.471 -4.090 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -10.221 -4.278 -4.851 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -10.184 -3.094 -6.143 1.00 0.00 H new ATOM 0 HG LEU A 92 -8.078 -4.207 -7.019 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -7.556 -6.513 -6.273 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -7.318 -5.318 -4.976 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -8.763 -6.357 -4.974 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -9.242 -6.120 -8.074 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -10.577 -5.937 -6.912 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -10.232 -4.641 -8.082 1.00 0.00 H new ATOM 1139 N ILE A 93 -6.492 -1.904 -5.331 1.00 0.00 N ATOM 1140 CA ILE A 93 -5.504 -1.180 -6.140 1.00 0.00 C ATOM 1141 C ILE A 93 -4.910 -2.151 -7.178 1.00 0.00 C ATOM 1142 O ILE A 93 -4.881 -3.367 -6.965 1.00 0.00 O ATOM 1143 CB ILE A 93 -4.380 -0.549 -5.234 1.00 0.00 C ATOM 1144 CG1 ILE A 93 -5.030 0.263 -4.071 1.00 0.00 C ATOM 1145 CG2 ILE A 93 -3.414 0.354 -6.052 1.00 0.00 C ATOM 1146 CD1 ILE A 93 -4.046 0.817 -3.061 1.00 0.00 C ATOM 0 H ILE A 93 -6.075 -2.426 -4.560 1.00 0.00 H new ATOM 0 HA ILE A 93 -5.991 -0.353 -6.657 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.788 -1.365 -4.820 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -5.598 1.090 -4.496 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -5.742 -0.378 -3.551 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -2.655 0.769 -5.389 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -2.932 -0.239 -6.829 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -3.977 1.166 -6.512 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -4.586 1.366 -2.290 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.494 -0.004 -2.603 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -3.349 1.488 -3.563 1.00 0.00 H new ATOM 1158 N GLU A 94 -4.459 -1.601 -8.305 1.00 0.00 N ATOM 1159 CA GLU A 94 -3.973 -2.345 -9.470 1.00 0.00 C ATOM 1160 C GLU A 94 -2.545 -1.843 -9.766 1.00 0.00 C ATOM 1161 O GLU A 94 -2.156 -0.781 -9.272 1.00 0.00 O ATOM 1162 CB GLU A 94 -4.922 -2.112 -10.681 1.00 0.00 C ATOM 1163 CG GLU A 94 -6.406 -2.409 -10.385 1.00 0.00 C ATOM 1164 CD GLU A 94 -7.349 -1.980 -11.518 1.00 0.00 C ATOM 1165 OE1 GLU A 94 -7.718 -0.780 -11.584 1.00 0.00 O ATOM 1166 OE2 GLU A 94 -7.725 -2.836 -12.353 1.00 0.00 O ATOM 0 H GLU A 94 -4.420 -0.590 -8.438 1.00 0.00 H new ATOM 0 HA GLU A 94 -3.956 -3.418 -9.279 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -4.828 -1.077 -11.008 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -4.596 -2.739 -11.510 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -6.527 -3.477 -10.206 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -6.696 -1.897 -9.467 1.00 0.00 H new ATOM 1173 N VAL A 95 -1.768 -2.602 -10.554 1.00 0.00 N ATOM 1174 CA VAL A 95 -0.345 -2.305 -10.842 1.00 0.00 C ATOM 1175 C VAL A 95 -0.043 -2.652 -12.302 1.00 0.00 C ATOM 1176 O VAL A 95 -0.090 -3.824 -12.681 1.00 0.00 O ATOM 1177 CB VAL A 95 0.657 -3.101 -9.897 1.00 0.00 C ATOM 1178 CG1 VAL A 95 2.135 -2.932 -10.333 1.00 0.00 C ATOM 1179 CG2 VAL A 95 0.480 -2.701 -8.425 1.00 0.00 C ATOM 0 H VAL A 95 -2.106 -3.446 -11.015 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.193 -1.242 -10.653 1.00 0.00 H new ATOM 0 HB VAL A 95 0.404 -4.156 -9.998 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.780 -3.494 -9.657 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.260 -3.306 -11.349 1.00 0.00 H new ATOM 0 HG13 VAL A 95 2.406 -1.877 -10.300 1.00 0.00 H new ATOM 0 HG21 VAL A 95 1.180 -3.264 -7.808 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.674 -1.634 -8.312 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.540 -2.920 -8.109 1.00 0.00 H new ATOM 1189 N TRP A 96 0.243 -1.634 -13.125 1.00 0.00 N ATOM 1190 CA TRP A 96 0.708 -1.842 -14.501 1.00 0.00 C ATOM 1191 C TRP A 96 2.221 -1.581 -14.561 1.00 0.00 C ATOM 1192 O TRP A 96 2.733 -0.688 -13.875 1.00 0.00 O ATOM 1193 CB TRP A 96 -0.105 -0.947 -15.487 1.00 0.00 C ATOM 1194 CG TRP A 96 0.431 0.428 -15.795 1.00 0.00 C ATOM 1195 CD1 TRP A 96 0.087 1.579 -15.177 1.00 0.00 C ATOM 1196 CD2 TRP A 96 1.379 0.785 -16.822 1.00 0.00 C ATOM 1197 NE1 TRP A 96 0.735 2.640 -15.762 1.00 0.00 N ATOM 1198 CE2 TRP A 96 1.549 2.172 -16.760 1.00 0.00 C ATOM 1199 CE3 TRP A 96 2.097 0.061 -17.778 1.00 0.00 C ATOM 1200 CZ2 TRP A 96 2.405 2.857 -17.614 1.00 0.00 C ATOM 1201 CZ3 TRP A 96 2.951 0.737 -18.624 1.00 0.00 C ATOM 1202 CH2 TRP A 96 3.101 2.124 -18.537 1.00 0.00 C ATOM 0 H TRP A 96 0.159 -0.653 -12.858 1.00 0.00 H new ATOM 0 HA TRP A 96 0.537 -2.873 -14.812 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -0.200 -1.488 -16.429 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -1.111 -0.831 -15.083 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -0.597 1.654 -14.345 1.00 0.00 H new ATOM 0 HE1 TRP A 96 0.627 3.619 -15.496 1.00 0.00 H new ATOM 0 HE3 TRP A 96 1.985 -1.011 -17.853 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 2.517 3.929 -17.552 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 3.512 0.187 -19.365 1.00 0.00 H new ATOM 0 HH2 TRP A 96 3.779 2.627 -19.211 1.00 0.00 H new ATOM 1213 N GLY A 97 2.925 -2.366 -15.376 1.00 0.00 N ATOM 1214 CA GLY A 97 4.367 -2.217 -15.550 1.00 0.00 C ATOM 1215 C GLY A 97 4.919 -3.171 -16.602 1.00 0.00 C ATOM 1216 O GLY A 97 4.174 -3.534 -17.541 1.00 0.00 O ATOM 1217 OXT GLY A 97 6.099 -3.567 -16.502 1.00 0.00 O ATOM 0 H GLY A 97 2.514 -3.118 -15.930 1.00 0.00 H new ATOM 0 HA2 GLY A 97 4.593 -1.190 -15.838 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.867 -2.398 -14.599 1.00 0.00 H new TER 1221 GLY A 97