USER MOD reduce.3.24.130724 H: found=0, std=0, add=887, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 885 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 105 ASN : amide:sc= -2.54! K(o=-3!,f=-2.4) USER MOD Set 1.2: A 106 GLN : amide:sc= -0.492 K(o=-3,f=-3.8) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 21:sc= 0.529 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 48:sc= 1.24 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -1.06 K(o=-1.1,f=-2.6!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.0087) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 ASN : amide:sc=-0.00606 X(o=-0.0061,f=0) USER MOD Single : A 31 SER OG : rot 71:sc= 0.649 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 150:sc= -3.21 (180deg=-4.24!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -150:sc= -0.0633 (180deg=-0.551) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -3.43! C(o=-3.4!,f=-3.6!) USER MOD Single : A 57 CYS SG : rot 180:sc= -3.81! USER MOD Single : A 63 MET CE :methyl -142:sc= -2.79! (180deg=-5.17!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.0781) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 100:sc= -0.577 USER MOD Single : A 80 MET CE :methyl -151:sc= -0.476 (180deg=-2.39!) USER MOD Single : A 86 SER OG : rot -78:sc= 0.672 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= -0.0714 X(o=-0.071,f=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.074 26.387 -8.429 1.00 0.00 N ATOM 2 CA GLY A 1 3.176 25.289 -8.745 1.00 0.00 C ATOM 3 C GLY A 1 1.829 25.463 -8.042 1.00 0.00 C ATOM 4 O GLY A 1 1.775 25.602 -6.821 1.00 0.00 O ATOM 0 H1 GLY A 1 4.981 26.246 -8.918 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.649 27.284 -8.740 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.236 26.419 -7.402 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.024 25.238 -9.823 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.629 24.345 -8.442 1.00 0.00 H new ATOM 8 N SER A 2 0.773 25.450 -8.843 1.00 0.00 N ATOM 9 CA SER A 2 -0.571 25.604 -8.313 1.00 0.00 C ATOM 10 C SER A 2 -1.563 24.808 -9.162 1.00 0.00 C ATOM 11 O SER A 2 -1.659 25.017 -10.370 1.00 0.00 O ATOM 12 CB SER A 2 -0.977 27.078 -8.264 1.00 0.00 C ATOM 13 OG SER A 2 -1.204 27.613 -9.565 1.00 0.00 O ATOM 0 H SER A 2 0.821 25.335 -9.855 1.00 0.00 H new ATOM 0 HA SER A 2 -0.584 25.217 -7.294 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.881 27.185 -7.665 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.196 27.653 -7.767 1.00 0.00 H new ATOM 0 HG SER A 2 -1.385 26.882 -10.192 1.00 0.00 H new ATOM 19 N SER A 3 -2.276 23.911 -8.497 1.00 0.00 N ATOM 20 CA SER A 3 -3.258 23.082 -9.175 1.00 0.00 C ATOM 21 C SER A 3 -2.552 22.067 -10.077 1.00 0.00 C ATOM 22 O SER A 3 -2.689 20.860 -9.885 1.00 0.00 O ATOM 23 CB SER A 3 -4.227 23.936 -9.995 1.00 0.00 C ATOM 24 OG SER A 3 -5.575 23.777 -9.562 1.00 0.00 O ATOM 0 H SER A 3 -2.193 23.740 -7.495 1.00 0.00 H new ATOM 0 HA SER A 3 -3.835 22.548 -8.420 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.942 24.985 -9.916 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.150 23.663 -11.047 1.00 0.00 H new ATOM 0 HG SER A 3 -6.163 24.339 -10.109 1.00 0.00 H new ATOM 30 N GLY A 4 -1.812 22.594 -11.042 1.00 0.00 N ATOM 31 CA GLY A 4 -1.085 21.749 -11.973 1.00 0.00 C ATOM 32 C GLY A 4 -1.488 22.053 -13.418 1.00 0.00 C ATOM 33 O GLY A 4 -2.258 22.978 -13.670 1.00 0.00 O ATOM 0 H GLY A 4 -1.701 23.596 -11.199 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.013 21.904 -11.850 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.283 20.701 -11.749 1.00 0.00 H new ATOM 37 N SER A 5 -0.948 21.256 -14.329 1.00 0.00 N ATOM 38 CA SER A 5 -1.242 21.427 -15.741 1.00 0.00 C ATOM 39 C SER A 5 -0.510 20.362 -16.561 1.00 0.00 C ATOM 40 O SER A 5 0.327 19.633 -16.031 1.00 0.00 O ATOM 41 CB SER A 5 -0.851 22.827 -16.219 1.00 0.00 C ATOM 42 OG SER A 5 -1.910 23.765 -16.050 1.00 0.00 O ATOM 0 H SER A 5 -0.309 20.490 -14.116 1.00 0.00 H new ATOM 0 HA SER A 5 -2.316 21.311 -15.883 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.025 23.167 -15.667 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.569 22.785 -17.271 1.00 0.00 H new ATOM 0 HG SER A 5 -2.275 23.686 -15.144 1.00 0.00 H new ATOM 48 N SER A 6 -0.853 20.307 -17.840 1.00 0.00 N ATOM 49 CA SER A 6 -0.239 19.344 -18.738 1.00 0.00 C ATOM 50 C SER A 6 1.285 19.461 -18.668 1.00 0.00 C ATOM 51 O SER A 6 1.839 20.539 -18.880 1.00 0.00 O ATOM 52 CB SER A 6 -0.721 19.545 -20.175 1.00 0.00 C ATOM 53 OG SER A 6 -1.010 18.308 -20.820 1.00 0.00 O ATOM 0 H SER A 6 -1.548 20.914 -18.275 1.00 0.00 H new ATOM 0 HA SER A 6 -0.535 18.344 -18.421 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.614 20.170 -20.174 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.041 20.080 -20.742 1.00 0.00 H new ATOM 0 HG SER A 6 -1.316 18.480 -21.735 1.00 0.00 H new ATOM 59 N GLY A 7 1.920 18.337 -18.370 1.00 0.00 N ATOM 60 CA GLY A 7 3.370 18.300 -18.270 1.00 0.00 C ATOM 61 C GLY A 7 3.969 17.370 -19.327 1.00 0.00 C ATOM 62 O GLY A 7 3.243 16.635 -19.996 1.00 0.00 O ATOM 0 H GLY A 7 1.457 17.445 -18.195 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.772 19.305 -18.395 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.661 17.961 -17.276 1.00 0.00 H new ATOM 66 N ASP A 8 5.287 17.432 -19.445 1.00 0.00 N ATOM 67 CA ASP A 8 5.992 16.604 -20.409 1.00 0.00 C ATOM 68 C ASP A 8 7.462 16.491 -19.999 1.00 0.00 C ATOM 69 O ASP A 8 8.000 15.389 -19.902 1.00 0.00 O ATOM 70 CB ASP A 8 5.937 17.221 -21.808 1.00 0.00 C ATOM 71 CG ASP A 8 5.050 16.477 -22.808 1.00 0.00 C ATOM 72 OD1 ASP A 8 5.547 15.481 -23.377 1.00 0.00 O ATOM 73 OD2 ASP A 8 3.894 16.921 -22.981 1.00 0.00 O ATOM 0 H ASP A 8 5.885 18.043 -18.889 1.00 0.00 H new ATOM 0 HA ASP A 8 5.513 15.625 -20.427 1.00 0.00 H new ATOM 0 HB2 ASP A 8 5.580 18.247 -21.722 1.00 0.00 H new ATOM 0 HB3 ASP A 8 6.950 17.268 -22.208 1.00 0.00 H new ATOM 78 N ASP A 9 8.070 17.646 -19.771 1.00 0.00 N ATOM 79 CA ASP A 9 9.467 17.691 -19.374 1.00 0.00 C ATOM 80 C ASP A 9 9.565 17.548 -17.854 1.00 0.00 C ATOM 81 O ASP A 9 8.670 17.977 -17.127 1.00 0.00 O ATOM 82 CB ASP A 9 10.108 19.023 -19.767 1.00 0.00 C ATOM 83 CG ASP A 9 11.317 18.909 -20.698 1.00 0.00 C ATOM 84 OD1 ASP A 9 11.634 17.761 -21.077 1.00 0.00 O ATOM 85 OD2 ASP A 9 11.895 19.972 -21.010 1.00 0.00 O ATOM 0 H ASP A 9 7.621 18.558 -19.854 1.00 0.00 H new ATOM 0 HA ASP A 9 9.988 16.878 -19.879 1.00 0.00 H new ATOM 0 HB2 ASP A 9 9.353 19.644 -20.250 1.00 0.00 H new ATOM 0 HB3 ASP A 9 10.415 19.543 -18.860 1.00 0.00 H new ATOM 90 N ASN A 10 10.661 16.944 -17.418 1.00 0.00 N ATOM 91 CA ASN A 10 10.889 16.740 -15.997 1.00 0.00 C ATOM 92 C ASN A 10 10.954 18.098 -15.295 1.00 0.00 C ATOM 93 O ASN A 10 10.534 18.227 -14.146 1.00 0.00 O ATOM 94 CB ASN A 10 12.214 16.016 -15.750 1.00 0.00 C ATOM 95 CG ASN A 10 13.389 16.816 -16.315 1.00 0.00 C ATOM 96 OD1 ASN A 10 13.829 17.804 -15.752 1.00 0.00 O ATOM 97 ND2 ASN A 10 13.871 16.334 -17.457 1.00 0.00 N ATOM 0 H ASN A 10 11.401 16.589 -18.024 1.00 0.00 H new ATOM 0 HA ASN A 10 10.070 16.136 -15.608 1.00 0.00 H new ATOM 0 HB2 ASN A 10 12.355 15.863 -14.680 1.00 0.00 H new ATOM 0 HB3 ASN A 10 12.185 15.029 -16.212 1.00 0.00 H new ATOM 0 HD21 ASN A 10 14.656 16.797 -17.915 1.00 0.00 H new ATOM 0 HD22 ASN A 10 13.455 15.502 -17.875 1.00 0.00 H new ATOM 104 N GLU A 11 11.483 19.076 -16.015 1.00 0.00 N ATOM 105 CA GLU A 11 11.608 20.419 -15.476 1.00 0.00 C ATOM 106 C GLU A 11 10.226 20.998 -15.167 1.00 0.00 C ATOM 107 O GLU A 11 10.082 21.822 -14.265 1.00 0.00 O ATOM 108 CB GLU A 11 12.381 21.326 -16.436 1.00 0.00 C ATOM 109 CG GLU A 11 13.742 21.709 -15.853 1.00 0.00 C ATOM 110 CD GLU A 11 13.588 22.738 -14.730 1.00 0.00 C ATOM 111 OE1 GLU A 11 13.318 23.910 -15.068 1.00 0.00 O ATOM 112 OE2 GLU A 11 13.743 22.327 -13.560 1.00 0.00 O ATOM 0 H GLU A 11 11.830 18.965 -16.968 1.00 0.00 H new ATOM 0 HA GLU A 11 12.174 20.365 -14.546 1.00 0.00 H new ATOM 0 HB2 GLU A 11 12.520 20.817 -17.390 1.00 0.00 H new ATOM 0 HB3 GLU A 11 11.801 22.227 -16.637 1.00 0.00 H new ATOM 0 HG2 GLU A 11 14.241 20.819 -15.470 1.00 0.00 H new ATOM 0 HG3 GLU A 11 14.377 22.116 -16.640 1.00 0.00 H new ATOM 119 N ARG A 12 9.245 20.544 -15.932 1.00 0.00 N ATOM 120 CA ARG A 12 7.880 21.006 -15.752 1.00 0.00 C ATOM 121 C ARG A 12 7.184 20.193 -14.658 1.00 0.00 C ATOM 122 O ARG A 12 6.465 20.748 -13.829 1.00 0.00 O ATOM 123 CB ARG A 12 7.081 20.888 -17.052 1.00 0.00 C ATOM 124 CG ARG A 12 7.575 21.896 -18.092 1.00 0.00 C ATOM 125 CD ARG A 12 6.685 21.880 -19.336 1.00 0.00 C ATOM 126 NE ARG A 12 7.511 22.057 -20.551 1.00 0.00 N ATOM 127 CZ ARG A 12 7.025 22.437 -21.741 1.00 0.00 C ATOM 128 NH1 ARG A 12 5.716 22.683 -21.882 1.00 0.00 N ATOM 129 NH2 ARG A 12 7.849 22.572 -22.789 1.00 0.00 N ATOM 0 H ARG A 12 9.369 19.860 -16.679 1.00 0.00 H new ATOM 0 HA ARG A 12 7.922 22.055 -15.459 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.172 19.877 -17.448 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.023 21.057 -16.850 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.583 22.896 -17.659 1.00 0.00 H new ATOM 0 HG3 ARG A 12 8.602 21.661 -18.372 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.140 20.938 -19.391 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.942 22.675 -19.272 1.00 0.00 H new ATOM 0 HE ARG A 12 8.513 21.879 -20.478 1.00 0.00 H new ATOM 0 HH11 ARG A 12 5.089 22.581 -21.084 1.00 0.00 H new ATOM 0 HH12 ARG A 12 5.346 22.972 -22.787 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.846 22.386 -22.681 1.00 0.00 H new ATOM 0 HH22 ARG A 12 7.479 22.861 -23.695 1.00 0.00 H new ATOM 143 N LEU A 13 7.422 18.890 -14.692 1.00 0.00 N ATOM 144 CA LEU A 13 6.828 17.995 -13.715 1.00 0.00 C ATOM 145 C LEU A 13 6.861 18.657 -12.336 1.00 0.00 C ATOM 146 O LEU A 13 7.917 18.748 -11.712 1.00 0.00 O ATOM 147 CB LEU A 13 7.511 16.626 -13.756 1.00 0.00 C ATOM 148 CG LEU A 13 7.236 15.776 -14.997 1.00 0.00 C ATOM 149 CD1 LEU A 13 7.220 14.286 -14.649 1.00 0.00 C ATOM 150 CD2 LEU A 13 5.943 16.217 -15.688 1.00 0.00 C ATOM 0 H LEU A 13 8.019 18.433 -15.382 1.00 0.00 H new ATOM 0 HA LEU A 13 5.781 17.810 -13.956 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.587 16.777 -13.675 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.201 16.061 -12.877 1.00 0.00 H new ATOM 0 HG LEU A 13 8.050 15.932 -15.705 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.022 13.704 -15.549 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.187 13.998 -14.236 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.439 14.093 -13.913 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.771 15.597 -16.567 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.106 16.109 -14.998 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.030 17.260 -15.991 1.00 0.00 H new ATOM 162 N SER A 14 5.692 19.104 -11.901 1.00 0.00 N ATOM 163 CA SER A 14 5.573 19.756 -10.608 1.00 0.00 C ATOM 164 C SER A 14 4.492 19.068 -9.772 1.00 0.00 C ATOM 165 O SER A 14 4.795 18.415 -8.775 1.00 0.00 O ATOM 166 CB SER A 14 5.254 21.244 -10.768 1.00 0.00 C ATOM 167 OG SER A 14 5.443 21.964 -9.553 1.00 0.00 O ATOM 0 H SER A 14 4.818 19.027 -12.422 1.00 0.00 H new ATOM 0 HA SER A 14 6.530 19.671 -10.093 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.890 21.670 -11.544 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.223 21.360 -11.101 1.00 0.00 H new ATOM 0 HG SER A 14 5.231 22.910 -9.697 1.00 0.00 H new ATOM 173 N LYS A 15 3.253 19.239 -10.210 1.00 0.00 N ATOM 174 CA LYS A 15 2.125 18.643 -9.514 1.00 0.00 C ATOM 175 C LYS A 15 2.032 17.160 -9.880 1.00 0.00 C ATOM 176 O LYS A 15 1.385 16.383 -9.179 1.00 0.00 O ATOM 177 CB LYS A 15 0.844 19.428 -9.800 1.00 0.00 C ATOM 178 CG LYS A 15 -0.379 18.713 -9.220 1.00 0.00 C ATOM 179 CD LYS A 15 -1.039 17.818 -10.270 1.00 0.00 C ATOM 180 CE LYS A 15 -2.556 17.774 -10.077 1.00 0.00 C ATOM 181 NZ LYS A 15 -3.064 16.397 -10.270 1.00 0.00 N ATOM 0 H LYS A 15 3.006 19.781 -11.038 1.00 0.00 H new ATOM 0 HA LYS A 15 2.271 18.697 -8.435 1.00 0.00 H new ATOM 0 HB2 LYS A 15 0.922 20.427 -9.372 1.00 0.00 H new ATOM 0 HB3 LYS A 15 0.721 19.551 -10.876 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -0.080 18.112 -8.361 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -1.098 19.449 -8.860 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -0.806 18.190 -11.268 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.631 16.810 -10.202 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.812 18.125 -9.077 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -3.038 18.448 -10.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -4.095 16.385 -10.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.837 16.075 -11.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.617 15.762 -9.578 1.00 0.00 H new ATOM 195 N VAL A 16 2.687 16.812 -10.978 1.00 0.00 N ATOM 196 CA VAL A 16 2.686 15.436 -11.446 1.00 0.00 C ATOM 197 C VAL A 16 3.847 14.680 -10.795 1.00 0.00 C ATOM 198 O VAL A 16 3.639 13.656 -10.146 1.00 0.00 O ATOM 199 CB VAL A 16 2.733 15.403 -12.975 1.00 0.00 C ATOM 200 CG1 VAL A 16 2.635 13.968 -13.495 1.00 0.00 C ATOM 201 CG2 VAL A 16 1.634 16.281 -13.576 1.00 0.00 C ATOM 0 H VAL A 16 3.222 17.459 -11.557 1.00 0.00 H new ATOM 0 HA VAL A 16 1.765 14.933 -11.152 1.00 0.00 H new ATOM 0 HB VAL A 16 3.695 15.808 -13.290 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.671 13.973 -14.584 1.00 0.00 H new ATOM 0 HG12 VAL A 16 3.469 13.383 -13.107 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.696 13.525 -13.165 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.690 16.240 -14.664 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.659 15.919 -13.249 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.769 17.311 -13.244 1.00 0.00 H new ATOM 211 N GLU A 17 5.043 15.214 -10.992 1.00 0.00 N ATOM 212 CA GLU A 17 6.237 14.603 -10.433 1.00 0.00 C ATOM 213 C GLU A 17 5.939 14.030 -9.045 1.00 0.00 C ATOM 214 O GLU A 17 6.353 12.915 -8.729 1.00 0.00 O ATOM 215 CB GLU A 17 7.391 15.605 -10.376 1.00 0.00 C ATOM 216 CG GLU A 17 8.578 15.123 -11.213 1.00 0.00 C ATOM 217 CD GLU A 17 9.661 14.508 -10.325 1.00 0.00 C ATOM 218 OE1 GLU A 17 10.131 15.231 -9.419 1.00 0.00 O ATOM 219 OE2 GLU A 17 9.996 13.330 -10.572 1.00 0.00 O ATOM 0 H GLU A 17 5.211 16.063 -11.531 1.00 0.00 H new ATOM 0 HA GLU A 17 6.542 13.785 -11.085 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.054 16.575 -10.742 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.704 15.746 -9.342 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.239 14.387 -11.942 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.995 15.959 -11.775 1.00 0.00 H new ATOM 226 N LYS A 18 5.225 14.818 -8.255 1.00 0.00 N ATOM 227 CA LYS A 18 4.868 14.403 -6.910 1.00 0.00 C ATOM 228 C LYS A 18 3.849 13.264 -6.985 1.00 0.00 C ATOM 229 O LYS A 18 4.029 12.223 -6.355 1.00 0.00 O ATOM 230 CB LYS A 18 4.390 15.602 -6.088 1.00 0.00 C ATOM 231 CG LYS A 18 5.457 16.039 -5.083 1.00 0.00 C ATOM 232 CD LYS A 18 5.046 15.677 -3.654 1.00 0.00 C ATOM 233 CE LYS A 18 4.873 14.165 -3.500 1.00 0.00 C ATOM 234 NZ LYS A 18 5.878 13.621 -2.559 1.00 0.00 N ATOM 0 H LYS A 18 4.884 15.742 -8.521 1.00 0.00 H new ATOM 0 HA LYS A 18 5.742 14.015 -6.387 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.151 16.431 -6.754 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.473 15.343 -5.560 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.406 15.561 -5.324 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.614 17.115 -5.159 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.801 16.034 -2.953 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.113 16.181 -3.401 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.869 13.943 -3.138 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.976 13.681 -4.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.746 12.594 -2.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.833 13.816 -2.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.761 14.070 -1.628 1.00 0.00 H new ATOM 248 N ALA A 19 2.802 13.500 -7.762 1.00 0.00 N ATOM 249 CA ALA A 19 1.755 12.507 -7.928 1.00 0.00 C ATOM 250 C ALA A 19 2.384 11.169 -8.324 1.00 0.00 C ATOM 251 O ALA A 19 2.103 10.141 -7.711 1.00 0.00 O ATOM 252 CB ALA A 19 0.740 13.002 -8.961 1.00 0.00 C ATOM 0 H ALA A 19 2.657 14.365 -8.283 1.00 0.00 H new ATOM 0 HA ALA A 19 1.219 12.355 -6.991 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.046 12.257 -9.085 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.300 13.939 -8.619 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.241 13.163 -9.915 1.00 0.00 H new ATOM 258 N ARG A 20 3.223 11.227 -9.348 1.00 0.00 N ATOM 259 CA ARG A 20 3.895 10.033 -9.833 1.00 0.00 C ATOM 260 C ARG A 20 4.637 9.340 -8.689 1.00 0.00 C ATOM 261 O ARG A 20 4.250 8.253 -8.262 1.00 0.00 O ATOM 262 CB ARG A 20 4.889 10.374 -10.945 1.00 0.00 C ATOM 263 CG ARG A 20 4.279 10.113 -12.324 1.00 0.00 C ATOM 264 CD ARG A 20 5.218 9.267 -13.187 1.00 0.00 C ATOM 265 NE ARG A 20 4.454 8.196 -13.865 1.00 0.00 N ATOM 266 CZ ARG A 20 3.531 8.415 -14.811 1.00 0.00 C ATOM 267 NH1 ARG A 20 3.251 9.667 -15.197 1.00 0.00 N ATOM 268 NH2 ARG A 20 2.887 7.382 -15.371 1.00 0.00 N ATOM 0 H ARG A 20 3.453 12.082 -9.855 1.00 0.00 H new ATOM 0 HA ARG A 20 3.134 9.364 -10.235 1.00 0.00 H new ATOM 0 HB2 ARG A 20 5.184 11.420 -10.866 1.00 0.00 H new ATOM 0 HB3 ARG A 20 5.794 9.778 -10.825 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.323 9.602 -12.212 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.077 11.061 -12.822 1.00 0.00 H new ATOM 0 HD2 ARG A 20 5.712 9.897 -13.927 1.00 0.00 H new ATOM 0 HD3 ARG A 20 6.001 8.830 -12.567 1.00 0.00 H new ATOM 0 HE ARG A 20 4.642 7.231 -13.595 1.00 0.00 H new ATOM 0 HH11 ARG A 20 3.741 10.454 -14.771 1.00 0.00 H new ATOM 0 HH12 ARG A 20 2.548 9.833 -15.917 1.00 0.00 H new ATOM 0 HH21 ARG A 20 3.099 6.429 -15.077 1.00 0.00 H new ATOM 0 HH22 ARG A 20 2.184 7.549 -16.091 1.00 0.00 H new ATOM 282 N GLN A 21 5.691 9.996 -8.226 1.00 0.00 N ATOM 283 CA GLN A 21 6.491 9.457 -7.140 1.00 0.00 C ATOM 284 C GLN A 21 5.588 8.832 -6.075 1.00 0.00 C ATOM 285 O GLN A 21 5.801 7.692 -5.666 1.00 0.00 O ATOM 286 CB GLN A 21 7.390 10.536 -6.533 1.00 0.00 C ATOM 287 CG GLN A 21 8.493 10.944 -7.512 1.00 0.00 C ATOM 288 CD GLN A 21 9.684 11.557 -6.771 1.00 0.00 C ATOM 289 OE1 GLN A 21 9.538 12.365 -5.869 1.00 0.00 O ATOM 290 NE2 GLN A 21 10.867 11.128 -7.201 1.00 0.00 N ATOM 0 H GLN A 21 6.009 10.897 -8.584 1.00 0.00 H new ATOM 0 HA GLN A 21 7.137 8.677 -7.543 1.00 0.00 H new ATOM 0 HB2 GLN A 21 6.791 11.408 -6.270 1.00 0.00 H new ATOM 0 HB3 GLN A 21 7.836 10.166 -5.610 1.00 0.00 H new ATOM 0 HG2 GLN A 21 8.822 10.073 -8.079 1.00 0.00 H new ATOM 0 HG3 GLN A 21 8.099 11.662 -8.231 1.00 0.00 H new ATOM 0 HE21 GLN A 21 10.918 10.450 -7.961 1.00 0.00 H new ATOM 0 HE22 GLN A 21 11.723 11.477 -6.771 1.00 0.00 H new ATOM 299 N LEU A 22 4.598 9.607 -5.656 1.00 0.00 N ATOM 300 CA LEU A 22 3.662 9.144 -4.646 1.00 0.00 C ATOM 301 C LEU A 22 3.090 7.790 -5.069 1.00 0.00 C ATOM 302 O LEU A 22 3.188 6.812 -4.330 1.00 0.00 O ATOM 303 CB LEU A 22 2.593 10.207 -4.379 1.00 0.00 C ATOM 304 CG LEU A 22 3.037 11.408 -3.542 1.00 0.00 C ATOM 305 CD1 LEU A 22 1.905 12.428 -3.404 1.00 0.00 C ATOM 306 CD2 LEU A 22 3.574 10.961 -2.181 1.00 0.00 C ATOM 0 H LEU A 22 4.424 10.552 -5.998 1.00 0.00 H new ATOM 0 HA LEU A 22 4.172 8.992 -3.695 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.225 10.573 -5.338 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.752 9.730 -3.876 1.00 0.00 H new ATOM 0 HG LEU A 22 3.856 11.903 -4.064 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.247 13.272 -2.805 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.610 12.781 -4.392 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.050 11.959 -2.916 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.882 11.835 -1.607 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.793 10.428 -1.639 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.430 10.302 -2.326 1.00 0.00 H new ATOM 318 N ARG A 23 2.504 7.776 -6.258 1.00 0.00 N ATOM 319 CA ARG A 23 1.916 6.558 -6.789 1.00 0.00 C ATOM 320 C ARG A 23 2.880 5.383 -6.610 1.00 0.00 C ATOM 321 O ARG A 23 2.449 4.246 -6.418 1.00 0.00 O ATOM 322 CB ARG A 23 1.578 6.711 -8.273 1.00 0.00 C ATOM 323 CG ARG A 23 0.360 7.615 -8.467 1.00 0.00 C ATOM 324 CD ARG A 23 -0.480 7.154 -9.660 1.00 0.00 C ATOM 325 NE ARG A 23 0.217 7.476 -10.925 1.00 0.00 N ATOM 326 CZ ARG A 23 -0.052 6.892 -12.101 1.00 0.00 C ATOM 327 NH1 ARG A 23 -1.005 5.953 -12.180 1.00 0.00 N ATOM 328 NH2 ARG A 23 0.631 7.247 -13.197 1.00 0.00 N ATOM 0 H ARG A 23 2.424 8.589 -6.868 1.00 0.00 H new ATOM 0 HA ARG A 23 0.996 6.365 -6.237 1.00 0.00 H new ATOM 0 HB2 ARG A 23 2.434 7.129 -8.803 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.381 5.731 -8.708 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.250 7.608 -7.564 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.687 8.643 -8.623 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.658 6.081 -9.597 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.455 7.641 -9.638 1.00 0.00 H new ATOM 0 HE ARG A 23 0.948 8.187 -10.900 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.525 5.683 -11.345 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -1.210 5.508 -13.075 1.00 0.00 H new ATOM 0 HH21 ARG A 23 1.356 7.962 -13.137 1.00 0.00 H new ATOM 0 HH22 ARG A 23 0.426 6.802 -14.092 1.00 0.00 H new ATOM 342 N GLU A 24 4.165 5.696 -6.681 1.00 0.00 N ATOM 343 CA GLU A 24 5.192 4.680 -6.529 1.00 0.00 C ATOM 344 C GLU A 24 5.340 4.289 -5.057 1.00 0.00 C ATOM 345 O GLU A 24 5.363 3.105 -4.725 1.00 0.00 O ATOM 346 CB GLU A 24 6.526 5.159 -7.106 1.00 0.00 C ATOM 347 CG GLU A 24 6.349 5.690 -8.530 1.00 0.00 C ATOM 348 CD GLU A 24 7.491 5.223 -9.435 1.00 0.00 C ATOM 349 OE1 GLU A 24 8.653 5.515 -9.079 1.00 0.00 O ATOM 350 OE2 GLU A 24 7.176 4.585 -10.462 1.00 0.00 O ATOM 0 H GLU A 24 4.519 6.639 -6.842 1.00 0.00 H new ATOM 0 HA GLU A 24 4.887 3.796 -7.090 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.941 5.942 -6.471 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.242 4.337 -7.107 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.397 5.347 -8.934 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.315 6.779 -8.514 1.00 0.00 H new ATOM 357 N GLN A 25 5.435 5.307 -4.215 1.00 0.00 N ATOM 358 CA GLN A 25 5.580 5.085 -2.786 1.00 0.00 C ATOM 359 C GLN A 25 4.398 4.272 -2.253 1.00 0.00 C ATOM 360 O GLN A 25 4.589 3.242 -1.609 1.00 0.00 O ATOM 361 CB GLN A 25 5.716 6.411 -2.036 1.00 0.00 C ATOM 362 CG GLN A 25 7.176 6.688 -1.671 1.00 0.00 C ATOM 363 CD GLN A 25 7.284 7.306 -0.275 1.00 0.00 C ATOM 364 OE1 GLN A 25 7.609 6.649 0.699 1.00 0.00 O ATOM 365 NE2 GLN A 25 6.995 8.604 -0.235 1.00 0.00 N ATOM 0 H GLN A 25 5.414 6.288 -4.494 1.00 0.00 H new ATOM 0 HA GLN A 25 6.494 4.515 -2.617 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.332 7.223 -2.653 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.110 6.384 -1.130 1.00 0.00 H new ATOM 0 HG2 GLN A 25 7.746 5.760 -1.707 1.00 0.00 H new ATOM 0 HG3 GLN A 25 7.617 7.361 -2.406 1.00 0.00 H new ATOM 0 HE21 GLN A 25 6.730 9.094 -1.089 1.00 0.00 H new ATOM 0 HE22 GLN A 25 7.039 9.109 0.650 1.00 0.00 H new ATOM 374 N VAL A 26 3.203 4.766 -2.542 1.00 0.00 N ATOM 375 CA VAL A 26 1.991 4.098 -2.100 1.00 0.00 C ATOM 376 C VAL A 26 2.018 2.641 -2.564 1.00 0.00 C ATOM 377 O VAL A 26 1.984 1.724 -1.745 1.00 0.00 O ATOM 378 CB VAL A 26 0.762 4.862 -2.597 1.00 0.00 C ATOM 379 CG1 VAL A 26 -0.521 4.074 -2.323 1.00 0.00 C ATOM 380 CG2 VAL A 26 0.693 6.257 -1.973 1.00 0.00 C ATOM 0 H VAL A 26 3.048 5.621 -3.077 1.00 0.00 H new ATOM 0 HA VAL A 26 1.934 4.090 -1.012 1.00 0.00 H new ATOM 0 HB VAL A 26 0.857 4.983 -3.676 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.380 4.639 -2.686 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.475 3.114 -2.837 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.623 3.907 -1.251 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.190 6.778 -2.343 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.633 6.168 -0.888 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.586 6.821 -2.242 1.00 0.00 H new ATOM 390 N ASN A 27 2.079 2.473 -3.877 1.00 0.00 N ATOM 391 CA ASN A 27 2.111 1.142 -4.460 1.00 0.00 C ATOM 392 C ASN A 27 3.040 0.250 -3.634 1.00 0.00 C ATOM 393 O ASN A 27 2.594 -0.720 -3.024 1.00 0.00 O ATOM 394 CB ASN A 27 2.645 1.182 -5.893 1.00 0.00 C ATOM 395 CG ASN A 27 2.948 -0.228 -6.405 1.00 0.00 C ATOM 396 OD1 ASN A 27 2.066 -1.047 -6.602 1.00 0.00 O ATOM 397 ND2 ASN A 27 4.241 -0.463 -6.608 1.00 0.00 N ATOM 0 H ASN A 27 2.107 3.236 -4.553 1.00 0.00 H new ATOM 0 HA ASN A 27 1.094 0.751 -4.465 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.913 1.660 -6.544 1.00 0.00 H new ATOM 0 HB3 ASN A 27 3.550 1.789 -5.931 1.00 0.00 H new ATOM 0 HD21 ASN A 27 4.546 -1.374 -6.949 1.00 0.00 H new ATOM 0 HD22 ASN A 27 4.928 0.268 -6.423 1.00 0.00 H new ATOM 404 N ASP A 28 4.315 0.611 -3.642 1.00 0.00 N ATOM 405 CA ASP A 28 5.311 -0.144 -2.901 1.00 0.00 C ATOM 406 C ASP A 28 4.854 -0.296 -1.449 1.00 0.00 C ATOM 407 O ASP A 28 4.825 -1.404 -0.916 1.00 0.00 O ATOM 408 CB ASP A 28 6.660 0.577 -2.899 1.00 0.00 C ATOM 409 CG ASP A 28 7.884 -0.341 -2.893 1.00 0.00 C ATOM 410 OD1 ASP A 28 8.199 -0.875 -3.979 1.00 0.00 O ATOM 411 OD2 ASP A 28 8.478 -0.489 -1.803 1.00 0.00 O ATOM 0 H ASP A 28 4.681 1.416 -4.150 1.00 0.00 H new ATOM 0 HA ASP A 28 5.423 -1.116 -3.381 1.00 0.00 H new ATOM 0 HB2 ASP A 28 6.712 1.221 -3.777 1.00 0.00 H new ATOM 0 HB3 ASP A 28 6.707 1.226 -2.024 1.00 0.00 H new ATOM 416 N LEU A 29 4.508 0.834 -0.850 1.00 0.00 N ATOM 417 CA LEU A 29 4.053 0.841 0.530 1.00 0.00 C ATOM 418 C LEU A 29 3.080 -0.319 0.748 1.00 0.00 C ATOM 419 O LEU A 29 3.385 -1.261 1.478 1.00 0.00 O ATOM 420 CB LEU A 29 3.471 2.208 0.896 1.00 0.00 C ATOM 421 CG LEU A 29 2.426 2.215 2.014 1.00 0.00 C ATOM 422 CD1 LEU A 29 3.063 1.870 3.361 1.00 0.00 C ATOM 423 CD2 LEU A 29 1.680 3.550 2.058 1.00 0.00 C ATOM 0 H LEU A 29 4.534 1.751 -1.295 1.00 0.00 H new ATOM 0 HA LEU A 29 4.892 0.686 1.208 1.00 0.00 H new ATOM 0 HB2 LEU A 29 4.291 2.863 1.188 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.021 2.640 0.002 1.00 0.00 H new ATOM 0 HG LEU A 29 1.689 1.441 1.798 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.299 1.882 4.138 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.511 0.878 3.308 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.833 2.604 3.598 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.943 3.529 2.861 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.390 4.358 2.238 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.175 3.716 1.106 1.00 0.00 H new ATOM 435 N PHE A 30 1.928 -0.213 0.101 1.00 0.00 N ATOM 436 CA PHE A 30 0.909 -1.242 0.215 1.00 0.00 C ATOM 437 C PHE A 30 1.503 -2.632 -0.023 1.00 0.00 C ATOM 438 O PHE A 30 1.108 -3.599 0.626 1.00 0.00 O ATOM 439 CB PHE A 30 -0.137 -0.956 -0.864 1.00 0.00 C ATOM 440 CG PHE A 30 -1.095 0.185 -0.516 1.00 0.00 C ATOM 441 CD1 PHE A 30 -1.609 0.282 0.740 1.00 0.00 C ATOM 442 CD2 PHE A 30 -1.433 1.102 -1.462 1.00 0.00 C ATOM 443 CE1 PHE A 30 -2.498 1.341 1.063 1.00 0.00 C ATOM 444 CE2 PHE A 30 -2.323 2.161 -1.138 1.00 0.00 C ATOM 445 CZ PHE A 30 -2.836 2.258 0.117 1.00 0.00 C ATOM 0 H PHE A 30 1.678 0.570 -0.504 1.00 0.00 H new ATOM 0 HA PHE A 30 0.477 -1.228 1.216 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.374 -0.716 -1.796 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.717 -1.862 -1.043 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.341 -0.446 1.491 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.025 1.025 -2.459 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.906 1.418 2.060 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.592 2.889 -1.889 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.512 3.063 0.363 1.00 0.00 H new ATOM 455 N SER A 31 2.443 -2.687 -0.955 1.00 0.00 N ATOM 456 CA SER A 31 3.096 -3.942 -1.287 1.00 0.00 C ATOM 457 C SER A 31 3.935 -4.424 -0.102 1.00 0.00 C ATOM 458 O SER A 31 3.853 -5.588 0.289 1.00 0.00 O ATOM 459 CB SER A 31 3.972 -3.795 -2.532 1.00 0.00 C ATOM 460 OG SER A 31 3.364 -2.963 -3.517 1.00 0.00 O ATOM 0 H SER A 31 2.768 -1.882 -1.491 1.00 0.00 H new ATOM 0 HA SER A 31 2.325 -4.682 -1.504 1.00 0.00 H new ATOM 0 HB2 SER A 31 4.937 -3.375 -2.249 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.165 -4.780 -2.958 1.00 0.00 H new ATOM 0 HG SER A 31 3.372 -2.033 -3.209 1.00 0.00 H new ATOM 466 N ARG A 32 4.722 -3.506 0.438 1.00 0.00 N ATOM 467 CA ARG A 32 5.575 -3.823 1.571 1.00 0.00 C ATOM 468 C ARG A 32 4.734 -4.335 2.742 1.00 0.00 C ATOM 469 O ARG A 32 4.930 -5.457 3.207 1.00 0.00 O ATOM 470 CB ARG A 32 6.371 -2.596 2.022 1.00 0.00 C ATOM 471 CG ARG A 32 7.874 -2.828 1.860 1.00 0.00 C ATOM 472 CD ARG A 32 8.662 -2.097 2.949 1.00 0.00 C ATOM 473 NE ARG A 32 10.114 -2.211 2.686 1.00 0.00 N ATOM 474 CZ ARG A 32 10.768 -1.502 1.756 1.00 0.00 C ATOM 475 NH1 ARG A 32 10.103 -0.623 0.994 1.00 0.00 N ATOM 476 NH2 ARG A 32 12.086 -1.672 1.587 1.00 0.00 N ATOM 0 H ARG A 32 4.787 -2.542 0.112 1.00 0.00 H new ATOM 0 HA ARG A 32 6.273 -4.598 1.254 1.00 0.00 H new ATOM 0 HB2 ARG A 32 6.068 -1.727 1.438 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.144 -2.374 3.065 1.00 0.00 H new ATOM 0 HG2 ARG A 32 8.088 -3.896 1.906 1.00 0.00 H new ATOM 0 HG3 ARG A 32 8.196 -2.481 0.878 1.00 0.00 H new ATOM 0 HD2 ARG A 32 8.371 -1.047 2.978 1.00 0.00 H new ATOM 0 HD3 ARG A 32 8.427 -2.520 3.926 1.00 0.00 H new ATOM 0 HE ARG A 32 10.651 -2.871 3.248 1.00 0.00 H new ATOM 0 HH11 ARG A 32 9.099 -0.494 1.122 1.00 0.00 H new ATOM 0 HH12 ARG A 32 10.600 -0.083 0.286 1.00 0.00 H new ATOM 0 HH21 ARG A 32 12.592 -2.342 2.166 1.00 0.00 H new ATOM 0 HH22 ARG A 32 12.583 -1.132 0.879 1.00 0.00 H new ATOM 490 N LYS A 33 3.816 -3.489 3.184 1.00 0.00 N ATOM 491 CA LYS A 33 2.944 -3.842 4.291 1.00 0.00 C ATOM 492 C LYS A 33 2.325 -5.217 4.029 1.00 0.00 C ATOM 493 O LYS A 33 2.437 -6.120 4.856 1.00 0.00 O ATOM 494 CB LYS A 33 1.912 -2.739 4.534 1.00 0.00 C ATOM 495 CG LYS A 33 2.593 -1.435 4.955 1.00 0.00 C ATOM 496 CD LYS A 33 3.015 -1.485 6.425 1.00 0.00 C ATOM 497 CE LYS A 33 4.096 -0.444 6.721 1.00 0.00 C ATOM 498 NZ LYS A 33 4.400 -0.410 8.169 1.00 0.00 N ATOM 0 H LYS A 33 3.657 -2.559 2.795 1.00 0.00 H new ATOM 0 HA LYS A 33 3.516 -3.920 5.216 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.331 -2.574 3.627 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.212 -3.055 5.308 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.467 -1.258 4.328 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.913 -0.598 4.797 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.149 -1.306 7.062 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.388 -2.480 6.666 1.00 0.00 H new ATOM 0 HE2 LYS A 33 5.000 -0.680 6.159 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.762 0.540 6.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.136 0.302 8.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.540 -0.163 8.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.739 -1.345 8.475 1.00 0.00 H new ATOM 512 N PHE A 34 1.684 -5.331 2.875 1.00 0.00 N ATOM 513 CA PHE A 34 1.047 -6.580 2.493 1.00 0.00 C ATOM 514 C PHE A 34 1.953 -7.774 2.800 1.00 0.00 C ATOM 515 O PHE A 34 1.510 -8.756 3.394 1.00 0.00 O ATOM 516 CB PHE A 34 0.803 -6.515 0.984 1.00 0.00 C ATOM 517 CG PHE A 34 0.201 -7.792 0.395 1.00 0.00 C ATOM 518 CD1 PHE A 34 -0.964 -8.287 0.894 1.00 0.00 C ATOM 519 CD2 PHE A 34 0.829 -8.432 -0.627 1.00 0.00 C ATOM 520 CE1 PHE A 34 -1.523 -9.472 0.348 1.00 0.00 C ATOM 521 CE2 PHE A 34 0.270 -9.617 -1.173 1.00 0.00 C ATOM 522 CZ PHE A 34 -0.894 -10.112 -0.674 1.00 0.00 C ATOM 0 H PHE A 34 1.592 -4.579 2.192 1.00 0.00 H new ATOM 0 HA PHE A 34 0.119 -6.710 3.050 1.00 0.00 H new ATOM 0 HB2 PHE A 34 0.137 -5.679 0.770 1.00 0.00 H new ATOM 0 HB3 PHE A 34 1.748 -6.306 0.482 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -1.463 -7.778 1.705 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.753 -8.039 -1.023 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -2.448 -9.865 0.744 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.769 -10.125 -1.985 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.319 -11.014 -1.089 1.00 0.00 H new ATOM 532 N GLY A 35 3.204 -7.650 2.383 1.00 0.00 N ATOM 533 CA GLY A 35 4.175 -8.707 2.606 1.00 0.00 C ATOM 534 C GLY A 35 4.048 -9.279 4.019 1.00 0.00 C ATOM 535 O GLY A 35 4.290 -10.465 4.236 1.00 0.00 O ATOM 0 H GLY A 35 3.568 -6.833 1.892 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.028 -9.501 1.874 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.182 -8.318 2.456 1.00 0.00 H new ATOM 539 N GLU A 36 3.669 -8.409 4.943 1.00 0.00 N ATOM 540 CA GLU A 36 3.507 -8.813 6.330 1.00 0.00 C ATOM 541 C GLU A 36 2.354 -9.809 6.461 1.00 0.00 C ATOM 542 O GLU A 36 2.481 -10.825 7.143 1.00 0.00 O ATOM 543 CB GLU A 36 3.287 -7.597 7.233 1.00 0.00 C ATOM 544 CG GLU A 36 4.375 -6.545 7.011 1.00 0.00 C ATOM 545 CD GLU A 36 5.638 -6.887 7.804 1.00 0.00 C ATOM 546 OE1 GLU A 36 5.855 -8.096 8.033 1.00 0.00 O ATOM 547 OE2 GLU A 36 6.359 -5.930 8.164 1.00 0.00 O ATOM 0 H GLU A 36 3.469 -7.426 4.759 1.00 0.00 H new ATOM 0 HA GLU A 36 4.424 -9.304 6.655 1.00 0.00 H new ATOM 0 HB2 GLU A 36 2.308 -7.162 7.031 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.287 -7.910 8.277 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.614 -6.482 5.949 1.00 0.00 H new ATOM 0 HG3 GLU A 36 4.006 -5.565 7.313 1.00 0.00 H new ATOM 554 N ALA A 37 1.255 -9.484 5.797 1.00 0.00 N ATOM 555 CA ALA A 37 0.080 -10.338 5.830 1.00 0.00 C ATOM 556 C ALA A 37 0.437 -11.713 5.262 1.00 0.00 C ATOM 557 O ALA A 37 -0.313 -12.673 5.430 1.00 0.00 O ATOM 558 CB ALA A 37 -1.061 -9.669 5.061 1.00 0.00 C ATOM 0 H ALA A 37 1.153 -8.641 5.233 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.259 -10.483 6.856 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.942 -10.310 5.086 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.297 -8.710 5.522 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -0.758 -9.510 4.026 1.00 0.00 H new ATOM 564 N ILE A 38 1.584 -11.765 4.601 1.00 0.00 N ATOM 565 CA ILE A 38 2.051 -13.006 4.007 1.00 0.00 C ATOM 566 C ILE A 38 3.404 -13.381 4.615 1.00 0.00 C ATOM 567 O ILE A 38 4.089 -14.271 4.114 1.00 0.00 O ATOM 568 CB ILE A 38 2.072 -12.895 2.481 1.00 0.00 C ATOM 569 CG1 ILE A 38 2.579 -11.521 2.038 1.00 0.00 C ATOM 570 CG2 ILE A 38 0.699 -13.218 1.889 1.00 0.00 C ATOM 571 CD1 ILE A 38 2.430 -11.343 0.526 1.00 0.00 C ATOM 0 H ILE A 38 2.204 -10.967 4.464 1.00 0.00 H new ATOM 0 HA ILE A 38 1.363 -13.820 4.235 1.00 0.00 H new ATOM 0 HB ILE A 38 2.772 -13.636 2.094 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.023 -10.740 2.556 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.626 -11.408 2.320 1.00 0.00 H new ATOM 0 HG21 ILE A 38 0.741 -13.132 0.803 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.415 -14.235 2.161 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.040 -12.518 2.280 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.798 -10.358 0.238 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.007 -12.111 0.011 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.379 -11.433 0.251 1.00 0.00 H new ATOM 583 N GLY A 39 3.748 -12.683 5.688 1.00 0.00 N ATOM 584 CA GLY A 39 5.007 -12.931 6.370 1.00 0.00 C ATOM 585 C GLY A 39 6.176 -12.926 5.382 1.00 0.00 C ATOM 586 O GLY A 39 7.239 -13.473 5.671 1.00 0.00 O ATOM 0 H GLY A 39 3.177 -11.946 6.102 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.168 -12.169 7.133 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.964 -13.892 6.883 1.00 0.00 H new ATOM 590 N MET A 40 5.939 -12.302 4.238 1.00 0.00 N ATOM 591 CA MET A 40 6.959 -12.219 3.206 1.00 0.00 C ATOM 592 C MET A 40 8.033 -11.194 3.578 1.00 0.00 C ATOM 593 O MET A 40 7.740 -10.189 4.223 1.00 0.00 O ATOM 594 CB MET A 40 6.312 -11.820 1.879 1.00 0.00 C ATOM 595 CG MET A 40 5.356 -12.908 1.386 1.00 0.00 C ATOM 596 SD MET A 40 6.284 -14.273 0.705 1.00 0.00 S ATOM 597 CE MET A 40 5.592 -14.328 -0.940 1.00 0.00 C ATOM 0 H MET A 40 5.056 -11.849 4.003 1.00 0.00 H new ATOM 0 HA MET A 40 7.432 -13.196 3.110 1.00 0.00 H new ATOM 0 HB2 MET A 40 5.769 -10.883 2.002 1.00 0.00 H new ATOM 0 HB3 MET A 40 7.086 -11.645 1.131 1.00 0.00 H new ATOM 0 HG2 MET A 40 4.732 -13.256 2.209 1.00 0.00 H new ATOM 0 HG3 MET A 40 4.686 -12.500 0.629 1.00 0.00 H new ATOM 0 HE1 MET A 40 6.343 -14.698 -1.638 1.00 0.00 H new ATOM 0 HE2 MET A 40 4.728 -14.993 -0.949 1.00 0.00 H new ATOM 0 HE3 MET A 40 5.282 -13.326 -1.238 1.00 0.00 H new ATOM 607 N GLY A 41 9.255 -11.485 3.156 1.00 0.00 N ATOM 608 CA GLY A 41 10.374 -10.602 3.437 1.00 0.00 C ATOM 609 C GLY A 41 10.580 -9.600 2.300 1.00 0.00 C ATOM 610 O GLY A 41 11.684 -9.093 2.106 1.00 0.00 O ATOM 0 H GLY A 41 9.495 -12.320 2.622 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.195 -10.067 4.370 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.281 -11.191 3.576 1.00 0.00 H new ATOM 614 N PHE A 42 9.500 -9.343 1.577 1.00 0.00 N ATOM 615 CA PHE A 42 9.549 -8.410 0.464 1.00 0.00 C ATOM 616 C PHE A 42 8.144 -7.941 0.080 1.00 0.00 C ATOM 617 O PHE A 42 7.152 -8.559 0.464 1.00 0.00 O ATOM 618 CB PHE A 42 10.165 -9.158 -0.720 1.00 0.00 C ATOM 619 CG PHE A 42 9.647 -10.587 -0.891 1.00 0.00 C ATOM 620 CD1 PHE A 42 8.322 -10.809 -1.107 1.00 0.00 C ATOM 621 CD2 PHE A 42 10.510 -11.636 -0.826 1.00 0.00 C ATOM 622 CE1 PHE A 42 7.841 -12.136 -1.266 1.00 0.00 C ATOM 623 CE2 PHE A 42 10.029 -12.963 -0.985 1.00 0.00 C ATOM 624 CZ PHE A 42 8.705 -13.185 -1.202 1.00 0.00 C ATOM 0 H PHE A 42 8.586 -9.765 1.740 1.00 0.00 H new ATOM 0 HA PHE A 42 10.134 -7.532 0.740 1.00 0.00 H new ATOM 0 HB2 PHE A 42 9.965 -8.598 -1.634 1.00 0.00 H new ATOM 0 HB3 PHE A 42 11.247 -9.187 -0.595 1.00 0.00 H new ATOM 0 HD1 PHE A 42 7.636 -9.976 -1.158 1.00 0.00 H new ATOM 0 HD2 PHE A 42 11.561 -11.460 -0.653 1.00 0.00 H new ATOM 0 HE1 PHE A 42 6.789 -12.312 -1.438 1.00 0.00 H new ATOM 0 HE2 PHE A 42 10.715 -13.796 -0.934 1.00 0.00 H new ATOM 0 HZ PHE A 42 8.339 -14.194 -1.324 1.00 0.00 H new ATOM 634 N PRO A 43 8.103 -6.823 -0.693 1.00 0.00 N ATOM 635 CA PRO A 43 6.836 -6.263 -1.133 1.00 0.00 C ATOM 636 C PRO A 43 6.226 -7.104 -2.256 1.00 0.00 C ATOM 637 O PRO A 43 6.856 -7.315 -3.291 1.00 0.00 O ATOM 638 CB PRO A 43 7.162 -4.843 -1.565 1.00 0.00 C ATOM 639 CG PRO A 43 8.665 -4.810 -1.789 1.00 0.00 C ATOM 640 CD PRO A 43 9.257 -6.064 -1.167 1.00 0.00 C ATOM 0 HA PRO A 43 6.081 -6.262 -0.347 1.00 0.00 H new ATOM 0 HB2 PRO A 43 6.625 -4.579 -2.476 1.00 0.00 H new ATOM 0 HB3 PRO A 43 6.865 -4.124 -0.801 1.00 0.00 H new ATOM 0 HG2 PRO A 43 8.891 -4.769 -2.854 1.00 0.00 H new ATOM 0 HG3 PRO A 43 9.099 -3.918 -1.337 1.00 0.00 H new ATOM 0 HD2 PRO A 43 9.833 -6.634 -1.896 1.00 0.00 H new ATOM 0 HD3 PRO A 43 9.933 -5.819 -0.348 1.00 0.00 H new ATOM 648 N VAL A 44 5.006 -7.562 -2.014 1.00 0.00 N ATOM 649 CA VAL A 44 4.304 -8.375 -2.992 1.00 0.00 C ATOM 650 C VAL A 44 3.158 -7.562 -3.597 1.00 0.00 C ATOM 651 O VAL A 44 2.763 -6.535 -3.047 1.00 0.00 O ATOM 652 CB VAL A 44 3.835 -9.681 -2.347 1.00 0.00 C ATOM 653 CG1 VAL A 44 3.295 -10.650 -3.401 1.00 0.00 C ATOM 654 CG2 VAL A 44 4.959 -10.326 -1.534 1.00 0.00 C ATOM 0 H VAL A 44 4.486 -7.385 -1.154 1.00 0.00 H new ATOM 0 HA VAL A 44 4.972 -8.652 -3.808 1.00 0.00 H new ATOM 0 HB VAL A 44 3.021 -9.443 -1.662 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.968 -11.570 -2.916 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.451 -10.193 -3.917 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.080 -10.879 -4.121 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.599 -11.252 -1.086 1.00 0.00 H new ATOM 0 HG22 VAL A 44 5.803 -10.543 -2.189 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.277 -9.642 -0.747 1.00 0.00 H new ATOM 664 N LYS A 45 2.657 -8.051 -4.722 1.00 0.00 N ATOM 665 CA LYS A 45 1.564 -7.382 -5.407 1.00 0.00 C ATOM 666 C LYS A 45 0.366 -7.273 -4.463 1.00 0.00 C ATOM 667 O LYS A 45 0.152 -8.146 -3.623 1.00 0.00 O ATOM 668 CB LYS A 45 1.246 -8.090 -6.726 1.00 0.00 C ATOM 669 CG LYS A 45 2.335 -7.825 -7.768 1.00 0.00 C ATOM 670 CD LYS A 45 3.330 -8.986 -7.827 1.00 0.00 C ATOM 671 CE LYS A 45 3.605 -9.399 -9.275 1.00 0.00 C ATOM 672 NZ LYS A 45 5.054 -9.327 -9.568 1.00 0.00 N ATOM 0 H LYS A 45 2.988 -8.902 -5.176 1.00 0.00 H new ATOM 0 HA LYS A 45 1.849 -6.365 -5.678 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.155 -9.163 -6.554 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.284 -7.745 -7.105 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.879 -7.682 -8.748 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.861 -6.902 -7.523 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.263 -8.695 -7.345 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.935 -9.837 -7.271 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.243 -10.413 -9.445 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.057 -8.747 -9.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.223 -9.610 -10.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.389 -8.353 -9.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.569 -9.967 -8.931 1.00 0.00 H new ATOM 686 N VAL A 46 -0.384 -6.194 -4.632 1.00 0.00 N ATOM 687 CA VAL A 46 -1.555 -5.959 -3.805 1.00 0.00 C ATOM 688 C VAL A 46 -2.817 -6.179 -4.641 1.00 0.00 C ATOM 689 O VAL A 46 -3.036 -5.487 -5.635 1.00 0.00 O ATOM 690 CB VAL A 46 -1.485 -4.564 -3.182 1.00 0.00 C ATOM 691 CG1 VAL A 46 -2.800 -4.208 -2.484 1.00 0.00 C ATOM 692 CG2 VAL A 46 -0.304 -4.452 -2.216 1.00 0.00 C ATOM 0 H VAL A 46 -0.203 -5.472 -5.330 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.586 -6.668 -2.977 1.00 0.00 H new ATOM 0 HB VAL A 46 -1.328 -3.846 -3.987 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.723 -3.211 -2.050 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.613 -4.226 -3.209 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.001 -4.933 -1.695 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.278 -3.450 -1.788 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.416 -5.185 -1.417 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.625 -4.641 -2.754 1.00 0.00 H new ATOM 702 N PRO A 47 -3.636 -7.169 -4.197 1.00 0.00 N ATOM 703 CA PRO A 47 -4.871 -7.488 -4.894 1.00 0.00 C ATOM 704 C PRO A 47 -5.943 -6.432 -4.621 1.00 0.00 C ATOM 705 O PRO A 47 -7.004 -6.744 -4.083 1.00 0.00 O ATOM 706 CB PRO A 47 -5.258 -8.871 -4.396 1.00 0.00 C ATOM 707 CG PRO A 47 -4.487 -9.079 -3.102 1.00 0.00 C ATOM 708 CD PRO A 47 -3.410 -8.009 -3.025 1.00 0.00 C ATOM 0 HA PRO A 47 -4.755 -7.488 -5.978 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -6.332 -8.938 -4.226 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -5.003 -9.636 -5.130 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -5.156 -9.010 -2.244 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -4.040 -10.073 -3.079 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.490 -7.432 -2.103 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.413 -8.449 -3.040 1.00 0.00 H new ATOM 716 N TYR A 48 -5.629 -5.203 -5.004 1.00 0.00 N ATOM 717 CA TYR A 48 -6.553 -4.099 -4.807 1.00 0.00 C ATOM 718 C TYR A 48 -7.966 -4.480 -5.253 1.00 0.00 C ATOM 719 O TYR A 48 -8.934 -4.237 -4.534 1.00 0.00 O ATOM 720 CB TYR A 48 -6.042 -2.959 -5.691 1.00 0.00 C ATOM 721 CG TYR A 48 -4.700 -2.377 -5.243 1.00 0.00 C ATOM 722 CD1 TYR A 48 -4.624 -1.634 -4.082 1.00 0.00 C ATOM 723 CD2 TYR A 48 -3.567 -2.595 -5.998 1.00 0.00 C ATOM 724 CE1 TYR A 48 -3.361 -1.086 -3.660 1.00 0.00 C ATOM 725 CE2 TYR A 48 -2.303 -2.048 -5.576 1.00 0.00 C ATOM 726 CZ TYR A 48 -2.263 -1.320 -4.428 1.00 0.00 C ATOM 727 OH TYR A 48 -1.070 -0.802 -4.029 1.00 0.00 O ATOM 0 H TYR A 48 -4.748 -4.947 -5.450 1.00 0.00 H new ATOM 0 HA TYR A 48 -6.601 -3.822 -3.754 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -5.945 -3.322 -6.714 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.786 -2.162 -5.704 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -5.511 -1.464 -3.490 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -3.627 -3.176 -6.906 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -3.287 -0.502 -2.754 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -1.408 -2.212 -6.158 1.00 0.00 H new ATOM 0 HH TYR A 48 -0.374 -1.050 -4.673 1.00 0.00 H new ATOM 737 N ARG A 49 -8.040 -5.070 -6.436 1.00 0.00 N ATOM 738 CA ARG A 49 -9.319 -5.487 -6.986 1.00 0.00 C ATOM 739 C ARG A 49 -10.040 -6.416 -6.008 1.00 0.00 C ATOM 740 O ARG A 49 -11.057 -6.042 -5.426 1.00 0.00 O ATOM 741 CB ARG A 49 -9.135 -6.209 -8.323 1.00 0.00 C ATOM 742 CG ARG A 49 -10.466 -6.337 -9.065 1.00 0.00 C ATOM 743 CD ARG A 49 -10.427 -5.582 -10.395 1.00 0.00 C ATOM 744 NE ARG A 49 -10.127 -6.520 -11.500 1.00 0.00 N ATOM 745 CZ ARG A 49 -10.958 -7.487 -11.911 1.00 0.00 C ATOM 746 NH1 ARG A 49 -12.145 -7.650 -11.311 1.00 0.00 N ATOM 747 NH2 ARG A 49 -10.603 -8.292 -12.922 1.00 0.00 N ATOM 0 H ARG A 49 -7.235 -5.270 -7.030 1.00 0.00 H new ATOM 0 HA ARG A 49 -9.917 -4.591 -7.149 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -8.422 -5.663 -8.940 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -8.714 -7.200 -8.150 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -10.686 -7.389 -9.246 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -11.272 -5.946 -8.444 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -11.384 -5.092 -10.573 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -9.670 -4.799 -10.356 1.00 0.00 H new ATOM 0 HE ARG A 49 -9.231 -6.424 -11.979 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -12.416 -7.038 -10.541 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -12.778 -8.386 -11.624 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -9.700 -8.169 -13.379 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -11.236 -9.028 -13.234 1.00 0.00 H new ATOM 761 N LYS A 50 -9.485 -7.610 -5.856 1.00 0.00 N ATOM 762 CA LYS A 50 -10.062 -8.595 -4.958 1.00 0.00 C ATOM 763 C LYS A 50 -10.450 -7.915 -3.643 1.00 0.00 C ATOM 764 O LYS A 50 -11.579 -8.058 -3.176 1.00 0.00 O ATOM 765 CB LYS A 50 -9.111 -9.780 -4.779 1.00 0.00 C ATOM 766 CG LYS A 50 -9.509 -10.944 -5.689 1.00 0.00 C ATOM 767 CD LYS A 50 -8.680 -12.192 -5.376 1.00 0.00 C ATOM 768 CE LYS A 50 -9.549 -13.451 -5.419 1.00 0.00 C ATOM 769 NZ LYS A 50 -10.562 -13.419 -4.341 1.00 0.00 N ATOM 0 H LYS A 50 -8.641 -7.917 -6.340 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.975 -9.010 -5.385 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.091 -9.470 -5.005 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -9.122 -10.106 -3.739 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -10.569 -11.165 -5.561 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -9.367 -10.660 -6.732 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.866 -12.282 -6.095 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.225 -12.093 -4.391 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -10.043 -13.526 -6.388 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.922 -14.336 -5.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -10.783 -14.391 -4.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.189 -12.885 -3.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -11.426 -12.958 -4.691 1.00 0.00 H new ATOM 783 N ILE A 51 -9.493 -7.189 -3.084 1.00 0.00 N ATOM 784 CA ILE A 51 -9.721 -6.487 -1.833 1.00 0.00 C ATOM 785 C ILE A 51 -10.903 -5.530 -1.998 1.00 0.00 C ATOM 786 O ILE A 51 -11.682 -5.334 -1.066 1.00 0.00 O ATOM 787 CB ILE A 51 -8.437 -5.802 -1.362 1.00 0.00 C ATOM 788 CG1 ILE A 51 -7.560 -6.769 -0.563 1.00 0.00 C ATOM 789 CG2 ILE A 51 -8.752 -4.529 -0.573 1.00 0.00 C ATOM 790 CD1 ILE A 51 -6.148 -6.840 -1.148 1.00 0.00 C ATOM 0 H ILE A 51 -8.558 -7.072 -3.475 1.00 0.00 H new ATOM 0 HA ILE A 51 -9.988 -7.191 -1.045 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.867 -5.503 -2.242 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.511 -6.446 0.477 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -8.010 -7.762 -0.568 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.822 -4.062 -0.250 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.305 -3.836 -1.207 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.353 -4.782 0.300 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.546 -7.534 -0.562 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -6.199 -7.186 -2.180 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.692 -5.850 -1.119 1.00 0.00 H new ATOM 802 N THR A 52 -11.000 -4.960 -3.190 1.00 0.00 N ATOM 803 CA THR A 52 -12.075 -4.029 -3.489 1.00 0.00 C ATOM 804 C THR A 52 -13.424 -4.749 -3.476 1.00 0.00 C ATOM 805 O THR A 52 -14.258 -4.499 -2.607 1.00 0.00 O ATOM 806 CB THR A 52 -11.758 -3.355 -4.826 1.00 0.00 C ATOM 807 OG1 THR A 52 -11.527 -1.992 -4.482 1.00 0.00 O ATOM 808 CG2 THR A 52 -12.971 -3.304 -5.758 1.00 0.00 C ATOM 0 H THR A 52 -10.352 -5.125 -3.960 1.00 0.00 H new ATOM 0 HA THR A 52 -12.150 -3.253 -2.727 1.00 0.00 H new ATOM 0 HB THR A 52 -10.945 -3.889 -5.318 1.00 0.00 H new ATOM 0 HG1 THR A 52 -11.313 -1.482 -5.291 1.00 0.00 H new ATOM 0 HG21 THR A 52 -12.692 -2.816 -6.692 1.00 0.00 H new ATOM 0 HG22 THR A 52 -13.313 -4.318 -5.966 1.00 0.00 H new ATOM 0 HG23 THR A 52 -13.773 -2.741 -5.281 1.00 0.00 H new ATOM 816 N ILE A 53 -13.598 -5.630 -4.451 1.00 0.00 N ATOM 817 CA ILE A 53 -14.832 -6.389 -4.562 1.00 0.00 C ATOM 818 C ILE A 53 -15.220 -6.930 -3.185 1.00 0.00 C ATOM 819 O ILE A 53 -16.397 -6.944 -2.829 1.00 0.00 O ATOM 820 CB ILE A 53 -14.699 -7.474 -5.633 1.00 0.00 C ATOM 821 CG1 ILE A 53 -13.476 -8.355 -5.372 1.00 0.00 C ATOM 822 CG2 ILE A 53 -14.674 -6.861 -7.035 1.00 0.00 C ATOM 823 CD1 ILE A 53 -13.250 -9.335 -6.525 1.00 0.00 C ATOM 0 H ILE A 53 -12.905 -5.835 -5.171 1.00 0.00 H new ATOM 0 HA ILE A 53 -15.646 -5.744 -4.892 1.00 0.00 H new ATOM 0 HB ILE A 53 -15.577 -8.117 -5.578 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -12.593 -7.729 -5.244 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -13.613 -8.907 -4.442 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -14.579 -7.654 -7.777 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -15.599 -6.311 -7.208 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -13.826 -6.181 -7.120 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -12.375 -9.949 -6.314 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -14.125 -9.976 -6.635 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -13.089 -8.779 -7.449 1.00 0.00 H new ATOM 835 N ASN A 54 -14.207 -7.361 -2.447 1.00 0.00 N ATOM 836 CA ASN A 54 -14.428 -7.901 -1.116 1.00 0.00 C ATOM 837 C ASN A 54 -13.077 -8.173 -0.451 1.00 0.00 C ATOM 838 O ASN A 54 -12.297 -8.993 -0.933 1.00 0.00 O ATOM 839 CB ASN A 54 -15.199 -9.220 -1.178 1.00 0.00 C ATOM 840 CG ASN A 54 -14.327 -10.338 -1.754 1.00 0.00 C ATOM 841 OD1 ASN A 54 -13.583 -11.004 -1.054 1.00 0.00 O ATOM 842 ND2 ASN A 54 -14.460 -10.506 -3.067 1.00 0.00 N ATOM 0 H ASN A 54 -13.232 -7.347 -2.745 1.00 0.00 H new ATOM 0 HA ASN A 54 -15.006 -7.172 -0.548 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -15.537 -9.495 -0.179 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -16.090 -9.096 -1.793 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -13.921 -11.227 -3.546 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -15.101 -9.914 -3.595 1.00 0.00 H new ATOM 849 N PRO A 55 -12.835 -7.450 0.676 1.00 0.00 N ATOM 850 CA PRO A 55 -11.592 -7.606 1.412 1.00 0.00 C ATOM 851 C PRO A 55 -11.586 -8.913 2.208 1.00 0.00 C ATOM 852 O PRO A 55 -10.528 -9.390 2.616 1.00 0.00 O ATOM 853 CB PRO A 55 -11.502 -6.372 2.296 1.00 0.00 C ATOM 854 CG PRO A 55 -12.910 -5.806 2.367 1.00 0.00 C ATOM 855 CD PRO A 55 -13.735 -6.470 1.276 1.00 0.00 C ATOM 0 HA PRO A 55 -10.722 -7.677 0.759 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -11.134 -6.629 3.289 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -10.808 -5.642 1.878 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -13.349 -5.996 3.346 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -12.894 -4.725 2.229 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -14.624 -6.948 1.687 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -14.076 -5.743 0.539 1.00 0.00 H new ATOM 863 N GLY A 56 -12.779 -9.454 2.404 1.00 0.00 N ATOM 864 CA GLY A 56 -12.925 -10.697 3.144 1.00 0.00 C ATOM 865 C GLY A 56 -11.578 -11.408 3.290 1.00 0.00 C ATOM 866 O GLY A 56 -11.024 -11.475 4.387 1.00 0.00 O ATOM 0 H GLY A 56 -13.654 -9.055 2.064 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -13.341 -10.491 4.130 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -13.631 -11.350 2.631 1.00 0.00 H new ATOM 870 N CYS A 57 -11.091 -11.921 2.170 1.00 0.00 N ATOM 871 CA CYS A 57 -9.820 -12.625 2.161 1.00 0.00 C ATOM 872 C CYS A 57 -8.763 -11.718 2.795 1.00 0.00 C ATOM 873 O CYS A 57 -8.382 -11.916 3.948 1.00 0.00 O ATOM 874 CB CYS A 57 -9.425 -13.060 0.748 1.00 0.00 C ATOM 875 SG CYS A 57 -10.692 -14.188 0.063 1.00 0.00 S ATOM 0 H CYS A 57 -11.553 -11.863 1.263 1.00 0.00 H new ATOM 0 HA CYS A 57 -9.906 -13.543 2.743 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -9.319 -12.186 0.106 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -8.456 -13.559 0.770 1.00 0.00 H new ATOM 0 HG CYS A 57 -10.348 -14.549 -1.137 1.00 0.00 H new ATOM 881 N VAL A 58 -8.321 -10.743 2.015 1.00 0.00 N ATOM 882 CA VAL A 58 -7.316 -9.805 2.486 1.00 0.00 C ATOM 883 C VAL A 58 -7.994 -8.488 2.867 1.00 0.00 C ATOM 884 O VAL A 58 -8.723 -7.906 2.065 1.00 0.00 O ATOM 885 CB VAL A 58 -6.225 -9.632 1.427 1.00 0.00 C ATOM 886 CG1 VAL A 58 -5.389 -8.380 1.702 1.00 0.00 C ATOM 887 CG2 VAL A 58 -5.338 -10.876 1.345 1.00 0.00 C ATOM 0 H VAL A 58 -8.640 -10.582 1.060 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.824 -10.188 3.380 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.713 -9.504 0.461 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.621 -8.280 0.935 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -6.034 -7.501 1.687 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.916 -8.466 2.680 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.571 -10.727 0.585 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.863 -11.048 2.311 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.947 -11.740 1.081 1.00 0.00 H new ATOM 897 N VAL A 59 -7.729 -8.055 4.091 1.00 0.00 N ATOM 898 CA VAL A 59 -8.304 -6.817 4.589 1.00 0.00 C ATOM 899 C VAL A 59 -7.224 -5.733 4.615 1.00 0.00 C ATOM 900 O VAL A 59 -6.039 -6.029 4.470 1.00 0.00 O ATOM 901 CB VAL A 59 -8.949 -7.052 5.956 1.00 0.00 C ATOM 902 CG1 VAL A 59 -9.621 -5.778 6.471 1.00 0.00 C ATOM 903 CG2 VAL A 59 -9.944 -8.213 5.900 1.00 0.00 C ATOM 0 H VAL A 59 -7.123 -8.540 4.753 1.00 0.00 H new ATOM 0 HA VAL A 59 -9.097 -6.470 3.926 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.159 -7.321 6.658 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -10.072 -5.972 7.444 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.877 -4.987 6.567 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -10.394 -5.465 5.769 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -10.388 -8.359 6.885 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.728 -7.986 5.178 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.425 -9.123 5.597 1.00 0.00 H new ATOM 913 N VAL A 60 -7.673 -4.501 4.802 1.00 0.00 N ATOM 914 CA VAL A 60 -6.760 -3.371 4.849 1.00 0.00 C ATOM 915 C VAL A 60 -7.182 -2.428 5.978 1.00 0.00 C ATOM 916 O VAL A 60 -8.326 -1.979 6.022 1.00 0.00 O ATOM 917 CB VAL A 60 -6.708 -2.683 3.484 1.00 0.00 C ATOM 918 CG1 VAL A 60 -5.944 -1.360 3.566 1.00 0.00 C ATOM 919 CG2 VAL A 60 -6.095 -3.606 2.428 1.00 0.00 C ATOM 0 H VAL A 60 -8.657 -4.260 4.923 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.746 -3.707 5.067 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.731 -2.461 3.181 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.922 -0.891 2.582 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.441 -0.696 4.273 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.924 -1.549 3.901 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.070 -3.093 1.467 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.080 -3.873 2.723 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.698 -4.510 2.341 1.00 0.00 H new ATOM 929 N ASP A 61 -6.234 -2.155 6.863 1.00 0.00 N ATOM 930 CA ASP A 61 -6.492 -1.274 7.989 1.00 0.00 C ATOM 931 C ASP A 61 -5.399 -0.205 8.055 1.00 0.00 C ATOM 932 O ASP A 61 -4.452 -0.231 7.271 1.00 0.00 O ATOM 933 CB ASP A 61 -6.478 -2.047 9.309 1.00 0.00 C ATOM 934 CG ASP A 61 -7.827 -2.633 9.730 1.00 0.00 C ATOM 935 OD1 ASP A 61 -8.692 -2.765 8.837 1.00 0.00 O ATOM 936 OD2 ASP A 61 -7.963 -2.936 10.935 1.00 0.00 O ATOM 0 H ASP A 61 -5.286 -2.529 6.823 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.474 -0.824 7.846 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.755 -2.859 9.229 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -6.125 -1.383 10.098 1.00 0.00 H new ATOM 941 N GLY A 62 -5.568 0.710 8.999 1.00 0.00 N ATOM 942 CA GLY A 62 -4.607 1.786 9.178 1.00 0.00 C ATOM 943 C GLY A 62 -4.979 3.000 8.324 1.00 0.00 C ATOM 944 O GLY A 62 -4.720 4.138 8.712 1.00 0.00 O ATOM 0 H GLY A 62 -6.355 0.728 9.647 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -4.569 2.074 10.229 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -3.610 1.437 8.907 1.00 0.00 H new ATOM 948 N MET A 63 -5.579 2.716 7.178 1.00 0.00 N ATOM 949 CA MET A 63 -5.989 3.770 6.266 1.00 0.00 C ATOM 950 C MET A 63 -6.567 4.963 7.031 1.00 0.00 C ATOM 951 O MET A 63 -7.104 4.801 8.125 1.00 0.00 O ATOM 952 CB MET A 63 -7.040 3.227 5.296 1.00 0.00 C ATOM 953 CG MET A 63 -6.451 2.132 4.405 1.00 0.00 C ATOM 954 SD MET A 63 -5.053 2.771 3.497 1.00 0.00 S ATOM 955 CE MET A 63 -5.899 3.538 2.125 1.00 0.00 C ATOM 0 H MET A 63 -5.791 1.770 6.860 1.00 0.00 H new ATOM 0 HA MET A 63 -5.112 4.107 5.713 1.00 0.00 H new ATOM 0 HB2 MET A 63 -7.886 2.829 5.856 1.00 0.00 H new ATOM 0 HB3 MET A 63 -7.422 4.038 4.676 1.00 0.00 H new ATOM 0 HG2 MET A 63 -6.142 1.283 5.014 1.00 0.00 H new ATOM 0 HG3 MET A 63 -7.210 1.768 3.712 1.00 0.00 H new ATOM 0 HE1 MET A 63 -5.324 3.386 1.212 1.00 0.00 H new ATOM 0 HE2 MET A 63 -6.886 3.091 2.011 1.00 0.00 H new ATOM 0 HE3 MET A 63 -6.004 4.606 2.314 1.00 0.00 H new ATOM 965 N PRO A 64 -6.433 6.164 6.409 1.00 0.00 N ATOM 966 CA PRO A 64 -6.935 7.383 7.019 1.00 0.00 C ATOM 967 C PRO A 64 -8.460 7.460 6.915 1.00 0.00 C ATOM 968 O PRO A 64 -9.076 6.685 6.186 1.00 0.00 O ATOM 969 CB PRO A 64 -6.232 8.511 6.282 1.00 0.00 C ATOM 970 CG PRO A 64 -5.720 7.906 4.985 1.00 0.00 C ATOM 971 CD PRO A 64 -5.802 6.394 5.112 1.00 0.00 C ATOM 0 HA PRO A 64 -6.728 7.434 8.088 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -6.917 9.335 6.085 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.411 8.914 6.876 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -6.317 8.251 4.141 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.693 8.218 4.798 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -6.390 5.960 4.303 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.813 5.939 5.067 1.00 0.00 H new ATOM 979 N PRO A 65 -9.040 8.428 7.675 1.00 0.00 N ATOM 980 CA PRO A 65 -10.480 8.617 7.675 1.00 0.00 C ATOM 981 C PRO A 65 -10.944 9.301 6.388 1.00 0.00 C ATOM 982 O PRO A 65 -10.302 10.236 5.912 1.00 0.00 O ATOM 983 CB PRO A 65 -10.770 9.437 8.921 1.00 0.00 C ATOM 984 CG PRO A 65 -9.446 10.070 9.320 1.00 0.00 C ATOM 985 CD PRO A 65 -8.342 9.365 8.550 1.00 0.00 C ATOM 0 HA PRO A 65 -11.027 7.675 7.699 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -11.523 10.199 8.721 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -11.159 8.807 9.721 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -9.449 11.136 9.093 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -9.285 9.973 10.394 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -7.745 10.074 7.976 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -7.660 8.845 9.223 1.00 0.00 H new ATOM 993 N GLY A 66 -12.055 8.808 5.860 1.00 0.00 N ATOM 994 CA GLY A 66 -12.612 9.361 4.637 1.00 0.00 C ATOM 995 C GLY A 66 -11.675 9.123 3.452 1.00 0.00 C ATOM 996 O GLY A 66 -11.621 9.931 2.526 1.00 0.00 O ATOM 0 H GLY A 66 -12.584 8.032 6.257 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -13.581 8.905 4.436 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -12.782 10.430 4.762 1.00 0.00 H new ATOM 1000 N VAL A 67 -10.961 8.009 3.518 1.00 0.00 N ATOM 1001 CA VAL A 67 -10.029 7.654 2.461 1.00 0.00 C ATOM 1002 C VAL A 67 -10.120 6.151 2.190 1.00 0.00 C ATOM 1003 O VAL A 67 -9.572 5.347 2.941 1.00 0.00 O ATOM 1004 CB VAL A 67 -8.616 8.109 2.834 1.00 0.00 C ATOM 1005 CG1 VAL A 67 -7.591 7.605 1.816 1.00 0.00 C ATOM 1006 CG2 VAL A 67 -8.550 9.632 2.972 1.00 0.00 C ATOM 0 H VAL A 67 -11.009 7.340 4.287 1.00 0.00 H new ATOM 0 HA VAL A 67 -10.288 8.168 1.535 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.368 7.674 3.802 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.595 7.942 2.105 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.611 6.516 1.788 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.835 7.998 0.829 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.536 9.930 3.237 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.828 10.095 2.025 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.239 9.957 3.751 1.00 0.00 H new ATOM 1016 N SER A 68 -10.817 5.818 1.113 1.00 0.00 N ATOM 1017 CA SER A 68 -10.988 4.426 0.734 1.00 0.00 C ATOM 1018 C SER A 68 -9.682 3.878 0.153 1.00 0.00 C ATOM 1019 O SER A 68 -8.905 4.620 -0.445 1.00 0.00 O ATOM 1020 CB SER A 68 -12.126 4.266 -0.277 1.00 0.00 C ATOM 1021 OG SER A 68 -13.252 5.073 0.055 1.00 0.00 O ATOM 0 H SER A 68 -11.270 6.488 0.491 1.00 0.00 H new ATOM 0 HA SER A 68 -11.249 3.858 1.627 1.00 0.00 H new ATOM 0 HB2 SER A 68 -11.768 4.534 -1.271 1.00 0.00 H new ATOM 0 HB3 SER A 68 -12.429 3.220 -0.319 1.00 0.00 H new ATOM 0 HG SER A 68 -13.956 4.944 -0.615 1.00 0.00 H new ATOM 1027 N PHE A 69 -9.481 2.583 0.351 1.00 0.00 N ATOM 1028 CA PHE A 69 -8.283 1.928 -0.145 1.00 0.00 C ATOM 1029 C PHE A 69 -8.475 1.454 -1.588 1.00 0.00 C ATOM 1030 O PHE A 69 -9.529 0.925 -1.936 1.00 0.00 O ATOM 1031 CB PHE A 69 -8.036 0.712 0.750 1.00 0.00 C ATOM 1032 CG PHE A 69 -6.960 -0.240 0.223 1.00 0.00 C ATOM 1033 CD1 PHE A 69 -5.659 0.154 0.193 1.00 0.00 C ATOM 1034 CD2 PHE A 69 -7.305 -1.480 -0.216 1.00 0.00 C ATOM 1035 CE1 PHE A 69 -4.660 -0.729 -0.295 1.00 0.00 C ATOM 1036 CE2 PHE A 69 -6.306 -2.363 -0.705 1.00 0.00 C ATOM 1037 CZ PHE A 69 -5.005 -1.969 -0.735 1.00 0.00 C ATOM 0 H PHE A 69 -10.128 1.970 0.848 1.00 0.00 H new ATOM 0 HA PHE A 69 -7.444 2.623 -0.128 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -7.747 1.057 1.743 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -8.970 0.161 0.863 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.385 1.139 0.541 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.338 -1.793 -0.193 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -3.627 -0.416 -0.317 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.580 -3.348 -1.053 1.00 0.00 H new ATOM 0 HZ PHE A 69 -4.246 -2.640 -1.108 1.00 0.00 H new ATOM 1047 N LYS A 70 -7.439 1.661 -2.387 1.00 0.00 N ATOM 1048 CA LYS A 70 -7.479 1.262 -3.783 1.00 0.00 C ATOM 1049 C LYS A 70 -6.161 1.645 -4.458 1.00 0.00 C ATOM 1050 O LYS A 70 -5.375 2.411 -3.902 1.00 0.00 O ATOM 1051 CB LYS A 70 -8.715 1.846 -4.472 1.00 0.00 C ATOM 1052 CG LYS A 70 -8.828 3.349 -4.211 1.00 0.00 C ATOM 1053 CD LYS A 70 -10.134 3.908 -4.780 1.00 0.00 C ATOM 1054 CE LYS A 70 -10.950 4.610 -3.693 1.00 0.00 C ATOM 1055 NZ LYS A 70 -11.212 6.017 -4.069 1.00 0.00 N ATOM 0 H LYS A 70 -6.566 2.100 -2.094 1.00 0.00 H new ATOM 0 HA LYS A 70 -7.577 0.180 -3.866 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -8.659 1.663 -5.545 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.611 1.342 -4.109 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -8.783 3.540 -3.139 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.980 3.865 -4.662 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -9.913 4.610 -5.584 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -10.721 3.099 -5.215 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -11.894 4.086 -3.543 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -10.412 4.575 -2.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -12.021 6.377 -3.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -10.371 6.594 -3.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -11.429 6.070 -5.085 1.00 0.00 H new ATOM 1069 N ALA A 71 -5.958 1.094 -5.646 1.00 0.00 N ATOM 1070 CA ALA A 71 -4.748 1.369 -6.402 1.00 0.00 C ATOM 1071 C ALA A 71 -4.391 2.850 -6.264 1.00 0.00 C ATOM 1072 O ALA A 71 -5.270 3.688 -6.066 1.00 0.00 O ATOM 1073 CB ALA A 71 -4.951 0.951 -7.859 1.00 0.00 C ATOM 0 H ALA A 71 -6.611 0.458 -6.104 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.911 0.791 -6.011 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -4.044 1.157 -8.426 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -5.173 -0.115 -7.904 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -5.782 1.513 -8.286 1.00 0.00 H new ATOM 1079 N PRO A 72 -3.066 3.135 -6.378 1.00 0.00 N ATOM 1080 CA PRO A 72 -2.583 4.501 -6.269 1.00 0.00 C ATOM 1081 C PRO A 72 -2.898 5.298 -7.536 1.00 0.00 C ATOM 1082 O PRO A 72 -2.609 6.491 -7.612 1.00 0.00 O ATOM 1083 CB PRO A 72 -1.091 4.370 -6.005 1.00 0.00 C ATOM 1084 CG PRO A 72 -0.714 2.963 -6.438 1.00 0.00 C ATOM 1085 CD PRO A 72 -1.998 2.169 -6.613 1.00 0.00 C ATOM 0 HA PRO A 72 -3.069 5.056 -5.467 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -0.528 5.116 -6.566 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -0.865 4.528 -4.950 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -0.151 2.989 -7.371 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -0.073 2.493 -5.692 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -2.065 1.740 -7.613 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -2.051 1.341 -5.906 1.00 0.00 H new ATOM 1093 N SER A 73 -3.488 4.606 -8.500 1.00 0.00 N ATOM 1094 CA SER A 73 -3.846 5.234 -9.760 1.00 0.00 C ATOM 1095 C SER A 73 -5.092 6.103 -9.577 1.00 0.00 C ATOM 1096 O SER A 73 -5.082 7.287 -9.909 1.00 0.00 O ATOM 1097 CB SER A 73 -4.085 4.187 -10.850 1.00 0.00 C ATOM 1098 OG SER A 73 -4.650 4.759 -12.026 1.00 0.00 O ATOM 0 H SER A 73 -3.727 3.617 -8.433 1.00 0.00 H new ATOM 0 HA SER A 73 -3.014 5.864 -10.075 1.00 0.00 H new ATOM 0 HB2 SER A 73 -3.141 3.702 -11.100 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.750 3.412 -10.469 1.00 0.00 H new ATOM 0 HG SER A 73 -4.786 4.059 -12.698 1.00 0.00 H new ATOM 1104 N TYR A 74 -6.136 5.480 -9.048 1.00 0.00 N ATOM 1105 CA TYR A 74 -7.387 6.182 -8.816 1.00 0.00 C ATOM 1106 C TYR A 74 -7.232 7.228 -7.710 1.00 0.00 C ATOM 1107 O TYR A 74 -7.782 8.324 -7.806 1.00 0.00 O ATOM 1108 CB TYR A 74 -8.388 5.119 -8.360 1.00 0.00 C ATOM 1109 CG TYR A 74 -8.591 3.983 -9.364 1.00 0.00 C ATOM 1110 CD1 TYR A 74 -8.705 4.264 -10.710 1.00 0.00 C ATOM 1111 CD2 TYR A 74 -8.660 2.677 -8.924 1.00 0.00 C ATOM 1112 CE1 TYR A 74 -8.895 3.195 -11.656 1.00 0.00 C ATOM 1113 CE2 TYR A 74 -8.851 1.607 -9.870 1.00 0.00 C ATOM 1114 CZ TYR A 74 -8.959 1.919 -11.189 1.00 0.00 C ATOM 1115 OH TYR A 74 -9.140 0.910 -12.082 1.00 0.00 O ATOM 0 H TYR A 74 -6.141 4.498 -8.774 1.00 0.00 H new ATOM 0 HA TYR A 74 -7.710 6.700 -9.719 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -8.049 4.697 -7.414 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -9.349 5.597 -8.169 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.652 5.286 -11.054 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -8.571 2.457 -7.870 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.985 3.402 -12.712 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.907 0.581 -9.539 1.00 0.00 H new ATOM 0 HH TYR A 74 -9.165 0.053 -11.607 1.00 0.00 H new ATOM 1125 N LEU A 75 -6.481 6.853 -6.686 1.00 0.00 N ATOM 1126 CA LEU A 75 -6.247 7.745 -5.563 1.00 0.00 C ATOM 1127 C LEU A 75 -5.491 8.983 -6.050 1.00 0.00 C ATOM 1128 O LEU A 75 -4.654 8.891 -6.946 1.00 0.00 O ATOM 1129 CB LEU A 75 -5.542 7.002 -4.426 1.00 0.00 C ATOM 1130 CG LEU A 75 -6.240 5.741 -3.914 1.00 0.00 C ATOM 1131 CD1 LEU A 75 -5.372 5.011 -2.888 1.00 0.00 C ATOM 1132 CD2 LEU A 75 -7.628 6.069 -3.360 1.00 0.00 C ATOM 0 H LEU A 75 -6.026 5.943 -6.610 1.00 0.00 H new ATOM 0 HA LEU A 75 -7.194 8.091 -5.148 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.542 6.728 -4.763 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.420 7.690 -3.590 1.00 0.00 H new ATOM 0 HG LEU A 75 -6.381 5.064 -4.756 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.892 4.118 -2.541 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.427 4.724 -3.349 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.177 5.670 -2.042 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.102 5.155 -3.003 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.533 6.775 -2.535 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -8.239 6.511 -4.147 1.00 0.00 H new ATOM 1144 N GLU A 76 -5.815 10.113 -5.438 1.00 0.00 N ATOM 1145 CA GLU A 76 -5.178 11.368 -5.798 1.00 0.00 C ATOM 1146 C GLU A 76 -3.940 11.603 -4.929 1.00 0.00 C ATOM 1147 O GLU A 76 -3.623 10.791 -4.061 1.00 0.00 O ATOM 1148 CB GLU A 76 -6.160 12.535 -5.680 1.00 0.00 C ATOM 1149 CG GLU A 76 -7.145 12.542 -6.851 1.00 0.00 C ATOM 1150 CD GLU A 76 -8.243 13.586 -6.638 1.00 0.00 C ATOM 1151 OE1 GLU A 76 -7.922 14.632 -6.032 1.00 0.00 O ATOM 1152 OE2 GLU A 76 -9.378 13.315 -7.085 1.00 0.00 O ATOM 0 H GLU A 76 -6.510 10.185 -4.695 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.861 11.307 -6.839 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.707 12.461 -4.740 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.611 13.476 -5.656 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.612 12.754 -7.778 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.593 11.554 -6.960 1.00 0.00 H new ATOM 1159 N ILE A 77 -3.275 12.719 -5.192 1.00 0.00 N ATOM 1160 CA ILE A 77 -2.080 13.071 -4.445 1.00 0.00 C ATOM 1161 C ILE A 77 -2.398 13.061 -2.948 1.00 0.00 C ATOM 1162 O ILE A 77 -1.817 12.283 -2.192 1.00 0.00 O ATOM 1163 CB ILE A 77 -1.509 14.400 -4.943 1.00 0.00 C ATOM 1164 CG1 ILE A 77 -1.159 14.323 -6.430 1.00 0.00 C ATOM 1165 CG2 ILE A 77 -0.313 14.836 -4.094 1.00 0.00 C ATOM 1166 CD1 ILE A 77 -0.132 15.393 -6.808 1.00 0.00 C ATOM 0 H ILE A 77 -3.541 13.391 -5.912 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.296 12.332 -4.610 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.278 15.165 -4.832 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.762 13.335 -6.663 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.062 14.453 -7.027 1.00 0.00 H new ATOM 0 HG21 ILE A 77 0.074 15.783 -4.470 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -0.628 14.958 -3.058 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.468 14.078 -4.149 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.099 15.316 -7.870 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.541 16.381 -6.596 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.778 15.245 -6.227 1.00 0.00 H new ATOM 1178 N SER A 78 -3.319 13.933 -2.565 1.00 0.00 N ATOM 1179 CA SER A 78 -3.720 14.034 -1.172 1.00 0.00 C ATOM 1180 C SER A 78 -3.917 12.636 -0.582 1.00 0.00 C ATOM 1181 O SER A 78 -3.392 12.331 0.488 1.00 0.00 O ATOM 1182 CB SER A 78 -5.002 14.856 -1.027 1.00 0.00 C ATOM 1183 OG SER A 78 -4.791 16.233 -1.329 1.00 0.00 O ATOM 0 H SER A 78 -3.799 14.576 -3.195 1.00 0.00 H new ATOM 0 HA SER A 78 -2.928 14.545 -0.624 1.00 0.00 H new ATOM 0 HB2 SER A 78 -5.768 14.453 -1.690 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.380 14.762 -0.009 1.00 0.00 H new ATOM 0 HG SER A 78 -5.633 16.723 -1.226 1.00 0.00 H new ATOM 1189 N SER A 79 -4.674 11.824 -1.304 1.00 0.00 N ATOM 1190 CA SER A 79 -4.946 10.466 -0.865 1.00 0.00 C ATOM 1191 C SER A 79 -3.640 9.768 -0.482 1.00 0.00 C ATOM 1192 O SER A 79 -3.458 9.371 0.668 1.00 0.00 O ATOM 1193 CB SER A 79 -5.673 9.671 -1.952 1.00 0.00 C ATOM 1194 OG SER A 79 -6.152 8.419 -1.467 1.00 0.00 O ATOM 0 H SER A 79 -5.108 12.080 -2.191 1.00 0.00 H new ATOM 0 HA SER A 79 -5.595 10.513 0.009 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.510 10.257 -2.331 1.00 0.00 H new ATOM 0 HB3 SER A 79 -4.997 9.501 -2.790 1.00 0.00 H new ATOM 0 HG SER A 79 -7.107 8.492 -1.261 1.00 0.00 H new ATOM 1200 N MET A 80 -2.763 9.640 -1.467 1.00 0.00 N ATOM 1201 CA MET A 80 -1.479 8.998 -1.247 1.00 0.00 C ATOM 1202 C MET A 80 -0.743 9.632 -0.065 1.00 0.00 C ATOM 1203 O MET A 80 -0.322 8.933 0.856 1.00 0.00 O ATOM 1204 CB MET A 80 -0.622 9.124 -2.508 1.00 0.00 C ATOM 1205 CG MET A 80 -1.317 8.481 -3.710 1.00 0.00 C ATOM 1206 SD MET A 80 -0.203 8.429 -5.104 1.00 0.00 S ATOM 1207 CE MET A 80 -0.639 9.962 -5.907 1.00 0.00 C ATOM 0 H MET A 80 -2.917 9.970 -2.420 1.00 0.00 H new ATOM 0 HA MET A 80 -1.655 7.947 -1.019 1.00 0.00 H new ATOM 0 HB2 MET A 80 -0.427 10.176 -2.716 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.344 8.647 -2.344 1.00 0.00 H new ATOM 0 HG2 MET A 80 -1.642 7.472 -3.456 1.00 0.00 H new ATOM 0 HG3 MET A 80 -2.211 9.048 -3.970 1.00 0.00 H new ATOM 0 HE1 MET A 80 -0.466 9.873 -6.979 1.00 0.00 H new ATOM 0 HE2 MET A 80 -1.691 10.181 -5.726 1.00 0.00 H new ATOM 0 HE3 MET A 80 -0.027 10.770 -5.506 1.00 0.00 H new ATOM 1217 N ARG A 81 -0.612 10.948 -0.128 1.00 0.00 N ATOM 1218 CA ARG A 81 0.065 11.684 0.926 1.00 0.00 C ATOM 1219 C ARG A 81 -0.443 11.236 2.297 1.00 0.00 C ATOM 1220 O ARG A 81 0.346 11.012 3.213 1.00 0.00 O ATOM 1221 CB ARG A 81 -0.156 13.191 0.775 1.00 0.00 C ATOM 1222 CG ARG A 81 0.945 13.824 -0.078 1.00 0.00 C ATOM 1223 CD ARG A 81 2.332 13.458 0.456 1.00 0.00 C ATOM 1224 NE ARG A 81 3.299 14.529 0.127 1.00 0.00 N ATOM 1225 CZ ARG A 81 3.379 15.695 0.783 1.00 0.00 C ATOM 1226 NH1 ARG A 81 2.551 15.948 1.805 1.00 0.00 N ATOM 1227 NH2 ARG A 81 4.288 16.609 0.415 1.00 0.00 N ATOM 0 H ARG A 81 -0.963 11.524 -0.893 1.00 0.00 H new ATOM 0 HA ARG A 81 1.132 11.475 0.844 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -1.128 13.376 0.316 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -0.174 13.660 1.759 1.00 0.00 H new ATOM 0 HG2 ARG A 81 0.849 13.488 -1.110 1.00 0.00 H new ATOM 0 HG3 ARG A 81 0.828 14.908 -0.083 1.00 0.00 H new ATOM 0 HD2 ARG A 81 2.289 13.314 1.536 1.00 0.00 H new ATOM 0 HD3 ARG A 81 2.661 12.514 0.022 1.00 0.00 H new ATOM 0 HE ARG A 81 3.944 14.370 -0.647 1.00 0.00 H new ATOM 0 HH11 ARG A 81 1.859 15.253 2.085 1.00 0.00 H new ATOM 0 HH12 ARG A 81 2.613 16.836 2.304 1.00 0.00 H new ATOM 0 HH21 ARG A 81 4.918 16.417 -0.364 1.00 0.00 H new ATOM 0 HH22 ARG A 81 4.350 17.497 0.914 1.00 0.00 H new ATOM 1241 N ARG A 82 -1.759 11.119 2.396 1.00 0.00 N ATOM 1242 CA ARG A 82 -2.383 10.701 3.640 1.00 0.00 C ATOM 1243 C ARG A 82 -1.923 9.291 4.017 1.00 0.00 C ATOM 1244 O ARG A 82 -1.241 9.105 5.024 1.00 0.00 O ATOM 1245 CB ARG A 82 -3.908 10.719 3.525 1.00 0.00 C ATOM 1246 CG ARG A 82 -4.429 12.147 3.354 1.00 0.00 C ATOM 1247 CD ARG A 82 -5.895 12.148 2.917 1.00 0.00 C ATOM 1248 NE ARG A 82 -6.768 12.452 4.073 1.00 0.00 N ATOM 1249 CZ ARG A 82 -8.092 12.636 3.986 1.00 0.00 C ATOM 1250 NH1 ARG A 82 -8.705 12.548 2.798 1.00 0.00 N ATOM 1251 NH2 ARG A 82 -8.804 12.907 5.088 1.00 0.00 N ATOM 0 H ARG A 82 -2.411 11.307 1.634 1.00 0.00 H new ATOM 0 HA ARG A 82 -2.081 11.405 4.415 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -4.219 10.111 2.676 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -4.349 10.272 4.416 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -4.326 12.690 4.293 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -3.825 12.672 2.614 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -6.048 12.887 2.131 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -6.159 11.177 2.497 1.00 0.00 H new ATOM 0 HE ARG A 82 -6.334 12.526 4.993 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -8.164 12.341 1.959 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -9.713 12.688 2.733 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -8.338 12.973 5.993 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -9.812 13.047 5.022 1.00 0.00 H new ATOM 1265 N ILE A 83 -2.314 8.334 3.188 1.00 0.00 N ATOM 1266 CA ILE A 83 -1.950 6.947 3.422 1.00 0.00 C ATOM 1267 C ILE A 83 -0.499 6.879 3.903 1.00 0.00 C ATOM 1268 O ILE A 83 -0.210 6.266 4.929 1.00 0.00 O ATOM 1269 CB ILE A 83 -2.225 6.104 2.176 1.00 0.00 C ATOM 1270 CG1 ILE A 83 -3.715 6.113 1.825 1.00 0.00 C ATOM 1271 CG2 ILE A 83 -1.685 4.682 2.345 1.00 0.00 C ATOM 1272 CD1 ILE A 83 -3.921 6.199 0.312 1.00 0.00 C ATOM 0 H ILE A 83 -2.879 8.492 2.354 1.00 0.00 H new ATOM 0 HA ILE A 83 -2.568 6.519 4.211 1.00 0.00 H new ATOM 0 HB ILE A 83 -1.694 6.553 1.337 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.188 5.209 2.209 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -4.202 6.959 2.311 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.894 4.104 1.445 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.608 4.719 2.511 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -2.168 4.209 3.200 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -4.988 6.204 0.090 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -3.468 7.116 -0.065 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -3.454 5.339 -0.168 1.00 0.00 H new ATOM 1284 N LEU A 84 0.375 7.517 3.138 1.00 0.00 N ATOM 1285 CA LEU A 84 1.789 7.536 3.473 1.00 0.00 C ATOM 1286 C LEU A 84 1.959 7.996 4.922 1.00 0.00 C ATOM 1287 O LEU A 84 2.623 7.330 5.715 1.00 0.00 O ATOM 1288 CB LEU A 84 2.567 8.382 2.463 1.00 0.00 C ATOM 1289 CG LEU A 84 2.776 7.757 1.083 1.00 0.00 C ATOM 1290 CD1 LEU A 84 3.328 8.784 0.093 1.00 0.00 C ATOM 1291 CD2 LEU A 84 3.662 6.513 1.173 1.00 0.00 C ATOM 0 H LEU A 84 0.131 8.024 2.287 1.00 0.00 H new ATOM 0 HA LEU A 84 2.211 6.533 3.405 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.045 9.330 2.335 1.00 0.00 H new ATOM 0 HB3 LEU A 84 3.544 8.611 2.888 1.00 0.00 H new ATOM 0 HG LEU A 84 1.806 7.435 0.704 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.467 8.313 -0.880 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.626 9.612 -0.002 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.285 9.160 0.454 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.795 6.088 0.178 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.634 6.787 1.583 1.00 0.00 H new ATOM 0 HD23 LEU A 84 3.189 5.776 1.822 1.00 0.00 H new ATOM 1303 N ASP A 85 1.347 9.132 5.224 1.00 0.00 N ATOM 1304 CA ASP A 85 1.422 9.689 6.564 1.00 0.00 C ATOM 1305 C ASP A 85 1.021 8.618 7.580 1.00 0.00 C ATOM 1306 O ASP A 85 1.443 8.664 8.735 1.00 0.00 O ATOM 1307 CB ASP A 85 0.466 10.873 6.723 1.00 0.00 C ATOM 1308 CG ASP A 85 0.838 11.860 7.831 1.00 0.00 C ATOM 1309 OD1 ASP A 85 2.046 11.936 8.142 1.00 0.00 O ATOM 1310 OD2 ASP A 85 -0.095 12.517 8.343 1.00 0.00 O ATOM 0 H ASP A 85 0.797 9.682 4.564 1.00 0.00 H new ATOM 0 HA ASP A 85 2.445 10.026 6.732 1.00 0.00 H new ATOM 0 HB2 ASP A 85 0.419 11.413 5.777 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -0.535 10.489 6.920 1.00 0.00 H new ATOM 1315 N SER A 86 0.211 7.679 7.114 1.00 0.00 N ATOM 1316 CA SER A 86 -0.251 6.598 7.968 1.00 0.00 C ATOM 1317 C SER A 86 0.402 5.281 7.545 1.00 0.00 C ATOM 1318 O SER A 86 -0.087 4.204 7.884 1.00 0.00 O ATOM 1319 CB SER A 86 -1.775 6.473 7.922 1.00 0.00 C ATOM 1320 OG SER A 86 -2.397 7.102 9.040 1.00 0.00 O ATOM 0 H SER A 86 -0.137 7.644 6.156 1.00 0.00 H new ATOM 0 HA SER A 86 0.037 6.826 8.994 1.00 0.00 H new ATOM 0 HB2 SER A 86 -2.148 6.921 7.001 1.00 0.00 H new ATOM 0 HB3 SER A 86 -2.052 5.419 7.899 1.00 0.00 H new ATOM 0 HG SER A 86 -2.323 6.521 9.825 1.00 0.00 H new ATOM 1326 N ALA A 87 1.497 5.409 6.811 1.00 0.00 N ATOM 1327 CA ALA A 87 2.223 4.243 6.338 1.00 0.00 C ATOM 1328 C ALA A 87 2.443 3.277 7.504 1.00 0.00 C ATOM 1329 O ALA A 87 2.345 2.063 7.337 1.00 0.00 O ATOM 1330 CB ALA A 87 3.537 4.686 5.692 1.00 0.00 C ATOM 0 H ALA A 87 1.900 6.304 6.532 1.00 0.00 H new ATOM 0 HA ALA A 87 1.648 3.716 5.577 1.00 0.00 H new ATOM 0 HB1 ALA A 87 4.081 3.811 5.337 1.00 0.00 H new ATOM 0 HB2 ALA A 87 3.325 5.347 4.851 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.143 5.217 6.426 1.00 0.00 H new ATOM 1336 N GLU A 88 2.737 3.854 8.661 1.00 0.00 N ATOM 1337 CA GLU A 88 2.972 3.059 9.854 1.00 0.00 C ATOM 1338 C GLU A 88 1.663 2.437 10.344 1.00 0.00 C ATOM 1339 O GLU A 88 1.672 1.386 10.983 1.00 0.00 O ATOM 1340 CB GLU A 88 3.624 3.901 10.953 1.00 0.00 C ATOM 1341 CG GLU A 88 2.699 5.036 11.396 1.00 0.00 C ATOM 1342 CD GLU A 88 3.412 5.977 12.370 1.00 0.00 C ATOM 1343 OE1 GLU A 88 3.457 5.625 13.568 1.00 0.00 O ATOM 1344 OE2 GLU A 88 3.896 7.026 11.894 1.00 0.00 O ATOM 0 H GLU A 88 2.818 4.862 8.797 1.00 0.00 H new ATOM 0 HA GLU A 88 3.661 2.254 9.601 1.00 0.00 H new ATOM 0 HB2 GLU A 88 3.863 3.268 11.807 1.00 0.00 H new ATOM 0 HB3 GLU A 88 4.565 4.315 10.589 1.00 0.00 H new ATOM 0 HG2 GLU A 88 2.362 5.597 10.524 1.00 0.00 H new ATOM 0 HG3 GLU A 88 1.810 4.621 11.871 1.00 0.00 H new ATOM 1351 N PHE A 89 0.568 3.113 10.027 1.00 0.00 N ATOM 1352 CA PHE A 89 -0.746 2.640 10.426 1.00 0.00 C ATOM 1353 C PHE A 89 -1.256 1.562 9.467 1.00 0.00 C ATOM 1354 O PHE A 89 -1.853 0.576 9.897 1.00 0.00 O ATOM 1355 CB PHE A 89 -1.690 3.842 10.372 1.00 0.00 C ATOM 1356 CG PHE A 89 -1.859 4.562 11.711 1.00 0.00 C ATOM 1357 CD1 PHE A 89 -2.399 3.905 12.773 1.00 0.00 C ATOM 1358 CD2 PHE A 89 -1.470 5.859 11.840 1.00 0.00 C ATOM 1359 CE1 PHE A 89 -2.556 4.573 14.016 1.00 0.00 C ATOM 1360 CE2 PHE A 89 -1.627 6.527 13.084 1.00 0.00 C ATOM 1361 CZ PHE A 89 -2.167 5.870 14.145 1.00 0.00 C ATOM 0 H PHE A 89 0.565 3.985 9.498 1.00 0.00 H new ATOM 0 HA PHE A 89 -0.697 2.206 11.425 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.316 4.552 9.634 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.668 3.508 10.025 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.708 2.875 12.671 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.042 6.381 10.997 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.984 4.051 14.859 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -1.317 7.557 13.187 1.00 0.00 H new ATOM 0 HZ PHE A 89 -2.287 6.378 15.090 1.00 0.00 H new ATOM 1371 N ILE A 90 -1.001 1.787 8.187 1.00 0.00 N ATOM 1372 CA ILE A 90 -1.427 0.847 7.163 1.00 0.00 C ATOM 1373 C ILE A 90 -1.211 -0.581 7.667 1.00 0.00 C ATOM 1374 O ILE A 90 -0.222 -0.862 8.342 1.00 0.00 O ATOM 1375 CB ILE A 90 -0.725 1.145 5.837 1.00 0.00 C ATOM 1376 CG1 ILE A 90 -0.937 2.602 5.419 1.00 0.00 C ATOM 1377 CG2 ILE A 90 -1.170 0.166 4.749 1.00 0.00 C ATOM 1378 CD1 ILE A 90 -2.363 3.059 5.730 1.00 0.00 C ATOM 0 H ILE A 90 -0.505 2.606 7.835 1.00 0.00 H new ATOM 0 HA ILE A 90 -2.493 0.957 6.964 1.00 0.00 H new ATOM 0 HB ILE A 90 0.346 1.004 5.979 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -0.225 3.241 5.941 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -0.741 2.710 4.352 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -0.656 0.400 3.817 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -0.925 -0.852 5.053 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.247 0.251 4.601 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -2.487 4.098 5.423 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -3.072 2.433 5.188 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -2.547 2.972 6.801 1.00 0.00 H new ATOM 1390 N LYS A 91 -2.152 -1.447 7.318 1.00 0.00 N ATOM 1391 CA LYS A 91 -2.076 -2.839 7.726 1.00 0.00 C ATOM 1392 C LYS A 91 -2.900 -3.694 6.760 1.00 0.00 C ATOM 1393 O LYS A 91 -3.822 -3.196 6.116 1.00 0.00 O ATOM 1394 CB LYS A 91 -2.492 -2.991 9.190 1.00 0.00 C ATOM 1395 CG LYS A 91 -1.897 -4.263 9.800 1.00 0.00 C ATOM 1396 CD LYS A 91 -2.432 -4.495 11.214 1.00 0.00 C ATOM 1397 CE LYS A 91 -3.574 -5.514 11.207 1.00 0.00 C ATOM 1398 NZ LYS A 91 -4.836 -4.882 11.653 1.00 0.00 N ATOM 0 H LYS A 91 -2.971 -1.211 6.757 1.00 0.00 H new ATOM 0 HA LYS A 91 -1.048 -3.197 7.672 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -2.161 -2.122 9.758 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.579 -3.023 9.261 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -2.139 -5.120 9.171 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -0.810 -4.184 9.827 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -1.627 -4.850 11.858 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -2.783 -3.552 11.633 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -3.699 -5.922 10.204 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -3.328 -6.350 11.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -5.600 -5.587 11.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -4.718 -4.514 12.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -5.078 -4.100 11.012 1.00 0.00 H new ATOM 1412 N PHE A 92 -2.537 -4.966 6.691 1.00 0.00 N ATOM 1413 CA PHE A 92 -3.231 -5.895 5.815 1.00 0.00 C ATOM 1414 C PHE A 92 -3.395 -7.262 6.484 1.00 0.00 C ATOM 1415 O PHE A 92 -2.408 -7.907 6.837 1.00 0.00 O ATOM 1416 CB PHE A 92 -2.370 -6.055 4.560 1.00 0.00 C ATOM 1417 CG PHE A 92 -2.497 -4.899 3.567 1.00 0.00 C ATOM 1418 CD1 PHE A 92 -1.986 -3.677 3.878 1.00 0.00 C ATOM 1419 CD2 PHE A 92 -3.120 -5.092 2.374 1.00 0.00 C ATOM 1420 CE1 PHE A 92 -2.104 -2.603 2.956 1.00 0.00 C ATOM 1421 CE2 PHE A 92 -3.238 -4.018 1.452 1.00 0.00 C ATOM 1422 CZ PHE A 92 -2.727 -2.796 1.763 1.00 0.00 C ATOM 0 H PHE A 92 -1.772 -5.375 7.227 1.00 0.00 H new ATOM 0 HA PHE A 92 -4.225 -5.513 5.581 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -1.326 -6.151 4.858 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -2.645 -6.983 4.059 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -1.491 -3.524 4.825 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.525 -6.062 2.127 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.699 -1.633 3.203 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.733 -4.171 0.505 1.00 0.00 H new ATOM 0 HZ PHE A 92 -2.816 -1.979 1.062 1.00 0.00 H new ATOM 1432 N THR A 93 -4.648 -7.662 6.639 1.00 0.00 N ATOM 1433 CA THR A 93 -4.954 -8.940 7.260 1.00 0.00 C ATOM 1434 C THR A 93 -5.390 -9.956 6.202 1.00 0.00 C ATOM 1435 O THR A 93 -6.311 -9.696 5.429 1.00 0.00 O ATOM 1436 CB THR A 93 -6.008 -8.700 8.343 1.00 0.00 C ATOM 1437 OG1 THR A 93 -5.331 -7.910 9.317 1.00 0.00 O ATOM 1438 CG2 THR A 93 -6.378 -9.980 9.094 1.00 0.00 C ATOM 0 H THR A 93 -5.463 -7.124 6.346 1.00 0.00 H new ATOM 0 HA THR A 93 -4.072 -9.370 7.735 1.00 0.00 H new ATOM 0 HB THR A 93 -6.903 -8.273 7.890 1.00 0.00 H new ATOM 0 HG1 THR A 93 -5.942 -7.706 10.055 1.00 0.00 H new ATOM 0 HG21 THR A 93 -7.129 -9.754 9.851 1.00 0.00 H new ATOM 0 HG22 THR A 93 -6.779 -10.711 8.392 1.00 0.00 H new ATOM 0 HG23 THR A 93 -5.490 -10.389 9.575 1.00 0.00 H new ATOM 1446 N VAL A 94 -4.709 -11.092 6.202 1.00 0.00 N ATOM 1447 CA VAL A 94 -5.015 -12.148 5.253 1.00 0.00 C ATOM 1448 C VAL A 94 -5.890 -13.202 5.933 1.00 0.00 C ATOM 1449 O VAL A 94 -5.378 -14.159 6.513 1.00 0.00 O ATOM 1450 CB VAL A 94 -3.720 -12.726 4.678 1.00 0.00 C ATOM 1451 CG1 VAL A 94 -3.999 -13.988 3.859 1.00 0.00 C ATOM 1452 CG2 VAL A 94 -2.977 -11.683 3.842 1.00 0.00 C ATOM 0 H VAL A 94 -3.946 -11.304 6.845 1.00 0.00 H new ATOM 0 HA VAL A 94 -5.581 -11.751 4.410 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.078 -13.004 5.514 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.062 -14.378 3.462 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -4.464 -14.740 4.496 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -4.670 -13.746 3.035 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -2.061 -12.120 3.445 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -3.611 -11.359 3.017 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.729 -10.825 4.467 1.00 0.00 H new ATOM 1462 N ILE A 95 -7.195 -12.992 5.840 1.00 0.00 N ATOM 1463 CA ILE A 95 -8.146 -13.912 6.439 1.00 0.00 C ATOM 1464 C ILE A 95 -8.015 -15.282 5.769 1.00 0.00 C ATOM 1465 O ILE A 95 -7.725 -16.276 6.433 1.00 0.00 O ATOM 1466 CB ILE A 95 -9.561 -13.333 6.382 1.00 0.00 C ATOM 1467 CG1 ILE A 95 -9.748 -12.240 7.437 1.00 0.00 C ATOM 1468 CG2 ILE A 95 -10.612 -14.438 6.509 1.00 0.00 C ATOM 1469 CD1 ILE A 95 -8.871 -11.025 7.129 1.00 0.00 C ATOM 0 H ILE A 95 -7.616 -12.197 5.358 1.00 0.00 H new ATOM 0 HA ILE A 95 -7.926 -14.051 7.497 1.00 0.00 H new ATOM 0 HB ILE A 95 -9.701 -12.867 5.406 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -10.795 -11.938 7.471 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -9.497 -12.634 8.422 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -11.609 -13.999 6.465 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -10.493 -15.149 5.692 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -10.484 -14.954 7.461 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -9.023 -10.263 7.894 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.823 -11.326 7.119 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -9.141 -10.619 6.154 1.00 0.00 H new ATOM 1481 N ARG A 96 -8.236 -15.290 4.463 1.00 0.00 N ATOM 1482 CA ARG A 96 -8.147 -16.521 3.696 1.00 0.00 C ATOM 1483 C ARG A 96 -7.341 -16.292 2.416 1.00 0.00 C ATOM 1484 O ARG A 96 -7.549 -15.301 1.717 1.00 0.00 O ATOM 1485 CB ARG A 96 -9.537 -17.043 3.329 1.00 0.00 C ATOM 1486 CG ARG A 96 -10.249 -16.083 2.375 1.00 0.00 C ATOM 1487 CD ARG A 96 -11.588 -15.625 2.956 1.00 0.00 C ATOM 1488 NE ARG A 96 -12.654 -15.757 1.938 1.00 0.00 N ATOM 1489 CZ ARG A 96 -13.965 -15.751 2.217 1.00 0.00 C ATOM 1490 NH1 ARG A 96 -14.379 -15.620 3.484 1.00 0.00 N ATOM 1491 NH2 ARG A 96 -14.860 -15.876 1.228 1.00 0.00 N ATOM 0 H ARG A 96 -8.477 -14.463 3.916 1.00 0.00 H new ATOM 0 HA ARG A 96 -7.645 -17.263 4.317 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -9.449 -18.025 2.864 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -10.132 -17.170 4.233 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -9.615 -15.217 2.185 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -10.414 -16.574 1.416 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -11.836 -16.222 3.834 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -11.515 -14.589 3.286 1.00 0.00 H new ATOM 0 HE ARG A 96 -12.373 -15.859 0.963 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -13.697 -15.525 4.236 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -15.377 -15.615 3.697 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -14.544 -15.976 0.263 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -15.858 -15.872 1.440 1.00 0.00 H new ATOM 1505 N PRO A 97 -6.414 -17.248 2.141 1.00 0.00 N ATOM 1506 CA PRO A 97 -5.576 -17.160 0.957 1.00 0.00 C ATOM 1507 C PRO A 97 -6.368 -17.516 -0.302 1.00 0.00 C ATOM 1508 O PRO A 97 -7.279 -18.341 -0.255 1.00 0.00 O ATOM 1509 CB PRO A 97 -4.421 -18.112 1.222 1.00 0.00 C ATOM 1510 CG PRO A 97 -4.890 -19.040 2.329 1.00 0.00 C ATOM 1511 CD PRO A 97 -6.140 -18.434 2.947 1.00 0.00 C ATOM 0 HA PRO A 97 -5.208 -16.150 0.775 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -4.165 -18.674 0.324 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -3.527 -17.566 1.523 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -5.103 -20.032 1.931 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -4.111 -19.160 3.082 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -6.975 -19.134 2.918 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -5.978 -18.173 3.993 1.00 0.00 H new ATOM 1519 N PHE A 98 -5.991 -16.877 -1.400 1.00 0.00 N ATOM 1520 CA PHE A 98 -6.654 -17.116 -2.670 1.00 0.00 C ATOM 1521 C PHE A 98 -6.280 -18.488 -3.235 1.00 0.00 C ATOM 1522 O PHE A 98 -5.307 -19.099 -2.797 1.00 0.00 O ATOM 1523 CB PHE A 98 -6.173 -16.032 -3.637 1.00 0.00 C ATOM 1524 CG PHE A 98 -6.027 -14.649 -2.998 1.00 0.00 C ATOM 1525 CD1 PHE A 98 -7.012 -14.162 -2.198 1.00 0.00 C ATOM 1526 CD2 PHE A 98 -4.911 -13.907 -3.231 1.00 0.00 C ATOM 1527 CE1 PHE A 98 -6.876 -12.879 -1.605 1.00 0.00 C ATOM 1528 CE2 PHE A 98 -4.775 -12.624 -2.639 1.00 0.00 C ATOM 1529 CZ PHE A 98 -5.761 -12.137 -1.838 1.00 0.00 C ATOM 0 H PHE A 98 -5.234 -16.194 -1.436 1.00 0.00 H new ATOM 0 HA PHE A 98 -7.735 -17.091 -2.535 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -5.211 -16.332 -4.054 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -6.874 -15.965 -4.469 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -7.898 -14.751 -2.013 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -4.128 -14.294 -3.867 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -7.658 -12.493 -0.969 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -3.889 -12.035 -2.824 1.00 0.00 H new ATOM 0 HZ PHE A 98 -5.658 -11.161 -1.387 1.00 0.00 H new ATOM 1539 N PRO A 99 -7.094 -18.944 -4.224 1.00 0.00 N ATOM 1540 CA PRO A 99 -6.859 -20.232 -4.853 1.00 0.00 C ATOM 1541 C PRO A 99 -5.671 -20.164 -5.815 1.00 0.00 C ATOM 1542 O PRO A 99 -5.318 -21.161 -6.442 1.00 0.00 O ATOM 1543 CB PRO A 99 -8.167 -20.576 -5.547 1.00 0.00 C ATOM 1544 CG PRO A 99 -8.928 -19.267 -5.674 1.00 0.00 C ATOM 1545 CD PRO A 99 -8.257 -18.248 -4.768 1.00 0.00 C ATOM 0 HA PRO A 99 -6.589 -21.007 -4.136 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -7.985 -21.018 -6.526 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -8.736 -21.304 -4.969 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -8.922 -18.921 -6.708 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -9.971 -19.403 -5.389 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -7.962 -17.358 -5.324 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -8.929 -17.920 -3.975 1.00 0.00 H new ATOM 1553 N GLY A 100 -5.088 -18.978 -5.900 1.00 0.00 N ATOM 1554 CA GLY A 100 -3.947 -18.766 -6.775 1.00 0.00 C ATOM 1555 C GLY A 100 -2.819 -18.040 -6.040 1.00 0.00 C ATOM 1556 O GLY A 100 -1.796 -17.708 -6.637 1.00 0.00 O ATOM 0 H GLY A 100 -5.384 -18.153 -5.378 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -3.586 -19.725 -7.146 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -4.254 -18.183 -7.644 1.00 0.00 H new ATOM 1560 N LEU A 101 -3.043 -17.815 -4.754 1.00 0.00 N ATOM 1561 CA LEU A 101 -2.058 -17.134 -3.930 1.00 0.00 C ATOM 1562 C LEU A 101 -0.895 -18.085 -3.643 1.00 0.00 C ATOM 1563 O LEU A 101 -1.041 -19.301 -3.754 1.00 0.00 O ATOM 1564 CB LEU A 101 -2.714 -16.567 -2.669 1.00 0.00 C ATOM 1565 CG LEU A 101 -1.819 -15.704 -1.778 1.00 0.00 C ATOM 1566 CD1 LEU A 101 -1.445 -14.396 -2.478 1.00 0.00 C ATOM 1567 CD2 LEU A 101 -2.473 -15.460 -0.417 1.00 0.00 C ATOM 0 H LEU A 101 -3.892 -18.092 -4.262 1.00 0.00 H new ATOM 0 HA LEU A 101 -1.646 -16.276 -4.460 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -3.577 -15.972 -2.968 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -3.091 -17.399 -2.074 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.892 -16.247 -1.597 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -0.809 -13.802 -1.822 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -0.909 -14.618 -3.401 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.351 -13.836 -2.710 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -1.816 -14.844 0.197 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -3.425 -14.947 -0.557 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -2.645 -16.415 0.080 1.00 0.00 H new ATOM 1579 N VAL A 102 0.235 -17.494 -3.281 1.00 0.00 N ATOM 1580 CA VAL A 102 1.423 -18.274 -2.977 1.00 0.00 C ATOM 1581 C VAL A 102 2.258 -17.535 -1.930 1.00 0.00 C ATOM 1582 O VAL A 102 2.283 -16.305 -1.905 1.00 0.00 O ATOM 1583 CB VAL A 102 2.199 -18.567 -4.263 1.00 0.00 C ATOM 1584 CG1 VAL A 102 3.477 -19.353 -3.965 1.00 0.00 C ATOM 1585 CG2 VAL A 102 1.323 -19.309 -5.275 1.00 0.00 C ATOM 0 H VAL A 102 0.353 -16.485 -3.192 1.00 0.00 H new ATOM 0 HA VAL A 102 1.148 -19.239 -2.552 1.00 0.00 H new ATOM 0 HB VAL A 102 2.487 -17.613 -4.705 1.00 0.00 H new ATOM 0 HG11 VAL A 102 4.010 -19.548 -4.896 1.00 0.00 H new ATOM 0 HG12 VAL A 102 4.114 -18.773 -3.297 1.00 0.00 H new ATOM 0 HG13 VAL A 102 3.220 -20.299 -3.489 1.00 0.00 H new ATOM 0 HG21 VAL A 102 1.898 -19.505 -6.180 1.00 0.00 H new ATOM 0 HG22 VAL A 102 0.990 -20.254 -4.845 1.00 0.00 H new ATOM 0 HG23 VAL A 102 0.455 -18.698 -5.522 1.00 0.00 H new ATOM 1595 N ILE A 103 2.923 -18.316 -1.091 1.00 0.00 N ATOM 1596 CA ILE A 103 3.757 -17.751 -0.044 1.00 0.00 C ATOM 1597 C ILE A 103 5.146 -18.390 -0.105 1.00 0.00 C ATOM 1598 O ILE A 103 5.551 -19.093 0.820 1.00 0.00 O ATOM 1599 CB ILE A 103 3.075 -17.891 1.318 1.00 0.00 C ATOM 1600 CG1 ILE A 103 1.690 -17.242 1.307 1.00 0.00 C ATOM 1601 CG2 ILE A 103 3.961 -17.332 2.434 1.00 0.00 C ATOM 1602 CD1 ILE A 103 1.127 -17.125 2.725 1.00 0.00 C ATOM 0 H ILE A 103 2.901 -19.335 -1.115 1.00 0.00 H new ATOM 0 HA ILE A 103 3.891 -16.680 -0.199 1.00 0.00 H new ATOM 0 HB ILE A 103 2.931 -18.952 1.521 1.00 0.00 H new ATOM 0 HG12 ILE A 103 1.752 -16.253 0.854 1.00 0.00 H new ATOM 0 HG13 ILE A 103 1.013 -17.833 0.691 1.00 0.00 H new ATOM 0 HG21 ILE A 103 3.453 -17.444 3.392 1.00 0.00 H new ATOM 0 HG22 ILE A 103 4.904 -17.878 2.458 1.00 0.00 H new ATOM 0 HG23 ILE A 103 4.157 -16.276 2.248 1.00 0.00 H new ATOM 0 HD11 ILE A 103 0.142 -16.660 2.688 1.00 0.00 H new ATOM 0 HD12 ILE A 103 1.043 -18.118 3.166 1.00 0.00 H new ATOM 0 HD13 ILE A 103 1.794 -16.513 3.332 1.00 0.00 H new ATOM 1614 N ASN A 104 5.838 -18.123 -1.203 1.00 0.00 N ATOM 1615 CA ASN A 104 7.173 -18.663 -1.397 1.00 0.00 C ATOM 1616 C ASN A 104 8.187 -17.518 -1.396 1.00 0.00 C ATOM 1617 O ASN A 104 7.977 -16.498 -2.052 1.00 0.00 O ATOM 1618 CB ASN A 104 7.283 -19.392 -2.738 1.00 0.00 C ATOM 1619 CG ASN A 104 7.827 -20.809 -2.548 1.00 0.00 C ATOM 1620 OD1 ASN A 104 7.224 -21.791 -2.949 1.00 0.00 O ATOM 1621 ND2 ASN A 104 8.996 -20.860 -1.917 1.00 0.00 N ATOM 0 H ASN A 104 5.499 -17.539 -1.968 1.00 0.00 H new ATOM 0 HA ASN A 104 7.374 -19.365 -0.588 1.00 0.00 H new ATOM 0 HB2 ASN A 104 6.303 -19.435 -3.214 1.00 0.00 H new ATOM 0 HB3 ASN A 104 7.938 -18.834 -3.407 1.00 0.00 H new ATOM 0 HD21 ASN A 104 9.442 -21.760 -1.742 1.00 0.00 H new ATOM 0 HD22 ASN A 104 9.447 -19.999 -1.608 1.00 0.00 H new ATOM 1628 N ASN A 105 9.264 -17.723 -0.652 1.00 0.00 N ATOM 1629 CA ASN A 105 10.310 -16.720 -0.557 1.00 0.00 C ATOM 1630 C ASN A 105 11.179 -16.775 -1.816 1.00 0.00 C ATOM 1631 O ASN A 105 10.915 -17.564 -2.722 1.00 0.00 O ATOM 1632 CB ASN A 105 11.213 -16.978 0.651 1.00 0.00 C ATOM 1633 CG ASN A 105 12.410 -17.850 0.266 1.00 0.00 C ATOM 1634 OD1 ASN A 105 13.549 -17.566 0.597 1.00 0.00 O ATOM 1635 ND2 ASN A 105 12.089 -18.924 -0.450 1.00 0.00 N ATOM 0 H ASN A 105 9.434 -18.570 -0.109 1.00 0.00 H new ATOM 0 HA ASN A 105 9.834 -15.745 -0.450 1.00 0.00 H new ATOM 0 HB2 ASN A 105 11.565 -16.029 1.055 1.00 0.00 H new ATOM 0 HB3 ASN A 105 10.641 -17.467 1.439 1.00 0.00 H new ATOM 0 HD21 ASN A 105 12.817 -19.569 -0.756 1.00 0.00 H new ATOM 0 HD22 ASN A 105 11.115 -19.103 -0.693 1.00 0.00 H new ATOM 1642 N GLN A 106 12.197 -15.928 -1.831 1.00 0.00 N ATOM 1643 CA GLN A 106 13.106 -15.870 -2.963 1.00 0.00 C ATOM 1644 C GLN A 106 12.352 -15.455 -4.228 1.00 0.00 C ATOM 1645 O GLN A 106 11.205 -15.851 -4.430 1.00 0.00 O ATOM 1646 CB GLN A 106 13.818 -17.209 -3.164 1.00 0.00 C ATOM 1647 CG GLN A 106 15.334 -17.019 -3.240 1.00 0.00 C ATOM 1648 CD GLN A 106 15.872 -16.380 -1.958 1.00 0.00 C ATOM 1649 OE1 GLN A 106 15.736 -16.908 -0.867 1.00 0.00 O ATOM 1650 NE2 GLN A 106 16.488 -15.217 -2.150 1.00 0.00 N ATOM 0 H GLN A 106 12.413 -15.276 -1.077 1.00 0.00 H new ATOM 0 HA GLN A 106 13.868 -15.119 -2.754 1.00 0.00 H new ATOM 0 HB2 GLN A 106 13.573 -17.882 -2.342 1.00 0.00 H new ATOM 0 HB3 GLN A 106 13.461 -17.681 -4.079 1.00 0.00 H new ATOM 0 HG2 GLN A 106 15.817 -17.983 -3.401 1.00 0.00 H new ATOM 0 HG3 GLN A 106 15.583 -16.391 -4.096 1.00 0.00 H new ATOM 0 HE21 GLN A 106 16.567 -14.831 -3.091 1.00 0.00 H new ATOM 0 HE22 GLN A 106 16.881 -14.711 -1.356 1.00 0.00 H new ATOM 1659 N LEU A 107 13.027 -14.661 -5.047 1.00 0.00 N ATOM 1660 CA LEU A 107 12.435 -14.188 -6.287 1.00 0.00 C ATOM 1661 C LEU A 107 13.392 -14.474 -7.445 1.00 0.00 C ATOM 1662 O LEU A 107 14.410 -15.141 -7.265 1.00 0.00 O ATOM 1663 CB LEU A 107 12.041 -12.715 -6.164 1.00 0.00 C ATOM 1664 CG LEU A 107 10.772 -12.425 -5.360 1.00 0.00 C ATOM 1665 CD1 LEU A 107 11.072 -12.376 -3.860 1.00 0.00 C ATOM 1666 CD2 LEU A 107 10.093 -11.144 -5.850 1.00 0.00 C ATOM 0 H LEU A 107 13.978 -14.334 -4.876 1.00 0.00 H new ATOM 0 HA LEU A 107 11.510 -14.725 -6.497 1.00 0.00 H new ATOM 0 HB2 LEU A 107 12.869 -12.175 -5.705 1.00 0.00 H new ATOM 0 HB3 LEU A 107 11.912 -12.309 -7.167 1.00 0.00 H new ATOM 0 HG LEU A 107 10.071 -13.244 -5.522 1.00 0.00 H new ATOM 0 HD11 LEU A 107 10.153 -12.168 -3.312 1.00 0.00 H new ATOM 0 HD12 LEU A 107 11.477 -13.335 -3.539 1.00 0.00 H new ATOM 0 HD13 LEU A 107 11.799 -11.589 -3.660 1.00 0.00 H new ATOM 0 HD21 LEU A 107 9.194 -10.961 -5.262 1.00 0.00 H new ATOM 0 HD22 LEU A 107 10.778 -10.303 -5.737 1.00 0.00 H new ATOM 0 HD23 LEU A 107 9.823 -11.254 -6.900 1.00 0.00 H new ATOM 1678 N VAL A 108 13.033 -13.954 -8.610 1.00 0.00 N ATOM 1679 CA VAL A 108 13.847 -14.146 -9.798 1.00 0.00 C ATOM 1680 C VAL A 108 15.073 -13.234 -9.723 1.00 0.00 C ATOM 1681 O VAL A 108 16.173 -13.635 -10.099 1.00 0.00 O ATOM 1682 CB VAL A 108 13.004 -13.911 -11.053 1.00 0.00 C ATOM 1683 CG1 VAL A 108 13.882 -13.881 -12.306 1.00 0.00 C ATOM 1684 CG2 VAL A 108 11.904 -14.967 -11.180 1.00 0.00 C ATOM 0 H VAL A 108 12.189 -13.400 -8.756 1.00 0.00 H new ATOM 0 HA VAL A 108 14.208 -15.173 -9.852 1.00 0.00 H new ATOM 0 HB VAL A 108 12.524 -12.937 -10.957 1.00 0.00 H new ATOM 0 HG11 VAL A 108 13.258 -13.713 -13.184 1.00 0.00 H new ATOM 0 HG12 VAL A 108 14.612 -13.076 -12.220 1.00 0.00 H new ATOM 0 HG13 VAL A 108 14.403 -14.833 -12.408 1.00 0.00 H new ATOM 0 HG21 VAL A 108 11.319 -14.777 -12.080 1.00 0.00 H new ATOM 0 HG22 VAL A 108 12.356 -15.957 -11.243 1.00 0.00 H new ATOM 0 HG23 VAL A 108 11.252 -14.920 -10.308 1.00 0.00 H new ATOM 1694 N SER A 109 14.843 -12.025 -9.234 1.00 0.00 N ATOM 1695 CA SER A 109 15.915 -11.053 -9.104 1.00 0.00 C ATOM 1696 C SER A 109 15.335 -9.671 -8.798 1.00 0.00 C ATOM 1697 O SER A 109 14.217 -9.359 -9.206 1.00 0.00 O ATOM 1698 CB SER A 109 16.768 -11.001 -10.373 1.00 0.00 C ATOM 1699 OG SER A 109 18.127 -11.344 -10.117 1.00 0.00 O ATOM 0 H SER A 109 13.929 -11.696 -8.923 1.00 0.00 H new ATOM 0 HA SER A 109 16.557 -11.361 -8.279 1.00 0.00 H new ATOM 0 HB2 SER A 109 16.355 -11.684 -11.115 1.00 0.00 H new ATOM 0 HB3 SER A 109 16.721 -9.999 -10.801 1.00 0.00 H new ATOM 0 HG SER A 109 18.638 -11.301 -10.952 1.00 0.00 H new ATOM 1705 N GLY A 110 16.121 -8.879 -8.083 1.00 0.00 N ATOM 1706 CA GLY A 110 15.699 -7.537 -7.718 1.00 0.00 C ATOM 1707 C GLY A 110 16.903 -6.660 -7.370 1.00 0.00 C ATOM 1708 O GLY A 110 17.384 -6.679 -6.238 1.00 0.00 O ATOM 0 H GLY A 110 17.048 -9.141 -7.747 1.00 0.00 H new ATOM 0 HA2 GLY A 110 15.145 -7.089 -8.543 1.00 0.00 H new ATOM 0 HA3 GLY A 110 15.020 -7.584 -6.866 1.00 0.00 H new ATOM 1712 N PRO A 111 17.368 -5.891 -8.391 1.00 0.00 N ATOM 1713 CA PRO A 111 18.506 -5.007 -8.205 1.00 0.00 C ATOM 1714 C PRO A 111 18.111 -3.766 -7.403 1.00 0.00 C ATOM 1715 O PRO A 111 18.305 -2.640 -7.860 1.00 0.00 O ATOM 1716 CB PRO A 111 18.984 -4.680 -9.610 1.00 0.00 C ATOM 1717 CG PRO A 111 17.823 -5.011 -10.533 1.00 0.00 C ATOM 1718 CD PRO A 111 16.823 -5.842 -9.745 1.00 0.00 C ATOM 0 HA PRO A 111 19.305 -5.467 -7.624 1.00 0.00 H new ATOM 0 HB2 PRO A 111 19.262 -3.629 -9.693 1.00 0.00 H new ATOM 0 HB3 PRO A 111 19.867 -5.265 -9.868 1.00 0.00 H new ATOM 0 HG2 PRO A 111 17.355 -4.098 -10.900 1.00 0.00 H new ATOM 0 HG3 PRO A 111 18.174 -5.562 -11.405 1.00 0.00 H new ATOM 0 HD2 PRO A 111 15.833 -5.387 -9.757 1.00 0.00 H new ATOM 0 HD3 PRO A 111 16.719 -6.842 -10.167 1.00 0.00 H new ATOM 1726 N SER A 112 17.565 -4.012 -6.222 1.00 0.00 N ATOM 1727 CA SER A 112 17.141 -2.928 -5.352 1.00 0.00 C ATOM 1728 C SER A 112 16.491 -1.817 -6.180 1.00 0.00 C ATOM 1729 O SER A 112 16.596 -0.640 -5.837 1.00 0.00 O ATOM 1730 CB SER A 112 18.319 -2.373 -4.550 1.00 0.00 C ATOM 1731 OG SER A 112 18.553 -3.119 -3.359 1.00 0.00 O ATOM 0 H SER A 112 17.406 -4.947 -5.846 1.00 0.00 H new ATOM 0 HA SER A 112 16.410 -3.321 -4.646 1.00 0.00 H new ATOM 0 HB2 SER A 112 19.217 -2.386 -5.168 1.00 0.00 H new ATOM 0 HB3 SER A 112 18.124 -1.332 -4.293 1.00 0.00 H new ATOM 0 HG SER A 112 19.314 -2.734 -2.876 1.00 0.00 H new ATOM 1737 N SER A 113 15.834 -2.230 -7.253 1.00 0.00 N ATOM 1738 CA SER A 113 15.167 -1.284 -8.132 1.00 0.00 C ATOM 1739 C SER A 113 14.064 -1.992 -8.922 1.00 0.00 C ATOM 1740 O SER A 113 12.883 -1.697 -8.745 1.00 0.00 O ATOM 1741 CB SER A 113 16.163 -0.624 -9.088 1.00 0.00 C ATOM 1742 OG SER A 113 15.523 0.280 -9.985 1.00 0.00 O ATOM 0 H SER A 113 15.749 -3.207 -7.534 1.00 0.00 H new ATOM 0 HA SER A 113 14.721 -0.502 -7.517 1.00 0.00 H new ATOM 0 HB2 SER A 113 16.918 -0.089 -8.512 1.00 0.00 H new ATOM 0 HB3 SER A 113 16.683 -1.394 -9.658 1.00 0.00 H new ATOM 0 HG SER A 113 16.192 0.682 -10.577 1.00 0.00 H new ATOM 1748 N GLY A 114 14.488 -2.911 -9.776 1.00 0.00 N ATOM 1749 CA GLY A 114 13.550 -3.663 -10.593 1.00 0.00 C ATOM 1750 C GLY A 114 12.447 -2.754 -11.138 1.00 0.00 C ATOM 1751 O GLY A 114 12.566 -2.220 -12.240 1.00 0.00 O ATOM 0 H GLY A 114 15.468 -3.152 -9.920 1.00 0.00 H new ATOM 0 HA2 GLY A 114 14.080 -4.134 -11.421 1.00 0.00 H new ATOM 0 HA3 GLY A 114 13.107 -4.464 -10.001 1.00 0.00 H new TER 1755 GLY A 114