USER MOD reduce.3.24.130724 H: found=0, std=0, add=454, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 455 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 Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 52 GLN : amide:sc= -0.1 X(o=-0.1,f=0) USER MOD Single : A 55 GLN : amide:sc= -0.411 K(o=-0.41,f=-4!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 163:sc=-0.00918 (180deg=-0.123) USER MOD Single : A 75 GLN : amide:sc= -3.93 K(o=-3.9,f=-8!) USER MOD Single : A 77 ASN : amide:sc= -1.28 K(o=-1.3,f=-3!) USER MOD Single : A 80 GLN :FLIP amide:sc= -0.57 F(o=-1.2,f=-0.57) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 84 LYS NZ :NH3+ -169:sc= -0.0353 (180deg=-0.203) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot -40:sc= 1.11 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot 52:sc= 0.0521 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 46 0.283 -0.227 -1.001 1.00 71.22 N ATOM 2 CA GLY A 46 -0.042 0.751 0.020 1.00 0.40 C ATOM 3 C GLY A 46 -0.563 2.049 -0.565 1.00 72.23 C ATOM 4 O GLY A 46 -0.545 2.241 -1.781 1.00 4.00 O ATOM 0 HA2 GLY A 46 -0.790 0.333 0.694 1.00 0.40 H new ATOM 0 HA3 GLY A 46 0.846 0.956 0.618 1.00 0.40 H new ATOM 8 N SER A 47 -1.031 2.941 0.301 1.00 14.34 N ATOM 9 CA SER A 47 -1.566 4.225 -0.137 1.00 44.31 C ATOM 10 C SER A 47 -0.458 5.271 -0.231 1.00 74.33 C ATOM 11 O SER A 47 -0.110 5.912 0.759 1.00 43.12 O ATOM 12 CB SER A 47 -2.654 4.704 0.825 1.00 12.23 C ATOM 13 OG SER A 47 -3.474 5.688 0.219 1.00 12.10 O ATOM 0 H SER A 47 -1.051 2.799 1.311 1.00 14.34 H new ATOM 0 HA SER A 47 -2.001 4.090 -1.127 1.00 44.31 H new ATOM 0 HB2 SER A 47 -3.266 3.858 1.137 1.00 12.23 H new ATOM 0 HB3 SER A 47 -2.194 5.113 1.724 1.00 12.23 H new ATOM 0 HG SER A 47 -4.162 5.976 0.854 1.00 12.10 H new ATOM 19 N ASN A 48 0.090 5.436 -1.431 1.00 23.25 N ATOM 20 CA ASN A 48 1.159 6.403 -1.656 1.00 32.44 C ATOM 21 C ASN A 48 1.021 7.056 -3.028 1.00 25.44 C ATOM 22 O ASN A 48 1.769 6.761 -3.960 1.00 40.14 O ATOM 23 CB ASN A 48 2.524 5.722 -1.537 1.00 10.24 C ATOM 24 CG ASN A 48 3.636 6.706 -1.228 1.00 53.51 C ATOM 25 OD1 ASN A 48 3.921 7.605 -2.020 1.00 4.25 O ATOM 26 ND2 ASN A 48 4.269 6.540 -0.073 1.00 1.42 N ATOM 0 H ASN A 48 -0.188 4.913 -2.262 1.00 23.25 H new ATOM 0 HA ASN A 48 1.080 7.179 -0.895 1.00 32.44 H new ATOM 0 HB2 ASN A 48 2.483 4.966 -0.753 1.00 10.24 H new ATOM 0 HB3 ASN A 48 2.750 5.203 -2.468 1.00 10.24 H new ATOM 0 HD21 ASN A 48 5.026 7.172 0.189 1.00 1.42 H new ATOM 0 HD22 ASN A 48 3.999 5.781 0.552 1.00 1.42 H new ATOM 33 N PRO A 49 0.043 7.965 -3.155 1.00 25.31 N ATOM 34 CA PRO A 49 -0.215 8.679 -4.409 1.00 5.55 C ATOM 35 C PRO A 49 0.889 9.676 -4.745 1.00 65.14 C ATOM 36 O PRO A 49 1.949 9.678 -4.119 1.00 65.43 O ATOM 37 CB PRO A 49 -1.531 9.412 -4.135 1.00 24.21 C ATOM 38 CG PRO A 49 -1.572 9.575 -2.655 1.00 14.33 C ATOM 39 CD PRO A 49 -0.885 8.365 -2.085 1.00 14.22 C ATOM 0 HA PRO A 49 -0.257 8.002 -5.262 1.00 5.55 H new ATOM 0 HB2 PRO A 49 -1.559 10.377 -4.641 1.00 24.21 H new ATOM 0 HB3 PRO A 49 -2.386 8.839 -4.494 1.00 24.21 H new ATOM 0 HG2 PRO A 49 -1.066 10.491 -2.349 1.00 14.33 H new ATOM 0 HG3 PRO A 49 -2.600 9.644 -2.298 1.00 14.33 H new ATOM 0 HD2 PRO A 49 -0.356 8.601 -1.162 1.00 14.22 H new ATOM 0 HD3 PRO A 49 -1.595 7.572 -1.852 1.00 14.22 H new ATOM 47 N ASP A 50 0.634 10.522 -5.737 1.00 71.23 N ATOM 48 CA ASP A 50 1.606 11.525 -6.156 1.00 71.13 C ATOM 49 C ASP A 50 0.985 12.918 -6.153 1.00 53.24 C ATOM 50 O ASP A 50 -0.236 13.080 -6.166 1.00 43.54 O ATOM 51 CB ASP A 50 2.142 11.195 -7.550 1.00 44.01 C ATOM 52 CG ASP A 50 3.453 10.434 -7.501 1.00 74.00 C ATOM 53 OD1 ASP A 50 4.516 11.086 -7.448 1.00 5.24 O ATOM 54 OD2 ASP A 50 3.414 9.186 -7.515 1.00 42.01 O ATOM 0 H ASP A 50 -0.238 10.533 -6.266 1.00 71.23 H new ATOM 0 HA ASP A 50 2.432 11.514 -5.445 1.00 71.13 H new ATOM 0 HB2 ASP A 50 1.402 10.604 -8.090 1.00 44.01 H new ATOM 0 HB3 ASP A 50 2.282 12.119 -8.110 1.00 44.01 H new ATOM 59 N PRO A 51 1.843 13.949 -6.135 1.00 33.01 N ATOM 60 CA PRO A 51 1.401 15.347 -6.129 1.00 71.31 C ATOM 61 C PRO A 51 0.777 15.763 -7.457 1.00 20.12 C ATOM 62 O PRO A 51 0.248 16.867 -7.585 1.00 22.23 O ATOM 63 CB PRO A 51 2.694 16.126 -5.878 1.00 50.42 C ATOM 64 CG PRO A 51 3.777 15.235 -6.379 1.00 63.20 C ATOM 65 CD PRO A 51 3.310 13.829 -6.119 1.00 3.34 C ATOM 0 HA PRO A 51 0.627 15.527 -5.383 1.00 71.31 H new ATOM 0 HB2 PRO A 51 2.690 17.080 -6.406 1.00 50.42 H new ATOM 0 HB3 PRO A 51 2.823 16.348 -4.819 1.00 50.42 H new ATOM 0 HG2 PRO A 51 3.955 15.397 -7.442 1.00 63.20 H new ATOM 0 HG3 PRO A 51 4.717 15.436 -5.864 1.00 63.20 H new ATOM 0 HD2 PRO A 51 3.665 13.139 -6.885 1.00 3.34 H new ATOM 0 HD3 PRO A 51 3.672 13.456 -5.161 1.00 3.34 H new ATOM 73 N GLN A 52 0.842 14.872 -8.441 1.00 43.21 N ATOM 74 CA GLN A 52 0.283 15.149 -9.759 1.00 64.32 C ATOM 75 C GLN A 52 -1.181 14.729 -9.828 1.00 53.42 C ATOM 76 O GLN A 52 -2.001 15.405 -10.449 1.00 42.15 O ATOM 77 CB GLN A 52 1.086 14.421 -10.839 1.00 52.34 C ATOM 78 CG GLN A 52 2.588 14.615 -10.715 1.00 65.12 C ATOM 79 CD GLN A 52 3.363 13.876 -11.788 1.00 71.44 C ATOM 80 OE1 GLN A 52 4.177 14.465 -12.500 1.00 73.22 O ATOM 81 NE2 GLN A 52 3.114 12.577 -11.910 1.00 55.14 N ATOM 0 H GLN A 52 1.276 13.953 -8.351 1.00 43.21 H new ATOM 0 HA GLN A 52 0.342 16.223 -9.933 1.00 64.32 H new ATOM 0 HB2 GLN A 52 0.861 13.356 -10.791 1.00 52.34 H new ATOM 0 HB3 GLN A 52 0.762 14.772 -11.819 1.00 52.34 H new ATOM 0 HG2 GLN A 52 2.819 15.679 -10.773 1.00 65.12 H new ATOM 0 HG3 GLN A 52 2.915 14.271 -9.734 1.00 65.12 H new ATOM 0 HE21 GLN A 52 2.431 12.129 -11.299 1.00 55.14 H new ATOM 0 HE22 GLN A 52 3.606 12.027 -12.615 1.00 55.14 H new ATOM 90 N GLU A 53 -1.502 13.610 -9.186 1.00 55.44 N ATOM 91 CA GLU A 53 -2.869 13.101 -9.177 1.00 1.42 C ATOM 92 C GLU A 53 -3.651 13.664 -7.993 1.00 62.03 C ATOM 93 O GLU A 53 -4.859 13.882 -8.080 1.00 53.05 O ATOM 94 CB GLU A 53 -2.867 11.572 -9.120 1.00 43.31 C ATOM 95 CG GLU A 53 -2.043 11.007 -7.975 1.00 60.23 C ATOM 96 CD GLU A 53 -2.803 9.977 -7.163 1.00 34.04 C ATOM 97 OE1 GLU A 53 -3.633 10.381 -6.321 1.00 51.12 O ATOM 98 OE2 GLU A 53 -2.569 8.768 -7.367 1.00 61.24 O ATOM 0 H GLU A 53 -0.835 13.039 -8.666 1.00 55.44 H new ATOM 0 HA GLU A 53 -3.356 13.422 -10.098 1.00 1.42 H new ATOM 0 HB2 GLU A 53 -3.894 11.219 -9.026 1.00 43.31 H new ATOM 0 HB3 GLU A 53 -2.481 11.182 -10.062 1.00 43.31 H new ATOM 0 HG2 GLU A 53 -1.136 10.553 -8.374 1.00 60.23 H new ATOM 0 HG3 GLU A 53 -1.730 11.821 -7.321 1.00 60.23 H new ATOM 105 N VAL A 54 -2.952 13.896 -6.887 1.00 11.44 N ATOM 106 CA VAL A 54 -3.579 14.434 -5.685 1.00 73.12 C ATOM 107 C VAL A 54 -3.917 15.911 -5.855 1.00 63.12 C ATOM 108 O VAL A 54 -5.021 16.346 -5.529 1.00 44.41 O ATOM 109 CB VAL A 54 -2.670 14.265 -4.454 1.00 21.24 C ATOM 110 CG1 VAL A 54 -3.320 14.875 -3.222 1.00 13.44 C ATOM 111 CG2 VAL A 54 -2.351 12.795 -4.225 1.00 41.12 C ATOM 0 H VAL A 54 -1.951 13.720 -6.798 1.00 11.44 H new ATOM 0 HA VAL A 54 -4.498 13.870 -5.528 1.00 73.12 H new ATOM 0 HB VAL A 54 -1.734 14.792 -4.641 1.00 21.24 H new ATOM 0 HG11 VAL A 54 -2.663 14.746 -2.362 1.00 13.44 H new ATOM 0 HG12 VAL A 54 -3.493 15.938 -3.390 1.00 13.44 H new ATOM 0 HG13 VAL A 54 -4.271 14.379 -3.029 1.00 13.44 H new ATOM 0 HG21 VAL A 54 -1.708 12.694 -3.351 1.00 41.12 H new ATOM 0 HG22 VAL A 54 -3.276 12.243 -4.060 1.00 41.12 H new ATOM 0 HG23 VAL A 54 -1.840 12.393 -5.100 1.00 41.12 H new ATOM 121 N GLN A 55 -2.959 16.676 -6.368 1.00 64.13 N ATOM 122 CA GLN A 55 -3.155 18.105 -6.581 1.00 63.15 C ATOM 123 C GLN A 55 -4.420 18.366 -7.392 1.00 32.24 C ATOM 124 O GLN A 55 -5.250 19.194 -7.015 1.00 60.25 O ATOM 125 CB GLN A 55 -1.944 18.706 -7.297 1.00 42.21 C ATOM 126 CG GLN A 55 -2.084 20.192 -7.587 1.00 73.21 C ATOM 127 CD GLN A 55 -1.292 21.052 -6.623 1.00 4.20 C ATOM 128 OE1 GLN A 55 -1.830 21.972 -6.007 1.00 14.12 O ATOM 129 NE2 GLN A 55 -0.004 20.757 -6.487 1.00 11.01 N ATOM 0 H GLN A 55 -2.040 16.330 -6.644 1.00 64.13 H new ATOM 0 HA GLN A 55 -3.265 18.580 -5.606 1.00 63.15 H new ATOM 0 HB2 GLN A 55 -1.055 18.546 -6.687 1.00 42.21 H new ATOM 0 HB3 GLN A 55 -1.787 18.174 -8.235 1.00 42.21 H new ATOM 0 HG2 GLN A 55 -1.750 20.393 -8.605 1.00 73.21 H new ATOM 0 HG3 GLN A 55 -3.137 20.471 -7.536 1.00 73.21 H new ATOM 0 HE21 GLN A 55 0.401 19.986 -7.017 1.00 11.01 H new ATOM 0 HE22 GLN A 55 0.580 21.302 -5.852 1.00 11.01 H new ATOM 138 N ARG A 56 -4.561 17.654 -8.505 1.00 52.32 N ATOM 139 CA ARG A 56 -5.725 17.810 -9.369 1.00 40.34 C ATOM 140 C ARG A 56 -7.005 17.428 -8.632 1.00 0.53 C ATOM 141 O ARG A 56 -8.103 17.806 -9.038 1.00 75.33 O ATOM 142 CB ARG A 56 -5.572 16.952 -10.626 1.00 74.51 C ATOM 143 CG ARG A 56 -4.299 17.235 -11.406 1.00 71.35 C ATOM 144 CD ARG A 56 -4.453 18.457 -12.298 1.00 64.23 C ATOM 145 NE ARG A 56 -5.124 18.136 -13.555 1.00 44.43 N ATOM 146 CZ ARG A 56 -5.189 18.971 -14.587 1.00 34.23 C ATOM 147 NH1 ARG A 56 -4.627 20.169 -14.511 1.00 54.31 N ATOM 148 NH2 ARG A 56 -5.818 18.607 -15.697 1.00 61.32 N ATOM 0 H ARG A 56 -3.884 16.964 -8.830 1.00 52.32 H new ATOM 0 HA ARG A 56 -5.793 18.859 -9.659 1.00 40.34 H new ATOM 0 HB2 ARG A 56 -5.587 15.900 -10.341 1.00 74.51 H new ATOM 0 HB3 ARG A 56 -6.431 17.119 -11.276 1.00 74.51 H new ATOM 0 HG2 ARG A 56 -3.473 17.391 -10.712 1.00 71.35 H new ATOM 0 HG3 ARG A 56 -4.044 16.368 -12.015 1.00 71.35 H new ATOM 0 HD2 ARG A 56 -5.021 19.223 -11.769 1.00 64.23 H new ATOM 0 HD3 ARG A 56 -3.470 18.878 -12.509 1.00 64.23 H new ATOM 0 HE ARG A 56 -5.567 17.222 -13.646 1.00 44.43 H new ATOM 0 HH11 ARG A 56 -4.143 20.452 -13.659 1.00 54.31 H new ATOM 0 HH12 ARG A 56 -4.678 20.808 -15.305 1.00 54.31 H new ATOM 0 HH21 ARG A 56 -6.252 17.686 -15.759 1.00 61.32 H new ATOM 0 HH22 ARG A 56 -5.868 19.248 -16.489 1.00 61.32 H new ATOM 162 N ALA A 57 -6.854 16.677 -7.546 1.00 13.43 N ATOM 163 CA ALA A 57 -7.997 16.246 -6.751 1.00 33.22 C ATOM 164 C ALA A 57 -8.362 17.291 -5.702 1.00 31.55 C ATOM 165 O ALA A 57 -9.518 17.392 -5.287 1.00 43.13 O ATOM 166 CB ALA A 57 -7.704 14.909 -6.087 1.00 62.51 C ATOM 0 H ALA A 57 -5.951 16.355 -7.197 1.00 13.43 H new ATOM 0 HA ALA A 57 -8.849 16.128 -7.420 1.00 33.22 H new ATOM 0 HB1 ALA A 57 -8.566 14.599 -5.496 1.00 62.51 H new ATOM 0 HB2 ALA A 57 -7.500 14.160 -6.852 1.00 62.51 H new ATOM 0 HB3 ALA A 57 -6.835 15.009 -5.436 1.00 62.51 H new ATOM 172 N LEU A 58 -7.371 18.065 -5.275 1.00 24.33 N ATOM 173 CA LEU A 58 -7.587 19.102 -4.272 1.00 51.23 C ATOM 174 C LEU A 58 -8.652 20.092 -4.734 1.00 60.21 C ATOM 175 O LEU A 58 -9.311 20.735 -3.918 1.00 53.01 O ATOM 176 CB LEU A 58 -6.279 19.841 -3.983 1.00 71.24 C ATOM 177 CG LEU A 58 -5.616 19.532 -2.641 1.00 33.15 C ATOM 178 CD1 LEU A 58 -4.169 19.999 -2.640 1.00 21.33 C ATOM 179 CD2 LEU A 58 -6.389 20.182 -1.502 1.00 40.32 C ATOM 0 H LEU A 58 -6.409 17.994 -5.608 1.00 24.33 H new ATOM 0 HA LEU A 58 -7.935 18.622 -3.358 1.00 51.23 H new ATOM 0 HB2 LEU A 58 -5.570 19.608 -4.778 1.00 71.24 H new ATOM 0 HB3 LEU A 58 -6.472 20.913 -4.032 1.00 71.24 H new ATOM 0 HG LEU A 58 -5.628 18.452 -2.492 1.00 33.15 H new ATOM 0 HD11 LEU A 58 -3.714 19.770 -1.676 1.00 21.33 H new ATOM 0 HD12 LEU A 58 -3.621 19.487 -3.431 1.00 21.33 H new ATOM 0 HD13 LEU A 58 -4.134 21.075 -2.812 1.00 21.33 H new ATOM 0 HD21 LEU A 58 -5.903 19.951 -0.554 1.00 40.32 H new ATOM 0 HD22 LEU A 58 -6.409 21.262 -1.646 1.00 40.32 H new ATOM 0 HD23 LEU A 58 -7.409 19.798 -1.489 1.00 40.32 H new ATOM 191 N ALA A 59 -8.816 20.207 -6.048 1.00 65.30 N ATOM 192 CA ALA A 59 -9.803 21.114 -6.618 1.00 52.44 C ATOM 193 C ALA A 59 -11.162 20.435 -6.748 1.00 54.43 C ATOM 194 O ALA A 59 -12.181 21.098 -6.946 1.00 72.43 O ATOM 195 CB ALA A 59 -9.333 21.622 -7.973 1.00 41.05 C ATOM 0 H ALA A 59 -8.277 19.683 -6.737 1.00 65.30 H new ATOM 0 HA ALA A 59 -9.913 21.962 -5.943 1.00 52.44 H new ATOM 0 HB1 ALA A 59 -10.080 22.299 -8.387 1.00 41.05 H new ATOM 0 HB2 ALA A 59 -8.388 22.153 -7.855 1.00 41.05 H new ATOM 0 HB3 ALA A 59 -9.193 20.779 -8.649 1.00 41.05 H new ATOM 201 N ARG A 60 -11.170 19.111 -6.636 1.00 52.14 N ATOM 202 CA ARG A 60 -12.405 18.343 -6.743 1.00 65.35 C ATOM 203 C ARG A 60 -13.061 18.175 -5.376 1.00 40.12 C ATOM 204 O ARG A 60 -14.168 17.646 -5.269 1.00 24.11 O ATOM 205 CB ARG A 60 -12.124 16.970 -7.358 1.00 51.11 C ATOM 206 CG ARG A 60 -11.156 17.013 -8.529 1.00 50.40 C ATOM 207 CD ARG A 60 -10.978 15.639 -9.156 1.00 2.34 C ATOM 208 NE ARG A 60 -10.726 15.721 -10.592 1.00 10.02 N ATOM 209 CZ ARG A 60 -11.654 16.051 -11.483 1.00 32.10 C ATOM 210 NH1 ARG A 60 -12.889 16.329 -11.087 1.00 62.34 N ATOM 211 NH2 ARG A 60 -11.348 16.104 -12.773 1.00 60.20 N ATOM 0 H ARG A 60 -10.336 18.548 -6.471 1.00 52.14 H new ATOM 0 HA ARG A 60 -13.090 18.891 -7.390 1.00 65.35 H new ATOM 0 HB2 ARG A 60 -11.720 16.312 -6.588 1.00 51.11 H new ATOM 0 HB3 ARG A 60 -13.065 16.531 -7.691 1.00 51.11 H new ATOM 0 HG2 ARG A 60 -11.523 17.712 -9.280 1.00 50.40 H new ATOM 0 HG3 ARG A 60 -10.190 17.387 -8.190 1.00 50.40 H new ATOM 0 HD2 ARG A 60 -10.149 15.124 -8.671 1.00 2.34 H new ATOM 0 HD3 ARG A 60 -11.872 15.041 -8.978 1.00 2.34 H new ATOM 0 HE ARG A 60 -9.786 15.514 -10.929 1.00 10.02 H new ATOM 0 HH11 ARG A 60 -13.128 16.290 -10.096 1.00 62.34 H new ATOM 0 HH12 ARG A 60 -13.600 16.582 -11.773 1.00 62.34 H new ATOM 0 HH21 ARG A 60 -10.399 15.891 -13.081 1.00 60.20 H new ATOM 0 HH22 ARG A 60 -12.062 16.358 -13.456 1.00 60.20 H new ATOM 225 N ILE A 61 -12.371 18.629 -4.335 1.00 73.21 N ATOM 226 CA ILE A 61 -12.888 18.530 -2.976 1.00 23.54 C ATOM 227 C ILE A 61 -14.165 19.347 -2.812 1.00 23.45 C ATOM 228 O ILE A 61 -15.031 19.010 -2.003 1.00 23.02 O ATOM 229 CB ILE A 61 -11.850 19.007 -1.943 1.00 3.21 C ATOM 230 CG1 ILE A 61 -11.693 20.528 -2.011 1.00 63.30 C ATOM 231 CG2 ILE A 61 -10.513 18.320 -2.179 1.00 0.12 C ATOM 232 CD1 ILE A 61 -10.649 21.071 -1.060 1.00 60.52 C ATOM 0 H ILE A 61 -11.453 19.069 -4.407 1.00 73.21 H new ATOM 0 HA ILE A 61 -13.108 17.477 -2.798 1.00 23.54 H new ATOM 0 HB ILE A 61 -12.202 18.741 -0.946 1.00 3.21 H new ATOM 0 HG12 ILE A 61 -11.428 20.813 -3.029 1.00 63.30 H new ATOM 0 HG13 ILE A 61 -12.653 20.995 -1.789 1.00 63.30 H new ATOM 0 HG21 ILE A 61 -9.790 18.668 -1.441 1.00 0.12 H new ATOM 0 HG22 ILE A 61 -10.637 17.241 -2.085 1.00 0.12 H new ATOM 0 HG23 ILE A 61 -10.153 18.558 -3.180 1.00 0.12 H new ATOM 0 HD11 ILE A 61 -10.592 22.155 -1.163 1.00 60.52 H new ATOM 0 HD12 ILE A 61 -10.923 20.817 -0.036 1.00 60.52 H new ATOM 0 HD13 ILE A 61 -9.679 20.633 -1.296 1.00 60.52 H new ATOM 244 N LEU A 62 -14.276 20.421 -3.585 1.00 34.12 N ATOM 245 CA LEU A 62 -15.449 21.286 -3.527 1.00 53.43 C ATOM 246 C LEU A 62 -16.584 20.722 -4.376 1.00 14.32 C ATOM 247 O LEU A 62 -17.755 21.027 -4.147 1.00 34.30 O ATOM 248 CB LEU A 62 -15.092 22.695 -4.005 1.00 0.13 C ATOM 249 CG LEU A 62 -14.130 23.482 -3.114 1.00 31.12 C ATOM 250 CD1 LEU A 62 -13.576 24.686 -3.859 1.00 62.14 C ATOM 251 CD2 LEU A 62 -14.826 23.919 -1.833 1.00 51.32 C ATOM 0 H LEU A 62 -13.569 20.714 -4.259 1.00 34.12 H new ATOM 0 HA LEU A 62 -15.784 21.334 -2.491 1.00 53.43 H new ATOM 0 HB2 LEU A 62 -14.654 22.619 -5.000 1.00 0.13 H new ATOM 0 HB3 LEU A 62 -16.014 23.268 -4.105 1.00 0.13 H new ATOM 0 HG LEU A 62 -13.297 22.831 -2.848 1.00 31.12 H new ATOM 0 HD11 LEU A 62 -12.894 25.234 -3.209 1.00 62.14 H new ATOM 0 HD12 LEU A 62 -13.040 24.350 -4.747 1.00 62.14 H new ATOM 0 HD13 LEU A 62 -14.397 25.339 -4.156 1.00 62.14 H new ATOM 0 HD21 LEU A 62 -14.126 24.478 -1.211 1.00 51.32 H new ATOM 0 HD22 LEU A 62 -15.678 24.553 -2.080 1.00 51.32 H new ATOM 0 HD23 LEU A 62 -15.173 23.040 -1.289 1.00 51.32 H new ATOM 263 N CYS A 63 -16.230 19.897 -5.355 1.00 73.11 N ATOM 264 CA CYS A 63 -17.218 19.288 -6.237 1.00 73.23 C ATOM 265 C CYS A 63 -17.706 17.957 -5.672 1.00 25.13 C ATOM 266 O CYS A 63 -18.880 17.806 -5.335 1.00 43.25 O ATOM 267 CB CYS A 63 -16.626 19.076 -7.632 1.00 23.43 C ATOM 268 SG CYS A 63 -17.780 19.439 -8.993 1.00 70.44 S ATOM 0 H CYS A 63 -15.265 19.635 -5.558 1.00 73.11 H new ATOM 0 HA CYS A 63 -18.069 19.965 -6.310 1.00 73.23 H new ATOM 0 HB2 CYS A 63 -15.744 19.707 -7.740 1.00 23.43 H new ATOM 0 HB3 CYS A 63 -16.291 18.042 -7.720 1.00 23.43 H new ATOM 273 N ALA A 64 -16.795 16.995 -5.570 1.00 25.32 N ATOM 274 CA ALA A 64 -17.130 15.678 -5.043 1.00 71.41 C ATOM 275 C ALA A 64 -17.862 15.790 -3.710 1.00 23.42 C ATOM 276 O ALA A 64 -18.961 15.258 -3.546 1.00 65.33 O ATOM 277 CB ALA A 64 -15.873 14.835 -4.888 1.00 43.03 C ATOM 0 H ALA A 64 -15.819 17.103 -5.846 1.00 25.32 H new ATOM 0 HA ALA A 64 -17.796 15.189 -5.754 1.00 71.41 H new ATOM 0 HB1 ALA A 64 -16.139 13.854 -4.494 1.00 43.03 H new ATOM 0 HB2 ALA A 64 -15.392 14.717 -5.859 1.00 43.03 H new ATOM 0 HB3 ALA A 64 -15.186 15.329 -4.200 1.00 43.03 H new ATOM 283 N LEU A 65 -17.246 16.484 -2.759 1.00 61.41 N ATOM 284 CA LEU A 65 -17.839 16.665 -1.439 1.00 23.15 C ATOM 285 C LEU A 65 -18.054 15.321 -0.749 1.00 42.40 C ATOM 286 O LEU A 65 -18.842 15.213 0.189 1.00 20.22 O ATOM 287 CB LEU A 65 -19.169 17.411 -1.553 1.00 52.01 C ATOM 288 CG LEU A 65 -19.185 18.841 -1.013 1.00 52.50 C ATOM 289 CD1 LEU A 65 -18.042 19.649 -1.607 1.00 4.11 C ATOM 290 CD2 LEU A 65 -20.521 19.508 -1.308 1.00 40.02 C ATOM 0 H LEU A 65 -16.337 16.930 -2.878 1.00 61.41 H new ATOM 0 HA LEU A 65 -17.149 17.256 -0.836 1.00 23.15 H new ATOM 0 HB2 LEU A 65 -19.459 17.437 -2.603 1.00 52.01 H new ATOM 0 HB3 LEU A 65 -19.931 16.837 -1.026 1.00 52.01 H new ATOM 0 HG LEU A 65 -19.052 18.802 0.068 1.00 52.50 H new ATOM 0 HD11 LEU A 65 -18.070 20.664 -1.211 1.00 4.11 H new ATOM 0 HD12 LEU A 65 -17.092 19.183 -1.345 1.00 4.11 H new ATOM 0 HD13 LEU A 65 -18.144 19.680 -2.692 1.00 4.11 H new ATOM 0 HD21 LEU A 65 -20.514 20.525 -0.916 1.00 40.02 H new ATOM 0 HD22 LEU A 65 -20.684 19.535 -2.385 1.00 40.02 H new ATOM 0 HD23 LEU A 65 -21.323 18.942 -0.834 1.00 40.02 H new ATOM 302 N GLY A 66 -17.345 14.300 -1.220 1.00 60.22 N ATOM 303 CA GLY A 66 -17.471 12.977 -0.636 1.00 50.40 C ATOM 304 C GLY A 66 -16.430 12.009 -1.162 1.00 50.44 C ATOM 305 O GLY A 66 -15.817 11.269 -0.394 1.00 13.44 O ATOM 0 H GLY A 66 -16.686 14.365 -1.995 1.00 60.22 H new ATOM 0 HA2 GLY A 66 -17.379 13.051 0.448 1.00 50.40 H new ATOM 0 HA3 GLY A 66 -18.466 12.584 -0.845 1.00 50.40 H new ATOM 309 N GLU A 67 -16.231 12.014 -2.477 1.00 30.32 N ATOM 310 CA GLU A 67 -15.258 11.127 -3.104 1.00 75.23 C ATOM 311 C GLU A 67 -13.833 11.581 -2.802 1.00 34.12 C ATOM 312 O GLU A 67 -12.927 10.761 -2.653 1.00 24.31 O ATOM 313 CB GLU A 67 -15.480 11.080 -4.618 1.00 31.44 C ATOM 314 CG GLU A 67 -16.029 9.752 -5.111 1.00 62.53 C ATOM 315 CD GLU A 67 -15.024 8.623 -4.987 1.00 60.30 C ATOM 316 OE1 GLU A 67 -13.970 8.833 -4.352 1.00 0.15 O ATOM 317 OE2 GLU A 67 -15.293 7.528 -5.526 1.00 5.34 O ATOM 0 H GLU A 67 -16.730 12.621 -3.127 1.00 30.32 H new ATOM 0 HA GLU A 67 -15.397 10.128 -2.692 1.00 75.23 H new ATOM 0 HB2 GLU A 67 -16.169 11.876 -4.901 1.00 31.44 H new ATOM 0 HB3 GLU A 67 -14.535 11.283 -5.122 1.00 31.44 H new ATOM 0 HG2 GLU A 67 -16.925 9.500 -4.543 1.00 62.53 H new ATOM 0 HG3 GLU A 67 -16.330 9.852 -6.154 1.00 62.53 H new ATOM 324 N LEU A 68 -13.643 12.893 -2.713 1.00 33.30 N ATOM 325 CA LEU A 68 -12.329 13.458 -2.429 1.00 23.32 C ATOM 326 C LEU A 68 -12.032 13.420 -0.933 1.00 43.41 C ATOM 327 O LEU A 68 -10.872 13.442 -0.520 1.00 13.24 O ATOM 328 CB LEU A 68 -12.249 14.897 -2.940 1.00 51.14 C ATOM 329 CG LEU A 68 -11.081 15.213 -3.876 1.00 15.43 C ATOM 330 CD1 LEU A 68 -9.764 15.170 -3.118 1.00 3.01 C ATOM 331 CD2 LEU A 68 -11.058 14.242 -5.047 1.00 22.45 C ATOM 0 H LEU A 68 -14.382 13.585 -2.833 1.00 33.30 H new ATOM 0 HA LEU A 68 -11.582 12.854 -2.945 1.00 23.32 H new ATOM 0 HB2 LEU A 68 -13.178 15.129 -3.460 1.00 51.14 H new ATOM 0 HB3 LEU A 68 -12.190 15.564 -2.080 1.00 51.14 H new ATOM 0 HG LEU A 68 -11.217 16.220 -4.269 1.00 15.43 H new ATOM 0 HD11 LEU A 68 -8.944 15.397 -3.800 1.00 3.01 H new ATOM 0 HD12 LEU A 68 -9.782 15.906 -2.314 1.00 3.01 H new ATOM 0 HD13 LEU A 68 -9.620 14.176 -2.696 1.00 3.01 H new ATOM 0 HD21 LEU A 68 -10.221 14.482 -5.702 1.00 22.45 H new ATOM 0 HD22 LEU A 68 -10.946 13.224 -4.673 1.00 22.45 H new ATOM 0 HD23 LEU A 68 -11.991 14.323 -5.605 1.00 22.45 H new ATOM 343 N ASP A 69 -13.086 13.362 -0.127 1.00 71.13 N ATOM 344 CA ASP A 69 -12.939 13.318 1.323 1.00 64.11 C ATOM 345 C ASP A 69 -12.125 12.100 1.750 1.00 50.13 C ATOM 346 O ASP A 69 -11.573 12.063 2.849 1.00 4.14 O ATOM 347 CB ASP A 69 -14.312 13.291 1.996 1.00 62.20 C ATOM 348 CG ASP A 69 -15.057 14.602 1.845 1.00 42.44 C ATOM 349 OD1 ASP A 69 -14.622 15.440 1.028 1.00 41.45 O ATOM 350 OD2 ASP A 69 -16.074 14.791 2.544 1.00 13.40 O ATOM 0 H ASP A 69 -14.052 13.344 -0.453 1.00 71.13 H new ATOM 0 HA ASP A 69 -12.407 14.216 1.637 1.00 64.11 H new ATOM 0 HB2 ASP A 69 -14.908 12.486 1.566 1.00 62.20 H new ATOM 0 HB3 ASP A 69 -14.190 13.066 3.055 1.00 62.20 H new ATOM 355 N LYS A 70 -12.056 11.104 0.873 1.00 52.21 N ATOM 356 CA LYS A 70 -11.310 9.884 1.157 1.00 34.03 C ATOM 357 C LYS A 70 -9.816 10.094 0.932 1.00 15.43 C ATOM 358 O LYS A 70 -8.987 9.376 1.491 1.00 62.51 O ATOM 359 CB LYS A 70 -11.813 8.738 0.277 1.00 70.42 C ATOM 360 CG LYS A 70 -12.369 7.564 1.065 1.00 52.22 C ATOM 361 CD LYS A 70 -12.521 6.329 0.193 1.00 31.01 C ATOM 362 CE LYS A 70 -12.089 5.070 0.930 1.00 54.31 C ATOM 363 NZ LYS A 70 -12.172 3.863 0.061 1.00 4.54 N ATOM 0 H LYS A 70 -12.508 11.118 -0.041 1.00 52.21 H new ATOM 0 HA LYS A 70 -11.469 9.627 2.204 1.00 34.03 H new ATOM 0 HB2 LYS A 70 -12.588 9.116 -0.390 1.00 70.42 H new ATOM 0 HB3 LYS A 70 -10.994 8.388 -0.352 1.00 70.42 H new ATOM 0 HG2 LYS A 70 -11.707 7.340 1.902 1.00 52.22 H new ATOM 0 HG3 LYS A 70 -13.337 7.834 1.487 1.00 52.22 H new ATOM 0 HD2 LYS A 70 -13.560 6.230 -0.121 1.00 31.01 H new ATOM 0 HD3 LYS A 70 -11.924 6.445 -0.712 1.00 31.01 H new ATOM 0 HE2 LYS A 70 -11.066 5.191 1.287 1.00 54.31 H new ATOM 0 HE3 LYS A 70 -12.719 4.929 1.808 1.00 54.31 H new ATOM 0 HZ1 LYS A 70 -11.870 3.026 0.599 1.00 4.54 H new ATOM 0 HZ2 LYS A 70 -13.153 3.733 -0.259 1.00 4.54 H new ATOM 0 HZ3 LYS A 70 -11.552 3.986 -0.765 1.00 4.54 H new ATOM 377 N LEU A 71 -9.480 11.084 0.113 1.00 51.24 N ATOM 378 CA LEU A 71 -8.085 11.391 -0.185 1.00 31.51 C ATOM 379 C LEU A 71 -7.579 12.530 0.693 1.00 3.40 C ATOM 380 O LEU A 71 -6.604 12.375 1.429 1.00 14.24 O ATOM 381 CB LEU A 71 -7.927 11.760 -1.661 1.00 72.50 C ATOM 382 CG LEU A 71 -6.571 12.338 -2.067 1.00 12.32 C ATOM 383 CD1 LEU A 71 -6.224 11.936 -3.492 1.00 21.34 C ATOM 384 CD2 LEU A 71 -6.574 13.853 -1.924 1.00 42.32 C ATOM 0 H LEU A 71 -10.154 11.688 -0.357 1.00 51.24 H new ATOM 0 HA LEU A 71 -7.490 10.502 0.026 1.00 31.51 H new ATOM 0 HB2 LEU A 71 -8.113 10.868 -2.260 1.00 72.50 H new ATOM 0 HB3 LEU A 71 -8.700 12.484 -1.919 1.00 72.50 H new ATOM 0 HG LEU A 71 -5.810 11.931 -1.402 1.00 12.32 H new ATOM 0 HD11 LEU A 71 -5.256 12.357 -3.763 1.00 21.34 H new ATOM 0 HD12 LEU A 71 -6.180 10.849 -3.563 1.00 21.34 H new ATOM 0 HD13 LEU A 71 -6.987 12.314 -4.173 1.00 21.34 H new ATOM 0 HD21 LEU A 71 -5.601 14.248 -2.217 1.00 42.32 H new ATOM 0 HD22 LEU A 71 -7.346 14.277 -2.565 1.00 42.32 H new ATOM 0 HD23 LEU A 71 -6.777 14.120 -0.887 1.00 42.32 H new ATOM 396 N VAL A 72 -8.248 13.676 0.611 1.00 32.13 N ATOM 397 CA VAL A 72 -7.868 14.841 1.401 1.00 54.43 C ATOM 398 C VAL A 72 -7.723 14.483 2.875 1.00 32.23 C ATOM 399 O VAL A 72 -6.929 15.086 3.597 1.00 21.34 O ATOM 400 CB VAL A 72 -8.900 15.976 1.259 1.00 73.03 C ATOM 401 CG1 VAL A 72 -10.223 15.578 1.896 1.00 61.22 C ATOM 402 CG2 VAL A 72 -8.367 17.260 1.875 1.00 14.53 C ATOM 0 H VAL A 72 -9.056 13.822 0.005 1.00 32.13 H new ATOM 0 HA VAL A 72 -6.907 15.183 1.017 1.00 54.43 H new ATOM 0 HB VAL A 72 -9.075 16.154 0.198 1.00 73.03 H new ATOM 0 HG11 VAL A 72 -10.939 16.392 1.786 1.00 61.22 H new ATOM 0 HG12 VAL A 72 -10.610 14.685 1.404 1.00 61.22 H new ATOM 0 HG13 VAL A 72 -10.069 15.371 2.955 1.00 61.22 H new ATOM 0 HG21 VAL A 72 -9.109 18.051 1.766 1.00 14.53 H new ATOM 0 HG22 VAL A 72 -8.162 17.098 2.933 1.00 14.53 H new ATOM 0 HG23 VAL A 72 -7.447 17.552 1.368 1.00 14.53 H new ATOM 412 N LYS A 73 -8.496 13.496 3.317 1.00 2.24 N ATOM 413 CA LYS A 73 -8.453 13.054 4.706 1.00 13.22 C ATOM 414 C LYS A 73 -7.362 12.008 4.911 1.00 13.11 C ATOM 415 O LYS A 73 -6.747 11.940 5.975 1.00 24.10 O ATOM 416 CB LYS A 73 -9.810 12.480 5.122 1.00 43.02 C ATOM 417 CG LYS A 73 -9.861 12.030 6.572 1.00 52.14 C ATOM 418 CD LYS A 73 -11.287 11.752 7.019 1.00 44.31 C ATOM 419 CE LYS A 73 -11.655 10.289 6.828 1.00 54.11 C ATOM 420 NZ LYS A 73 -10.984 9.413 7.827 1.00 21.23 N ATOM 0 H LYS A 73 -9.160 12.987 2.733 1.00 2.24 H new ATOM 0 HA LYS A 73 -8.224 13.918 5.329 1.00 13.22 H new ATOM 0 HB2 LYS A 73 -10.580 13.234 4.957 1.00 43.02 H new ATOM 0 HB3 LYS A 73 -10.050 11.633 4.479 1.00 43.02 H new ATOM 0 HG2 LYS A 73 -9.258 11.131 6.696 1.00 52.14 H new ATOM 0 HG3 LYS A 73 -9.422 12.799 7.208 1.00 52.14 H new ATOM 0 HD2 LYS A 73 -11.400 12.023 8.069 1.00 44.31 H new ATOM 0 HD3 LYS A 73 -11.976 12.379 6.452 1.00 44.31 H new ATOM 0 HE2 LYS A 73 -12.736 10.173 6.911 1.00 54.11 H new ATOM 0 HE3 LYS A 73 -11.377 9.973 5.823 1.00 54.11 H new ATOM 0 HZ1 LYS A 73 -11.464 8.491 7.858 1.00 21.23 H new ATOM 0 HZ2 LYS A 73 -9.989 9.276 7.556 1.00 21.23 H new ATOM 0 HZ3 LYS A 73 -11.029 9.859 8.766 1.00 21.23 H new ATOM 434 N ASP A 74 -7.127 11.196 3.886 1.00 13.51 N ATOM 435 CA ASP A 74 -6.108 10.155 3.953 1.00 13.41 C ATOM 436 C ASP A 74 -4.762 10.680 3.464 1.00 52.43 C ATOM 437 O ASP A 74 -3.851 9.905 3.175 1.00 74.22 O ATOM 438 CB ASP A 74 -6.531 8.944 3.120 1.00 3.21 C ATOM 439 CG ASP A 74 -7.727 8.224 3.711 1.00 52.33 C ATOM 440 OD1 ASP A 74 -8.667 8.910 4.167 1.00 64.52 O ATOM 441 OD2 ASP A 74 -7.725 6.976 3.716 1.00 64.31 O ATOM 0 H ASP A 74 -7.628 11.239 2.999 1.00 13.51 H new ATOM 0 HA ASP A 74 -6.002 9.851 4.994 1.00 13.41 H new ATOM 0 HB2 ASP A 74 -6.770 9.269 2.107 1.00 3.21 H new ATOM 0 HB3 ASP A 74 -5.694 8.250 3.043 1.00 3.21 H new ATOM 446 N GLN A 75 -4.646 12.001 3.373 1.00 45.24 N ATOM 447 CA GLN A 75 -3.411 12.629 2.916 1.00 31.12 C ATOM 448 C GLN A 75 -3.021 13.789 3.827 1.00 72.43 C ATOM 449 O GLN A 75 -1.927 13.808 4.390 1.00 72.32 O ATOM 450 CB GLN A 75 -3.568 13.125 1.478 1.00 63.33 C ATOM 451 CG GLN A 75 -2.284 13.682 0.883 1.00 34.11 C ATOM 452 CD GLN A 75 -1.673 12.760 -0.154 1.00 11.15 C ATOM 453 OE1 GLN A 75 -1.312 13.191 -1.249 1.00 54.30 O ATOM 454 NE2 GLN A 75 -1.553 11.482 0.187 1.00 1.35 N ATOM 0 H GLN A 75 -5.391 12.657 3.609 1.00 45.24 H new ATOM 0 HA GLN A 75 -2.618 11.881 2.950 1.00 31.12 H new ATOM 0 HB2 GLN A 75 -3.920 12.303 0.855 1.00 63.33 H new ATOM 0 HB3 GLN A 75 -4.336 13.898 1.451 1.00 63.33 H new ATOM 0 HG2 GLN A 75 -2.490 14.650 0.427 1.00 34.11 H new ATOM 0 HG3 GLN A 75 -1.562 13.853 1.682 1.00 34.11 H new ATOM 0 HE21 GLN A 75 -1.865 11.168 1.106 1.00 1.35 H new ATOM 0 HE22 GLN A 75 -1.148 10.815 -0.470 1.00 1.35 H new ATOM 463 N ALA A 76 -3.924 14.754 3.966 1.00 44.31 N ATOM 464 CA ALA A 76 -3.674 15.917 4.809 1.00 35.22 C ATOM 465 C ALA A 76 -3.697 15.538 6.286 1.00 10.53 C ATOM 466 O ALA A 76 -3.162 16.258 7.129 1.00 72.30 O ATOM 467 CB ALA A 76 -4.700 17.004 4.525 1.00 0.32 C ATOM 0 H ALA A 76 -4.834 14.754 3.506 1.00 44.31 H new ATOM 0 HA ALA A 76 -2.681 16.300 4.574 1.00 35.22 H new ATOM 0 HB1 ALA A 76 -4.502 17.867 5.161 1.00 0.32 H new ATOM 0 HB2 ALA A 76 -4.634 17.302 3.479 1.00 0.32 H new ATOM 0 HB3 ALA A 76 -5.700 16.623 4.731 1.00 0.32 H new ATOM 473 N ASN A 77 -4.320 14.405 6.593 1.00 53.33 N ATOM 474 CA ASN A 77 -4.414 13.932 7.969 1.00 5.31 C ATOM 475 C ASN A 77 -3.777 12.553 8.115 1.00 50.42 C ATOM 476 O ASN A 77 -3.821 11.948 9.185 1.00 12.23 O ATOM 477 CB ASN A 77 -5.876 13.881 8.415 1.00 73.23 C ATOM 478 CG ASN A 77 -6.647 15.123 8.013 1.00 52.40 C ATOM 479 OD1 ASN A 77 -6.062 16.179 7.770 1.00 20.10 O ATOM 480 ND2 ASN A 77 -7.968 15.003 7.942 1.00 63.03 N ATOM 0 H ASN A 77 -4.767 13.797 5.907 1.00 53.33 H new ATOM 0 HA ASN A 77 -3.872 14.632 8.605 1.00 5.31 H new ATOM 0 HB2 ASN A 77 -6.355 13.003 7.981 1.00 73.23 H new ATOM 0 HB3 ASN A 77 -5.919 13.765 9.498 1.00 73.23 H new ATOM 0 HD21 ASN A 77 -8.539 15.805 7.677 1.00 63.03 H new ATOM 0 HD22 ASN A 77 -8.411 14.108 8.152 1.00 63.03 H new ATOM 487 N ALA A 78 -3.185 12.064 7.030 1.00 30.54 N ATOM 488 CA ALA A 78 -2.537 10.758 7.038 1.00 71.22 C ATOM 489 C ALA A 78 -1.052 10.880 6.715 1.00 3.34 C ATOM 490 O ALA A 78 -0.243 10.059 7.146 1.00 73.22 O ATOM 491 CB ALA A 78 -3.219 9.825 6.048 1.00 22.21 C ATOM 0 H ALA A 78 -3.141 12.552 6.135 1.00 30.54 H new ATOM 0 HA ALA A 78 -2.631 10.339 8.040 1.00 71.22 H new ATOM 0 HB1 ALA A 78 -2.725 8.853 6.064 1.00 22.21 H new ATOM 0 HB2 ALA A 78 -4.267 9.704 6.324 1.00 22.21 H new ATOM 0 HB3 ALA A 78 -3.155 10.248 5.046 1.00 22.21 H new ATOM 497 N GLY A 79 -0.699 11.912 5.954 1.00 21.21 N ATOM 498 CA GLY A 79 0.689 12.122 5.586 1.00 21.13 C ATOM 499 C GLY A 79 0.836 12.780 4.229 1.00 70.24 C ATOM 500 O GLY A 79 0.982 12.098 3.215 1.00 64.23 O ATOM 0 H GLY A 79 -1.350 12.606 5.586 1.00 21.21 H new ATOM 0 HA2 GLY A 79 1.172 12.742 6.341 1.00 21.13 H new ATOM 0 HA3 GLY A 79 1.209 11.164 5.580 1.00 21.13 H new ATOM 504 N GLN A 80 0.795 14.108 4.209 1.00 42.11 N ATOM 505 CA GLN A 80 0.922 14.857 2.965 1.00 45.45 C ATOM 506 C GLN A 80 2.358 14.821 2.452 1.00 63.03 C ATOM 507 O GLN A 80 3.101 15.793 2.590 1.00 72.32 O ATOM 508 CB GLN A 80 0.478 16.307 3.170 1.00 62.35 C ATOM 509 CG GLN A 80 1.150 16.988 4.351 1.00 64.24 C ATOM 510 CD GLN A 80 0.248 17.075 5.565 1.00 33.45 C ATOM 511 OE1 GLN A 80 -0.895 17.733 5.409 1.00 75.13 O flip ATOM 512 NE2 GLN A 80 0.574 16.556 6.634 1.00 61.34 N flip ATOM 0 H GLN A 80 0.675 14.687 5.040 1.00 42.11 H new ATOM 0 HA GLN A 80 0.277 14.388 2.221 1.00 45.45 H new ATOM 0 HB2 GLN A 80 0.691 16.875 2.264 1.00 62.35 H new ATOM 0 HB3 GLN A 80 -0.602 16.331 3.314 1.00 62.35 H new ATOM 0 HG2 GLN A 80 2.055 16.441 4.614 1.00 64.24 H new ATOM 0 HG3 GLN A 80 1.458 17.992 4.059 1.00 64.24 H new ATOM 0 HE21 GLN A 80 1.462 16.059 6.710 1.00 61.34 H new ATOM 0 HE22 GLN A 80 -0.044 16.623 7.443 1.00 61.34 H new ATOM 521 N GLN A 81 2.742 13.694 1.860 1.00 11.23 N ATOM 522 CA GLN A 81 4.090 13.532 1.328 1.00 34.20 C ATOM 523 C GLN A 81 4.142 13.913 -0.148 1.00 13.23 C ATOM 524 O GLN A 81 5.219 14.092 -0.714 1.00 3.41 O ATOM 525 CB GLN A 81 4.563 12.089 1.511 1.00 34.31 C ATOM 526 CG GLN A 81 6.051 11.968 1.794 1.00 63.43 C ATOM 527 CD GLN A 81 6.871 11.779 0.533 1.00 43.13 C ATOM 528 OE1 GLN A 81 6.679 10.815 -0.208 1.00 60.43 O ATOM 529 NE2 GLN A 81 7.792 12.702 0.282 1.00 65.03 N ATOM 0 H GLN A 81 2.139 12.881 1.737 1.00 11.23 H new ATOM 0 HA GLN A 81 4.754 14.197 1.880 1.00 34.20 H new ATOM 0 HB2 GLN A 81 4.007 11.635 2.331 1.00 34.31 H new ATOM 0 HB3 GLN A 81 4.325 11.521 0.612 1.00 34.31 H new ATOM 0 HG2 GLN A 81 6.392 12.863 2.314 1.00 63.43 H new ATOM 0 HG3 GLN A 81 6.222 11.125 2.464 1.00 63.43 H new ATOM 0 HE21 GLN A 81 7.917 13.485 0.924 1.00 65.03 H new ATOM 0 HE22 GLN A 81 8.374 12.628 -0.552 1.00 65.03 H new ATOM 538 N GLU A 82 2.970 14.035 -0.764 1.00 62.12 N ATOM 539 CA GLU A 82 2.884 14.394 -2.175 1.00 32.21 C ATOM 540 C GLU A 82 2.925 15.909 -2.354 1.00 61.34 C ATOM 541 O GLU A 82 3.945 16.470 -2.757 1.00 35.24 O ATOM 542 CB GLU A 82 1.600 13.831 -2.789 1.00 44.34 C ATOM 543 CG GLU A 82 1.633 12.326 -2.994 1.00 55.01 C ATOM 544 CD GLU A 82 1.600 11.559 -1.687 1.00 20.43 C ATOM 545 OE1 GLU A 82 0.988 12.060 -0.720 1.00 75.25 O ATOM 546 OE2 GLU A 82 2.187 10.458 -1.629 1.00 72.14 O ATOM 0 H GLU A 82 2.069 13.891 -0.309 1.00 62.12 H new ATOM 0 HA GLU A 82 3.743 13.962 -2.687 1.00 32.21 H new ATOM 0 HB2 GLU A 82 0.758 14.083 -2.144 1.00 44.34 H new ATOM 0 HB3 GLU A 82 1.423 14.316 -3.749 1.00 44.34 H new ATOM 0 HG2 GLU A 82 0.783 12.028 -3.608 1.00 55.01 H new ATOM 0 HG3 GLU A 82 2.534 12.058 -3.546 1.00 55.01 H new ATOM 553 N PHE A 83 1.809 16.565 -2.054 1.00 23.22 N ATOM 554 CA PHE A 83 1.716 18.014 -2.183 1.00 44.41 C ATOM 555 C PHE A 83 1.908 18.694 -0.831 1.00 1.44 C ATOM 556 O PHE A 83 1.344 18.268 0.177 1.00 11.54 O ATOM 557 CB PHE A 83 0.363 18.409 -2.778 1.00 31.14 C ATOM 558 CG PHE A 83 -0.782 18.250 -1.819 1.00 13.02 C ATOM 559 CD1 PHE A 83 -1.125 19.276 -0.953 1.00 33.23 C ATOM 560 CD2 PHE A 83 -1.516 17.075 -1.784 1.00 10.31 C ATOM 561 CE1 PHE A 83 -2.178 19.132 -0.069 1.00 31.30 C ATOM 562 CE2 PHE A 83 -2.570 16.926 -0.902 1.00 72.45 C ATOM 563 CZ PHE A 83 -2.902 17.956 -0.045 1.00 32.24 C ATOM 0 H PHE A 83 0.956 16.116 -1.720 1.00 23.22 H new ATOM 0 HA PHE A 83 2.510 18.345 -2.852 1.00 44.41 H new ATOM 0 HB2 PHE A 83 0.409 19.447 -3.108 1.00 31.14 H new ATOM 0 HB3 PHE A 83 0.173 17.802 -3.663 1.00 31.14 H new ATOM 0 HD1 PHE A 83 -0.563 20.198 -0.969 1.00 33.23 H new ATOM 0 HD2 PHE A 83 -1.262 16.267 -2.453 1.00 10.31 H new ATOM 0 HE1 PHE A 83 -2.434 19.938 0.602 1.00 31.30 H new ATOM 0 HE2 PHE A 83 -3.133 16.005 -0.883 1.00 72.45 H new ATOM 0 HZ PHE A 83 -3.727 17.842 0.643 1.00 32.24 H new ATOM 573 N LYS A 84 2.709 19.754 -0.817 1.00 2.44 N ATOM 574 CA LYS A 84 2.977 20.496 0.410 1.00 33.32 C ATOM 575 C LYS A 84 2.541 21.951 0.272 1.00 3.04 C ATOM 576 O LYS A 84 3.198 22.858 0.786 1.00 21.54 O ATOM 577 CB LYS A 84 4.466 20.428 0.757 1.00 53.32 C ATOM 578 CG LYS A 84 5.368 21.004 -0.321 1.00 53.12 C ATOM 579 CD LYS A 84 6.807 20.548 -0.146 1.00 53.33 C ATOM 580 CE LYS A 84 7.722 21.182 -1.183 1.00 11.13 C ATOM 581 NZ LYS A 84 7.305 20.844 -2.572 1.00 13.33 N ATOM 0 H LYS A 84 3.184 20.119 -1.642 1.00 2.44 H new ATOM 0 HA LYS A 84 2.402 20.038 1.215 1.00 33.32 H new ATOM 0 HB2 LYS A 84 4.638 20.966 1.689 1.00 53.32 H new ATOM 0 HB3 LYS A 84 4.742 19.388 0.933 1.00 53.32 H new ATOM 0 HG2 LYS A 84 5.005 20.698 -1.302 1.00 53.12 H new ATOM 0 HG3 LYS A 84 5.324 22.093 -0.290 1.00 53.12 H new ATOM 0 HD2 LYS A 84 7.153 20.808 0.854 1.00 53.33 H new ATOM 0 HD3 LYS A 84 6.859 19.462 -0.229 1.00 53.33 H new ATOM 0 HE2 LYS A 84 7.719 22.265 -1.056 1.00 11.13 H new ATOM 0 HE3 LYS A 84 8.745 20.845 -1.019 1.00 11.13 H new ATOM 0 HZ1 LYS A 84 8.049 21.133 -3.238 1.00 13.33 H new ATOM 0 HZ2 LYS A 84 7.152 19.818 -2.649 1.00 13.33 H new ATOM 0 HZ3 LYS A 84 6.422 21.344 -2.801 1.00 13.33 H new ATOM 595 N LEU A 85 1.430 22.168 -0.423 1.00 1.05 N ATOM 596 CA LEU A 85 0.906 23.514 -0.626 1.00 72.04 C ATOM 597 C LEU A 85 -0.526 23.624 -0.112 1.00 3.55 C ATOM 598 O LEU A 85 -1.235 22.630 0.042 1.00 60.24 O ATOM 599 CB LEU A 85 0.956 23.883 -2.110 1.00 61.11 C ATOM 600 CG LEU A 85 -0.343 23.692 -2.894 1.00 11.44 C ATOM 601 CD1 LEU A 85 -0.170 24.149 -4.334 1.00 1.43 C ATOM 602 CD2 LEU A 85 -0.788 22.238 -2.843 1.00 62.04 C ATOM 0 H LEU A 85 0.875 21.430 -0.855 1.00 1.05 H new ATOM 0 HA LEU A 85 1.529 24.209 -0.063 1.00 72.04 H new ATOM 0 HB2 LEU A 85 1.257 24.927 -2.194 1.00 61.11 H new ATOM 0 HB3 LEU A 85 1.735 23.287 -2.586 1.00 61.11 H new ATOM 0 HG LEU A 85 -1.117 24.304 -2.431 1.00 11.44 H new ATOM 0 HD11 LEU A 85 -1.105 24.005 -4.876 1.00 1.43 H new ATOM 0 HD12 LEU A 85 0.101 25.205 -4.351 1.00 1.43 H new ATOM 0 HD13 LEU A 85 0.618 23.565 -4.809 1.00 1.43 H new ATOM 0 HD21 LEU A 85 -1.714 22.121 -3.406 1.00 62.04 H new ATOM 0 HD22 LEU A 85 -0.015 21.605 -3.280 1.00 62.04 H new ATOM 0 HD23 LEU A 85 -0.954 21.945 -1.806 1.00 62.04 H new ATOM 614 N PRO A 86 -0.963 24.863 0.161 1.00 71.05 N ATOM 615 CA PRO A 86 -2.315 25.133 0.659 1.00 3.45 C ATOM 616 C PRO A 86 -3.384 24.882 -0.398 1.00 51.41 C ATOM 617 O PRO A 86 -3.121 24.977 -1.597 1.00 42.21 O ATOM 618 CB PRO A 86 -2.266 26.618 1.029 1.00 40.11 C ATOM 619 CG PRO A 86 -1.191 27.187 0.168 1.00 14.44 C ATOM 620 CD PRO A 86 -0.172 26.095 0.001 1.00 20.35 C ATOM 0 HA PRO A 86 -2.581 24.481 1.491 1.00 3.45 H new ATOM 0 HB2 PRO A 86 -3.223 27.105 0.841 1.00 40.11 H new ATOM 0 HB3 PRO A 86 -2.041 26.755 2.087 1.00 40.11 H new ATOM 0 HG2 PRO A 86 -1.589 27.500 -0.797 1.00 14.44 H new ATOM 0 HG3 PRO A 86 -0.746 28.068 0.630 1.00 14.44 H new ATOM 0 HD2 PRO A 86 0.309 26.140 -0.976 1.00 20.35 H new ATOM 0 HD3 PRO A 86 0.618 26.165 0.748 1.00 20.35 H new ATOM 628 N LYS A 87 -4.592 24.562 0.053 1.00 11.10 N ATOM 629 CA LYS A 87 -5.703 24.299 -0.854 1.00 31.11 C ATOM 630 C LYS A 87 -6.376 25.599 -1.281 1.00 54.21 C ATOM 631 O LYS A 87 -7.373 25.585 -2.004 1.00 63.12 O ATOM 632 CB LYS A 87 -6.726 23.378 -0.186 1.00 34.31 C ATOM 633 CG LYS A 87 -7.764 24.119 0.640 1.00 60.43 C ATOM 634 CD LYS A 87 -7.115 24.963 1.723 1.00 1.51 C ATOM 635 CE LYS A 87 -8.112 25.340 2.808 1.00 22.05 C ATOM 636 NZ LYS A 87 -8.272 24.255 3.815 1.00 23.44 N ATOM 0 H LYS A 87 -4.827 24.478 1.042 1.00 11.10 H new ATOM 0 HA LYS A 87 -5.306 23.807 -1.742 1.00 31.11 H new ATOM 0 HB2 LYS A 87 -7.234 22.795 -0.954 1.00 34.31 H new ATOM 0 HB3 LYS A 87 -6.201 22.670 0.456 1.00 34.31 H new ATOM 0 HG2 LYS A 87 -8.361 24.757 -0.012 1.00 60.43 H new ATOM 0 HG3 LYS A 87 -8.447 23.402 1.096 1.00 60.43 H new ATOM 0 HD2 LYS A 87 -6.285 24.413 2.166 1.00 1.51 H new ATOM 0 HD3 LYS A 87 -6.698 25.868 1.280 1.00 1.51 H new ATOM 0 HE2 LYS A 87 -7.780 26.251 3.306 1.00 22.05 H new ATOM 0 HE3 LYS A 87 -9.078 25.559 2.353 1.00 22.05 H new ATOM 0 HZ1 LYS A 87 -8.959 24.550 4.537 1.00 23.44 H new ATOM 0 HZ2 LYS A 87 -8.613 23.392 3.345 1.00 23.44 H new ATOM 0 HZ3 LYS A 87 -7.355 24.063 4.267 1.00 23.44 H new ATOM 650 N ASP A 88 -5.826 26.721 -0.831 1.00 24.14 N ATOM 651 CA ASP A 88 -6.372 28.030 -1.169 1.00 3.24 C ATOM 652 C ASP A 88 -6.497 28.193 -2.680 1.00 75.12 C ATOM 653 O ASP A 88 -7.380 28.899 -3.168 1.00 13.02 O ATOM 654 CB ASP A 88 -5.487 29.139 -0.596 1.00 32.33 C ATOM 655 CG ASP A 88 -5.439 29.116 0.919 1.00 0.04 C ATOM 656 OD1 ASP A 88 -6.138 28.275 1.523 1.00 10.21 O ATOM 657 OD2 ASP A 88 -4.701 29.938 1.501 1.00 15.45 O ATOM 0 H ASP A 88 -5.002 26.750 -0.231 1.00 24.14 H new ATOM 0 HA ASP A 88 -7.367 28.106 -0.730 1.00 3.24 H new ATOM 0 HB2 ASP A 88 -4.476 29.034 -0.990 1.00 32.33 H new ATOM 0 HB3 ASP A 88 -5.860 30.107 -0.930 1.00 32.33 H new ATOM 662 N PHE A 89 -5.608 27.536 -3.417 1.00 21.31 N ATOM 663 CA PHE A 89 -5.618 27.609 -4.873 1.00 62.13 C ATOM 664 C PHE A 89 -6.930 27.071 -5.436 1.00 14.41 C ATOM 665 O PHE A 89 -7.340 27.431 -6.540 1.00 53.21 O ATOM 666 CB PHE A 89 -4.441 26.821 -5.453 1.00 0.32 C ATOM 667 CG PHE A 89 -4.553 26.576 -6.930 1.00 74.13 C ATOM 668 CD1 PHE A 89 -4.655 27.636 -7.816 1.00 42.43 C ATOM 669 CD2 PHE A 89 -4.557 25.285 -7.433 1.00 70.13 C ATOM 670 CE1 PHE A 89 -4.759 27.413 -9.176 1.00 52.22 C ATOM 671 CE2 PHE A 89 -4.661 25.056 -8.792 1.00 63.54 C ATOM 672 CZ PHE A 89 -4.761 26.121 -9.665 1.00 2.30 C ATOM 0 H PHE A 89 -4.871 26.947 -3.030 1.00 21.31 H new ATOM 0 HA PHE A 89 -5.522 28.656 -5.159 1.00 62.13 H new ATOM 0 HB2 PHE A 89 -3.517 27.363 -5.252 1.00 0.32 H new ATOM 0 HB3 PHE A 89 -4.367 25.863 -4.939 1.00 0.32 H new ATOM 0 HD1 PHE A 89 -4.653 28.648 -7.440 1.00 42.43 H new ATOM 0 HD2 PHE A 89 -4.478 24.448 -6.755 1.00 70.13 H new ATOM 0 HE1 PHE A 89 -4.839 28.248 -9.856 1.00 52.22 H new ATOM 0 HE2 PHE A 89 -4.664 24.045 -9.171 1.00 63.54 H new ATOM 0 HZ PHE A 89 -4.841 25.944 -10.727 1.00 2.30 H new ATOM 682 N THR A 90 -7.586 26.206 -4.669 1.00 12.25 N ATOM 683 CA THR A 90 -8.851 25.617 -5.090 1.00 20.04 C ATOM 684 C THR A 90 -10.031 26.480 -4.656 1.00 63.41 C ATOM 685 O THR A 90 -10.992 25.984 -4.070 1.00 54.13 O ATOM 686 CB THR A 90 -9.029 24.199 -4.516 1.00 25.43 C ATOM 687 OG1 THR A 90 -9.310 24.269 -3.114 1.00 11.15 O ATOM 688 CG2 THR A 90 -7.779 23.361 -4.746 1.00 13.52 C ATOM 0 H THR A 90 -7.262 25.898 -3.752 1.00 12.25 H new ATOM 0 HA THR A 90 -8.826 25.560 -6.178 1.00 20.04 H new ATOM 0 HB THR A 90 -9.865 23.726 -5.031 1.00 25.43 H new ATOM 0 HG1 THR A 90 -8.751 24.961 -2.702 1.00 11.15 H new ATOM 0 HG21 THR A 90 -7.928 22.364 -4.332 1.00 13.52 H new ATOM 0 HG22 THR A 90 -7.584 23.285 -5.816 1.00 13.52 H new ATOM 0 HG23 THR A 90 -6.928 23.834 -4.255 1.00 13.52 H new ATOM 696 N GLY A 91 -9.951 27.774 -4.949 1.00 4.23 N ATOM 697 CA GLY A 91 -11.019 28.685 -4.582 1.00 52.10 C ATOM 698 C GLY A 91 -11.483 29.535 -5.749 1.00 22.44 C ATOM 699 O GLY A 91 -12.101 30.582 -5.556 1.00 32.53 O ATOM 0 H GLY A 91 -9.166 28.208 -5.434 1.00 4.23 H new ATOM 0 HA2 GLY A 91 -11.863 28.114 -4.195 1.00 52.10 H new ATOM 0 HA3 GLY A 91 -10.677 29.335 -3.776 1.00 52.10 H new ATOM 703 N ARG A 92 -11.182 29.085 -6.963 1.00 34.35 N ATOM 704 CA ARG A 92 -11.570 29.813 -8.165 1.00 30.43 C ATOM 705 C ARG A 92 -12.551 28.997 -9.002 1.00 21.33 C ATOM 706 O ARG A 92 -13.255 29.538 -9.854 1.00 63.04 O ATOM 707 CB ARG A 92 -10.335 30.157 -8.999 1.00 23.22 C ATOM 708 CG ARG A 92 -10.664 30.724 -10.370 1.00 13.11 C ATOM 709 CD ARG A 92 -11.455 32.018 -10.262 1.00 13.32 C ATOM 710 NE ARG A 92 -11.699 32.622 -11.569 1.00 62.23 N ATOM 711 CZ ARG A 92 -10.797 33.345 -12.224 1.00 73.34 C ATOM 712 NH1 ARG A 92 -9.599 33.553 -11.697 1.00 21.32 N ATOM 713 NH2 ARG A 92 -11.094 33.861 -13.410 1.00 63.13 N ATOM 0 H ARG A 92 -10.671 28.220 -7.140 1.00 34.35 H new ATOM 0 HA ARG A 92 -12.061 30.736 -7.858 1.00 30.43 H new ATOM 0 HB2 ARG A 92 -9.728 30.879 -8.453 1.00 23.22 H new ATOM 0 HB3 ARG A 92 -9.729 29.259 -9.122 1.00 23.22 H new ATOM 0 HG2 ARG A 92 -9.741 30.905 -10.921 1.00 13.11 H new ATOM 0 HG3 ARG A 92 -11.237 29.992 -10.940 1.00 13.11 H new ATOM 0 HD2 ARG A 92 -12.408 31.820 -9.771 1.00 13.32 H new ATOM 0 HD3 ARG A 92 -10.912 32.723 -9.633 1.00 13.32 H new ATOM 0 HE ARG A 92 -12.611 32.481 -12.003 1.00 62.23 H new ATOM 0 HH11 ARG A 92 -9.367 33.158 -10.786 1.00 21.32 H new ATOM 0 HH12 ARG A 92 -8.909 34.109 -12.203 1.00 21.32 H new ATOM 0 HH21 ARG A 92 -12.015 33.703 -13.819 1.00 63.13 H new ATOM 0 HH22 ARG A 92 -10.401 34.416 -13.913 1.00 63.13 H new ATOM 727 N SER A 93 -12.591 27.692 -8.752 1.00 60.23 N ATOM 728 CA SER A 93 -13.482 26.800 -9.486 1.00 11.34 C ATOM 729 C SER A 93 -14.913 27.330 -9.472 1.00 4.42 C ATOM 730 O SER A 93 -15.260 28.194 -8.665 1.00 71.55 O ATOM 731 CB SER A 93 -13.441 25.395 -8.883 1.00 31.22 C ATOM 732 OG SER A 93 -12.139 24.843 -8.965 1.00 24.51 O ATOM 0 H SER A 93 -12.017 27.229 -8.047 1.00 60.23 H new ATOM 0 HA SER A 93 -13.140 26.754 -10.520 1.00 11.34 H new ATOM 0 HB2 SER A 93 -13.758 25.434 -7.841 1.00 31.22 H new ATOM 0 HB3 SER A 93 -14.146 24.750 -9.407 1.00 31.22 H new ATOM 0 HG SER A 93 -12.139 23.946 -8.571 1.00 24.51 H new ATOM 738 N LYS A 94 -15.739 26.807 -10.371 1.00 13.12 N ATOM 739 CA LYS A 94 -17.133 27.225 -10.464 1.00 32.34 C ATOM 740 C LYS A 94 -18.051 26.213 -9.785 1.00 23.41 C ATOM 741 O LYS A 94 -19.155 26.550 -9.356 1.00 64.11 O ATOM 742 CB LYS A 94 -17.540 27.395 -11.929 1.00 64.12 C ATOM 743 CG LYS A 94 -16.625 28.323 -12.710 1.00 72.31 C ATOM 744 CD LYS A 94 -17.326 29.621 -13.073 1.00 53.01 C ATOM 745 CE LYS A 94 -16.583 30.369 -14.169 1.00 63.53 C ATOM 746 NZ LYS A 94 -16.979 31.803 -14.230 1.00 75.42 N ATOM 0 H LYS A 94 -15.467 26.092 -11.046 1.00 13.12 H new ATOM 0 HA LYS A 94 -17.234 28.182 -9.952 1.00 32.34 H new ATOM 0 HB2 LYS A 94 -17.549 26.417 -12.411 1.00 64.12 H new ATOM 0 HB3 LYS A 94 -18.558 27.781 -11.972 1.00 64.12 H new ATOM 0 HG2 LYS A 94 -15.736 28.542 -12.118 1.00 72.31 H new ATOM 0 HG3 LYS A 94 -16.288 27.824 -13.619 1.00 72.31 H new ATOM 0 HD2 LYS A 94 -18.343 29.407 -13.402 1.00 53.01 H new ATOM 0 HD3 LYS A 94 -17.404 30.253 -12.188 1.00 53.01 H new ATOM 0 HE2 LYS A 94 -15.510 30.296 -13.995 1.00 63.53 H new ATOM 0 HE3 LYS A 94 -16.783 29.896 -15.131 1.00 63.53 H new ATOM 0 HZ1 LYS A 94 -16.450 32.277 -14.990 1.00 75.42 H new ATOM 0 HZ2 LYS A 94 -17.999 31.874 -14.422 1.00 75.42 H new ATOM 0 HZ3 LYS A 94 -16.765 32.261 -13.321 1.00 75.42 H new ATOM 760 N CYS A 95 -17.587 24.971 -9.689 1.00 43.23 N ATOM 761 CA CYS A 95 -18.364 23.910 -9.062 1.00 34.32 C ATOM 762 C CYS A 95 -18.364 24.060 -7.543 1.00 54.42 C ATOM 763 O CYS A 95 -17.633 23.363 -6.840 1.00 41.20 O ATOM 764 CB CYS A 95 -17.803 22.540 -9.449 1.00 52.24 C ATOM 765 SG CYS A 95 -18.724 21.134 -8.748 1.00 22.35 S ATOM 0 H CYS A 95 -16.675 24.675 -10.038 1.00 43.23 H new ATOM 0 HA CYS A 95 -19.391 23.989 -9.418 1.00 34.32 H new ATOM 0 HB2 CYS A 95 -17.801 22.454 -10.536 1.00 52.24 H new ATOM 0 HB3 CYS A 95 -16.765 22.479 -9.123 1.00 52.24 H new ATOM 770 N ARG A 96 -19.190 24.975 -7.045 1.00 21.00 N ATOM 771 CA ARG A 96 -19.285 25.218 -5.611 1.00 3.14 C ATOM 772 C ARG A 96 -19.752 23.965 -4.876 1.00 71.35 C ATOM 773 O ARG A 96 -19.753 22.869 -5.437 1.00 74.13 O ATOM 774 CB ARG A 96 -20.246 26.375 -5.330 1.00 71.42 C ATOM 775 CG ARG A 96 -21.692 26.064 -5.681 1.00 61.54 C ATOM 776 CD ARG A 96 -22.636 26.463 -4.558 1.00 72.33 C ATOM 777 NE ARG A 96 -23.243 27.770 -4.792 1.00 52.24 N ATOM 778 CZ ARG A 96 -24.059 28.367 -3.930 1.00 62.21 C ATOM 779 NH1 ARG A 96 -24.363 27.776 -2.783 1.00 1.13 N ATOM 780 NH2 ARG A 96 -24.572 29.557 -4.215 1.00 4.13 N ATOM 0 H ARG A 96 -19.803 25.560 -7.614 1.00 21.00 H new ATOM 0 HA ARG A 96 -18.292 25.483 -5.247 1.00 3.14 H new ATOM 0 HB2 ARG A 96 -20.186 26.638 -4.274 1.00 71.42 H new ATOM 0 HB3 ARG A 96 -19.924 27.249 -5.895 1.00 71.42 H new ATOM 0 HG2 ARG A 96 -21.967 26.592 -6.594 1.00 61.54 H new ATOM 0 HG3 ARG A 96 -21.797 24.998 -5.885 1.00 61.54 H new ATOM 0 HD2 ARG A 96 -23.420 25.712 -4.459 1.00 72.33 H new ATOM 0 HD3 ARG A 96 -22.090 26.480 -3.615 1.00 72.33 H new ATOM 0 HE ARG A 96 -23.029 28.251 -5.665 1.00 52.24 H new ATOM 0 HH11 ARG A 96 -23.970 26.861 -2.561 1.00 1.13 H new ATOM 0 HH12 ARG A 96 -24.990 28.236 -2.123 1.00 1.13 H new ATOM 0 HH21 ARG A 96 -24.340 30.014 -5.097 1.00 4.13 H new ATOM 0 HH22 ARG A 96 -25.198 30.014 -3.552 1.00 4.13 H new ATOM 794 N SER A 97 -20.148 24.134 -3.619 1.00 4.51 N ATOM 795 CA SER A 97 -20.613 23.017 -2.806 1.00 71.44 C ATOM 796 C SER A 97 -22.129 22.873 -2.898 1.00 32.23 C ATOM 797 O SER A 97 -22.871 23.509 -2.148 1.00 53.34 O ATOM 798 CB SER A 97 -20.195 23.210 -1.348 1.00 3.04 C ATOM 799 OG SER A 97 -20.364 24.558 -0.943 1.00 22.51 O ATOM 0 H SER A 97 -20.156 25.035 -3.141 1.00 4.51 H new ATOM 0 HA SER A 97 -20.155 22.105 -3.189 1.00 71.44 H new ATOM 0 HB2 SER A 97 -20.788 22.557 -0.707 1.00 3.04 H new ATOM 0 HB3 SER A 97 -19.152 22.918 -1.224 1.00 3.04 H new ATOM 0 HG SER A 97 -21.276 24.851 -1.152 1.00 22.51 H new ATOM 805 N LEU A 98 -22.583 22.032 -3.821 1.00 43.41 N ATOM 806 CA LEU A 98 -24.011 21.803 -4.012 1.00 43.41 C ATOM 807 C LEU A 98 -24.390 20.378 -3.624 1.00 73.25 C ATOM 808 O LEU A 98 -25.363 19.823 -4.134 1.00 12.33 O ATOM 809 CB LEU A 98 -24.400 22.069 -5.467 1.00 43.15 C ATOM 810 CG LEU A 98 -23.488 21.452 -6.529 1.00 53.31 C ATOM 811 CD1 LEU A 98 -22.240 22.300 -6.719 1.00 11.00 C ATOM 812 CD2 LEU A 98 -23.115 20.027 -6.148 1.00 44.14 C ATOM 0 H LEU A 98 -21.983 21.497 -4.449 1.00 43.41 H new ATOM 0 HA LEU A 98 -24.554 22.492 -3.366 1.00 43.41 H new ATOM 0 HB2 LEU A 98 -25.412 21.697 -5.625 1.00 43.15 H new ATOM 0 HB3 LEU A 98 -24.429 23.147 -5.623 1.00 43.15 H new ATOM 0 HG LEU A 98 -24.030 21.424 -7.474 1.00 53.31 H new ATOM 0 HD11 LEU A 98 -21.603 21.845 -7.478 1.00 11.00 H new ATOM 0 HD12 LEU A 98 -22.526 23.302 -7.038 1.00 11.00 H new ATOM 0 HD13 LEU A 98 -21.695 22.361 -5.777 1.00 11.00 H new ATOM 0 HD21 LEU A 98 -22.466 19.603 -6.915 1.00 44.14 H new ATOM 0 HD22 LEU A 98 -22.592 20.031 -5.192 1.00 44.14 H new ATOM 0 HD23 LEU A 98 -24.019 19.424 -6.065 1.00 44.14 H new ATOM 824 N GLY A 99 -23.616 19.790 -2.717 1.00 43.33 N ATOM 825 CA GLY A 99 -23.888 18.435 -2.275 1.00 11.30 C ATOM 826 C GLY A 99 -23.776 18.283 -0.771 1.00 32.20 C ATOM 827 O GLY A 99 -23.601 17.175 -0.264 1.00 74.40 O ATOM 0 H GLY A 99 -22.805 20.228 -2.280 1.00 43.33 H new ATOM 0 HA2 GLY A 99 -24.890 18.147 -2.593 1.00 11.30 H new ATOM 0 HA3 GLY A 99 -23.191 17.751 -2.759 1.00 11.30 H new ATOM 831 N ARG A 100 -23.875 19.398 -0.056 1.00 15.53 N ATOM 832 CA ARG A 100 -23.781 19.384 1.399 1.00 13.21 C ATOM 833 C ARG A 100 -25.139 19.668 2.035 1.00 73.14 C ATOM 834 O ARG A 100 -25.375 20.758 2.557 1.00 33.31 O ATOM 835 CB ARG A 100 -22.758 20.417 1.875 1.00 23.54 C ATOM 836 CG ARG A 100 -22.482 20.357 3.369 1.00 61.41 C ATOM 837 CD ARG A 100 -21.514 19.235 3.712 1.00 33.12 C ATOM 838 NE ARG A 100 -21.467 18.973 5.148 1.00 2.32 N ATOM 839 CZ ARG A 100 -20.506 18.269 5.736 1.00 43.15 C ATOM 840 NH1 ARG A 100 -19.517 17.759 5.014 1.00 54.24 N ATOM 841 NH2 ARG A 100 -20.532 18.074 7.048 1.00 43.32 N ATOM 0 H ARG A 100 -24.020 20.323 -0.460 1.00 15.53 H new ATOM 0 HA ARG A 100 -23.455 18.390 1.707 1.00 13.21 H new ATOM 0 HB2 ARG A 100 -21.823 20.266 1.335 1.00 23.54 H new ATOM 0 HB3 ARG A 100 -23.116 21.415 1.620 1.00 23.54 H new ATOM 0 HG2 ARG A 100 -22.070 21.309 3.703 1.00 61.41 H new ATOM 0 HG3 ARG A 100 -23.418 20.209 3.907 1.00 61.41 H new ATOM 0 HD2 ARG A 100 -21.811 18.327 3.187 1.00 33.12 H new ATOM 0 HD3 ARG A 100 -20.517 19.496 3.358 1.00 33.12 H new ATOM 0 HE ARG A 100 -22.213 19.351 5.732 1.00 2.32 H new ATOM 0 HH11 ARG A 100 -19.493 17.907 4.005 1.00 54.24 H new ATOM 0 HH12 ARG A 100 -18.780 17.219 5.468 1.00 54.24 H new ATOM 0 HH21 ARG A 100 -21.291 18.465 7.607 1.00 43.32 H new ATOM 0 HH22 ARG A 100 -19.793 17.533 7.498 1.00 43.32 H new ATOM 855 N ILE A 101 -26.028 18.681 1.985 1.00 5.04 N ATOM 856 CA ILE A 101 -27.361 18.825 2.557 1.00 62.35 C ATOM 857 C ILE A 101 -27.566 17.864 3.723 1.00 43.10 C ATOM 858 O ILE A 101 -28.593 17.192 3.815 1.00 22.51 O ATOM 859 CB ILE A 101 -28.455 18.575 1.502 1.00 60.31 C ATOM 860 CG1 ILE A 101 -28.256 17.208 0.844 1.00 74.25 C ATOM 861 CG2 ILE A 101 -28.445 19.679 0.456 1.00 44.13 C ATOM 862 CD1 ILE A 101 -27.345 17.245 -0.363 1.00 41.11 C ATOM 0 H ILE A 101 -25.849 17.774 1.555 1.00 5.04 H new ATOM 0 HA ILE A 101 -27.441 19.851 2.917 1.00 62.35 H new ATOM 0 HB ILE A 101 -29.426 18.581 1.998 1.00 60.31 H new ATOM 0 HG12 ILE A 101 -27.844 16.517 1.579 1.00 74.25 H new ATOM 0 HG13 ILE A 101 -29.227 16.813 0.544 1.00 74.25 H new ATOM 0 HG21 ILE A 101 -29.224 19.488 -0.282 1.00 44.13 H new ATOM 0 HG22 ILE A 101 -28.630 20.639 0.938 1.00 44.13 H new ATOM 0 HG23 ILE A 101 -27.474 19.703 -0.039 1.00 44.13 H new ATOM 0 HD11 ILE A 101 -27.250 16.242 -0.778 1.00 41.11 H new ATOM 0 HD12 ILE A 101 -27.766 17.911 -1.116 1.00 41.11 H new ATOM 0 HD13 ILE A 101 -26.362 17.609 -0.066 1.00 41.11 H new ATOM 874 N LYS A 102 -26.582 17.806 4.614 1.00 63.20 N ATOM 875 CA LYS A 102 -26.654 16.930 5.778 1.00 44.33 C ATOM 876 C LYS A 102 -27.618 17.488 6.820 1.00 45.52 C ATOM 877 O LYS A 102 -27.197 18.085 7.812 1.00 74.22 O ATOM 878 CB LYS A 102 -25.265 16.754 6.395 1.00 24.43 C ATOM 879 CG LYS A 102 -25.126 15.492 7.230 1.00 41.22 C ATOM 880 CD LYS A 102 -25.482 15.745 8.685 1.00 22.43 C ATOM 881 CE LYS A 102 -25.115 14.557 9.563 1.00 54.43 C ATOM 882 NZ LYS A 102 -26.017 14.440 10.742 1.00 75.23 N ATOM 0 H LYS A 102 -25.725 18.355 4.552 1.00 63.20 H new ATOM 0 HA LYS A 102 -27.025 15.959 5.449 1.00 44.33 H new ATOM 0 HB2 LYS A 102 -24.522 16.736 5.598 1.00 24.43 H new ATOM 0 HB3 LYS A 102 -25.042 17.619 7.019 1.00 24.43 H new ATOM 0 HG2 LYS A 102 -25.774 14.714 6.826 1.00 41.22 H new ATOM 0 HG3 LYS A 102 -24.103 15.121 7.164 1.00 41.22 H new ATOM 0 HD2 LYS A 102 -24.961 16.635 9.039 1.00 22.43 H new ATOM 0 HD3 LYS A 102 -26.550 15.946 8.770 1.00 22.43 H new ATOM 0 HE2 LYS A 102 -25.166 13.641 8.974 1.00 54.43 H new ATOM 0 HE3 LYS A 102 -24.085 14.661 9.903 1.00 54.43 H new ATOM 0 HZ1 LYS A 102 -25.735 13.619 11.315 1.00 75.23 H new ATOM 0 HZ2 LYS A 102 -25.950 15.304 11.318 1.00 75.23 H new ATOM 0 HZ3 LYS A 102 -26.997 14.315 10.418 1.00 75.23 H new TER 896 LYS A 102