USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 857 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 53 SER OG : rot -144:sc= 0.76 USER MOD Set 1.2: A 102 MET CE :methyl 148:sc=-0.00957 (180deg=-1.7!) USER MOD Set 2.1: A 58 THR OG1 : rot 180:sc= 1.06 USER MOD Set 2.2: A 61 SER OG : rot 104:sc= 1.19 USER MOD Set 3.1: A 47 GLN :FLIP amide:sc= -0.714 F(o=-4.2!,f=-0.71) USER MOD Set 3.2: A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -113:sc= 0.2 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0.00938 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 27:sc= 0.0812 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 GLN : amide:sc= 1.13 K(o=1.1,f=-0.016) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot -69:sc= 0.377 USER MOD Single : A 29 THR OG1 : rot -172:sc= 1.26 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -28:sc= 1.25 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 0.624 K(o=0.62,f=-0.55) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 59 GLN : amide:sc= -0.206 K(o=-0.21,f=-2.7!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0909) USER MOD Single : A 73 HIS : no HD1:sc= -1.93 X(o=-1.9,f=-2!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 167:sc= -0.0322 (180deg=-0.212) USER MOD Single : A 86 MET CE :methyl -179:sc=-0.00854 (180deg=-0.016) USER MOD Single : A 87 GLN : amide:sc= -0.772 X(o=-0.77,f=-0.82) USER MOD Single : A 91 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 94 HIS : no HE2:sc= 0.929 K(o=0.93,f=-3.2!) USER MOD Single : A 95 ASN : amide:sc= -0.0672 K(o=-0.067,f=-6!) USER MOD Single : A 98 LYS NZ :NH3+ -170:sc= 1.22 (180deg=1.03) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 166:sc= 0.761 (180deg=0.608) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.322 -13.738 -49.350 1.00 0.00 N ATOM 2 CA GLY A 1 -23.025 -14.381 -48.224 1.00 0.00 C ATOM 3 C GLY A 1 -22.024 -15.170 -47.397 1.00 0.00 C ATOM 4 O GLY A 1 -20.832 -15.074 -47.666 1.00 0.00 O ATOM 0 H1 GLY A 1 -22.335 -12.706 -49.223 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.337 -14.071 -49.380 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.798 -13.983 -50.242 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.512 -13.627 -47.606 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -23.808 -15.041 -48.597 1.00 0.00 H new ATOM 8 N SER A 2 -22.494 -15.941 -46.419 1.00 0.00 N ATOM 9 CA SER A 2 -21.712 -16.931 -45.691 1.00 0.00 C ATOM 10 C SER A 2 -22.678 -18.056 -45.296 1.00 0.00 C ATOM 11 O SER A 2 -23.870 -17.964 -45.604 1.00 0.00 O ATOM 12 CB SER A 2 -21.037 -16.279 -44.474 1.00 0.00 C ATOM 13 OG SER A 2 -19.991 -17.108 -44.015 1.00 0.00 O ATOM 0 H SER A 2 -23.462 -15.890 -46.103 1.00 0.00 H new ATOM 0 HA SER A 2 -20.906 -17.342 -46.300 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.646 -15.298 -44.744 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.767 -16.124 -43.680 1.00 0.00 H new ATOM 0 HG SER A 2 -19.559 -16.691 -43.240 1.00 0.00 H new ATOM 19 N SER A 3 -22.178 -19.101 -44.642 1.00 0.00 N ATOM 20 CA SER A 3 -22.956 -20.167 -44.028 1.00 0.00 C ATOM 21 C SER A 3 -22.081 -20.806 -42.939 1.00 0.00 C ATOM 22 O SER A 3 -20.929 -20.405 -42.754 1.00 0.00 O ATOM 23 CB SER A 3 -23.389 -21.172 -45.108 1.00 0.00 C ATOM 24 OG SER A 3 -24.391 -22.044 -44.620 1.00 0.00 O ATOM 0 H SER A 3 -21.174 -19.231 -44.522 1.00 0.00 H new ATOM 0 HA SER A 3 -23.870 -19.792 -43.567 1.00 0.00 H new ATOM 0 HB2 SER A 3 -23.763 -20.635 -45.980 1.00 0.00 H new ATOM 0 HB3 SER A 3 -22.526 -21.752 -45.436 1.00 0.00 H new ATOM 0 HG SER A 3 -24.650 -22.672 -45.326 1.00 0.00 H new ATOM 30 N GLY A 4 -22.614 -21.808 -42.241 1.00 0.00 N ATOM 31 CA GLY A 4 -21.949 -22.450 -41.117 1.00 0.00 C ATOM 32 C GLY A 4 -22.096 -21.620 -39.842 1.00 0.00 C ATOM 33 O GLY A 4 -22.832 -20.634 -39.804 1.00 0.00 O ATOM 0 H GLY A 4 -23.533 -22.199 -42.446 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -22.372 -23.442 -40.959 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -20.892 -22.586 -41.346 1.00 0.00 H new ATOM 37 N SER A 5 -21.415 -22.050 -38.783 1.00 0.00 N ATOM 38 CA SER A 5 -21.464 -21.450 -37.458 1.00 0.00 C ATOM 39 C SER A 5 -20.093 -21.641 -36.814 1.00 0.00 C ATOM 40 O SER A 5 -19.484 -22.698 -37.002 1.00 0.00 O ATOM 41 CB SER A 5 -22.568 -22.141 -36.642 1.00 0.00 C ATOM 42 OG SER A 5 -22.481 -23.556 -36.738 1.00 0.00 O ATOM 0 H SER A 5 -20.792 -22.856 -38.829 1.00 0.00 H new ATOM 0 HA SER A 5 -21.694 -20.386 -37.504 1.00 0.00 H new ATOM 0 HB2 SER A 5 -22.491 -21.841 -35.597 1.00 0.00 H new ATOM 0 HB3 SER A 5 -23.544 -21.811 -36.997 1.00 0.00 H new ATOM 0 HG SER A 5 -23.196 -23.965 -36.207 1.00 0.00 H new ATOM 48 N SER A 6 -19.613 -20.665 -36.046 1.00 0.00 N ATOM 49 CA SER A 6 -18.318 -20.720 -35.384 1.00 0.00 C ATOM 50 C SER A 6 -18.318 -19.768 -34.180 1.00 0.00 C ATOM 51 O SER A 6 -19.284 -19.033 -33.964 1.00 0.00 O ATOM 52 CB SER A 6 -17.223 -20.393 -36.416 1.00 0.00 C ATOM 53 OG SER A 6 -17.518 -19.216 -37.148 1.00 0.00 O ATOM 0 H SER A 6 -20.124 -19.801 -35.865 1.00 0.00 H new ATOM 0 HA SER A 6 -18.113 -21.717 -34.994 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.268 -20.272 -35.905 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.112 -21.230 -37.105 1.00 0.00 H new ATOM 0 HG SER A 6 -16.799 -19.042 -37.791 1.00 0.00 H new ATOM 59 N GLY A 7 -17.230 -19.783 -33.403 1.00 0.00 N ATOM 60 CA GLY A 7 -17.111 -19.038 -32.156 1.00 0.00 C ATOM 61 C GLY A 7 -17.646 -19.856 -30.983 1.00 0.00 C ATOM 62 O GLY A 7 -18.147 -20.966 -31.161 1.00 0.00 O ATOM 0 H GLY A 7 -16.396 -20.324 -33.631 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.067 -18.780 -31.979 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.662 -18.101 -32.233 1.00 0.00 H new ATOM 66 N TYR A 8 -17.478 -19.327 -29.774 1.00 0.00 N ATOM 67 CA TYR A 8 -17.924 -19.894 -28.508 1.00 0.00 C ATOM 68 C TYR A 8 -17.885 -18.769 -27.467 1.00 0.00 C ATOM 69 O TYR A 8 -17.431 -17.660 -27.765 1.00 0.00 O ATOM 70 CB TYR A 8 -17.016 -21.067 -28.083 1.00 0.00 C ATOM 71 CG TYR A 8 -15.571 -20.679 -27.819 1.00 0.00 C ATOM 72 CD1 TYR A 8 -14.661 -20.596 -28.891 1.00 0.00 C ATOM 73 CD2 TYR A 8 -15.145 -20.367 -26.512 1.00 0.00 C ATOM 74 CE1 TYR A 8 -13.338 -20.182 -28.666 1.00 0.00 C ATOM 75 CE2 TYR A 8 -13.824 -19.946 -26.279 1.00 0.00 C ATOM 76 CZ TYR A 8 -12.918 -19.845 -27.359 1.00 0.00 C ATOM 77 OH TYR A 8 -11.628 -19.470 -27.142 1.00 0.00 O ATOM 0 H TYR A 8 -16.997 -18.437 -29.646 1.00 0.00 H new ATOM 0 HA TYR A 8 -18.934 -20.292 -28.602 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -17.428 -21.521 -27.182 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -17.038 -21.829 -28.862 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -14.982 -20.852 -29.890 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -15.836 -20.452 -25.686 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -12.643 -20.121 -29.490 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -13.502 -19.700 -25.278 1.00 0.00 H new ATOM 0 HH TYR A 8 -11.501 -19.270 -26.191 1.00 0.00 H new ATOM 87 N SER A 9 -18.321 -19.060 -26.246 1.00 0.00 N ATOM 88 CA SER A 9 -18.058 -18.277 -25.047 1.00 0.00 C ATOM 89 C SER A 9 -18.280 -19.202 -23.840 1.00 0.00 C ATOM 90 O SER A 9 -18.518 -20.400 -24.023 1.00 0.00 O ATOM 91 CB SER A 9 -18.945 -17.019 -25.034 1.00 0.00 C ATOM 92 OG SER A 9 -20.316 -17.323 -25.230 1.00 0.00 O ATOM 0 H SER A 9 -18.892 -19.884 -26.058 1.00 0.00 H new ATOM 0 HA SER A 9 -17.032 -17.910 -25.013 1.00 0.00 H new ATOM 0 HB2 SER A 9 -18.823 -16.501 -24.083 1.00 0.00 H new ATOM 0 HB3 SER A 9 -18.612 -16.335 -25.814 1.00 0.00 H new ATOM 0 HG SER A 9 -20.840 -16.495 -25.212 1.00 0.00 H new ATOM 98 N GLY A 10 -18.223 -18.669 -22.618 1.00 0.00 N ATOM 99 CA GLY A 10 -18.695 -19.366 -21.429 1.00 0.00 C ATOM 100 C GLY A 10 -17.542 -19.929 -20.622 1.00 0.00 C ATOM 101 O GLY A 10 -17.263 -21.124 -20.701 1.00 0.00 O ATOM 0 H GLY A 10 -17.847 -17.740 -22.429 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -19.274 -18.681 -20.810 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -19.365 -20.174 -21.722 1.00 0.00 H new ATOM 105 N SER A 11 -16.871 -19.076 -19.852 1.00 0.00 N ATOM 106 CA SER A 11 -15.897 -19.424 -18.826 1.00 0.00 C ATOM 107 C SER A 11 -15.995 -18.359 -17.734 1.00 0.00 C ATOM 108 O SER A 11 -16.327 -17.208 -18.036 1.00 0.00 O ATOM 109 CB SER A 11 -14.484 -19.419 -19.420 1.00 0.00 C ATOM 110 OG SER A 11 -14.202 -20.618 -20.113 1.00 0.00 O ATOM 0 H SER A 11 -17.001 -18.068 -19.933 1.00 0.00 H new ATOM 0 HA SER A 11 -16.097 -20.418 -18.426 1.00 0.00 H new ATOM 0 HB2 SER A 11 -14.378 -18.573 -20.099 1.00 0.00 H new ATOM 0 HB3 SER A 11 -13.755 -19.280 -18.622 1.00 0.00 H new ATOM 0 HG SER A 11 -15.038 -21.010 -20.442 1.00 0.00 H new ATOM 116 N GLN A 12 -15.635 -18.700 -16.497 1.00 0.00 N ATOM 117 CA GLN A 12 -15.450 -17.751 -15.406 1.00 0.00 C ATOM 118 C GLN A 12 -14.248 -18.177 -14.560 1.00 0.00 C ATOM 119 O GLN A 12 -13.599 -19.192 -14.841 1.00 0.00 O ATOM 120 CB GLN A 12 -16.729 -17.603 -14.559 1.00 0.00 C ATOM 121 CG GLN A 12 -17.864 -16.910 -15.320 1.00 0.00 C ATOM 122 CD GLN A 12 -18.965 -16.421 -14.387 1.00 0.00 C ATOM 123 OE1 GLN A 12 -19.754 -17.198 -13.858 1.00 0.00 O ATOM 124 NE2 GLN A 12 -19.063 -15.121 -14.159 1.00 0.00 N ATOM 0 H GLN A 12 -15.461 -19.667 -16.222 1.00 0.00 H new ATOM 0 HA GLN A 12 -15.247 -16.765 -15.825 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -17.062 -18.589 -14.236 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -16.500 -17.033 -13.658 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -17.462 -16.065 -15.879 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -18.287 -17.602 -16.048 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -18.407 -14.475 -14.599 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -19.794 -14.765 -13.544 1.00 0.00 H new ATOM 133 N ALA A 13 -13.938 -17.380 -13.538 1.00 0.00 N ATOM 134 CA ALA A 13 -12.875 -17.627 -12.585 1.00 0.00 C ATOM 135 C ALA A 13 -13.376 -17.305 -11.178 1.00 0.00 C ATOM 136 O ALA A 13 -14.198 -16.398 -11.033 1.00 0.00 O ATOM 137 CB ALA A 13 -11.681 -16.744 -12.938 1.00 0.00 C ATOM 0 H ALA A 13 -14.444 -16.514 -13.351 1.00 0.00 H new ATOM 0 HA ALA A 13 -12.571 -18.673 -12.620 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -10.874 -16.922 -12.227 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.337 -16.983 -13.944 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -11.978 -15.696 -12.895 1.00 0.00 H new ATOM 143 N PRO A 14 -12.843 -17.957 -10.136 1.00 0.00 N ATOM 144 CA PRO A 14 -13.169 -17.642 -8.754 1.00 0.00 C ATOM 145 C PRO A 14 -12.610 -16.271 -8.354 1.00 0.00 C ATOM 146 O PRO A 14 -13.230 -15.553 -7.559 1.00 0.00 O ATOM 147 CB PRO A 14 -12.534 -18.779 -7.948 1.00 0.00 C ATOM 148 CG PRO A 14 -11.316 -19.156 -8.779 1.00 0.00 C ATOM 149 CD PRO A 14 -11.821 -18.987 -10.205 1.00 0.00 C ATOM 0 HA PRO A 14 -14.243 -17.572 -8.579 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -12.253 -18.454 -6.946 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -13.217 -19.620 -7.831 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -10.466 -18.506 -8.570 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -10.992 -20.178 -8.582 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -11.013 -18.694 -10.875 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -12.231 -19.921 -10.589 1.00 0.00 H new ATOM 157 N GLY A 15 -11.462 -15.879 -8.920 1.00 0.00 N ATOM 158 CA GLY A 15 -10.731 -14.709 -8.486 1.00 0.00 C ATOM 159 C GLY A 15 -9.881 -15.024 -7.261 1.00 0.00 C ATOM 160 O GLY A 15 -9.776 -16.174 -6.825 1.00 0.00 O ATOM 0 H GLY A 15 -11.022 -16.375 -9.695 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -10.093 -14.353 -9.295 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -11.429 -13.905 -8.253 1.00 0.00 H new ATOM 164 N GLY A 16 -9.283 -13.975 -6.705 1.00 0.00 N ATOM 165 CA GLY A 16 -8.454 -14.026 -5.517 1.00 0.00 C ATOM 166 C GLY A 16 -6.988 -13.840 -5.871 1.00 0.00 C ATOM 167 O GLY A 16 -6.546 -14.217 -6.958 1.00 0.00 O ATOM 0 H GLY A 16 -9.369 -13.033 -7.088 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -8.765 -13.250 -4.818 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -8.592 -14.983 -5.013 1.00 0.00 H new ATOM 171 N ILE A 17 -6.221 -13.275 -4.934 1.00 0.00 N ATOM 172 CA ILE A 17 -4.826 -12.907 -5.158 1.00 0.00 C ATOM 173 C ILE A 17 -4.013 -14.115 -5.623 1.00 0.00 C ATOM 174 O ILE A 17 -3.210 -13.997 -6.544 1.00 0.00 O ATOM 175 CB ILE A 17 -4.232 -12.230 -3.897 1.00 0.00 C ATOM 176 CG1 ILE A 17 -2.776 -11.749 -4.081 1.00 0.00 C ATOM 177 CG2 ILE A 17 -4.289 -13.135 -2.651 1.00 0.00 C ATOM 178 CD1 ILE A 17 -2.580 -10.730 -5.206 1.00 0.00 C ATOM 0 H ILE A 17 -6.555 -13.060 -3.995 1.00 0.00 H new ATOM 0 HA ILE A 17 -4.777 -12.173 -5.962 1.00 0.00 H new ATOM 0 HB ILE A 17 -4.870 -11.359 -3.745 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -2.432 -11.309 -3.145 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.143 -12.614 -4.278 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -3.859 -12.608 -1.799 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -5.326 -13.391 -2.434 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -3.722 -14.047 -2.837 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.529 -10.449 -5.263 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -2.890 -11.170 -6.154 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.182 -9.844 -5.004 1.00 0.00 H new ATOM 190 N GLN A 18 -4.228 -15.291 -5.027 1.00 0.00 N ATOM 191 CA GLN A 18 -3.367 -16.433 -5.288 1.00 0.00 C ATOM 192 C GLN A 18 -3.495 -16.924 -6.736 1.00 0.00 C ATOM 193 O GLN A 18 -2.565 -17.524 -7.266 1.00 0.00 O ATOM 194 CB GLN A 18 -3.640 -17.543 -4.258 1.00 0.00 C ATOM 195 CG GLN A 18 -2.321 -18.248 -3.932 1.00 0.00 C ATOM 196 CD GLN A 18 -2.439 -19.283 -2.817 1.00 0.00 C ATOM 197 OE1 GLN A 18 -2.464 -20.485 -3.068 1.00 0.00 O ATOM 198 NE2 GLN A 18 -2.461 -18.855 -1.569 1.00 0.00 N ATOM 0 H GLN A 18 -4.985 -15.470 -4.367 1.00 0.00 H new ATOM 0 HA GLN A 18 -2.329 -16.122 -5.173 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.075 -17.119 -3.353 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.362 -18.257 -4.655 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -1.948 -18.737 -4.832 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -1.581 -17.501 -3.646 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -2.440 -17.854 -1.373 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -2.499 -19.525 -0.801 1.00 0.00 H new ATOM 207 N GLU A 19 -4.614 -16.634 -7.397 1.00 0.00 N ATOM 208 CA GLU A 19 -4.863 -16.967 -8.786 1.00 0.00 C ATOM 209 C GLU A 19 -4.268 -15.918 -9.732 1.00 0.00 C ATOM 210 O GLU A 19 -3.897 -16.249 -10.855 1.00 0.00 O ATOM 211 CB GLU A 19 -6.375 -17.094 -8.953 1.00 0.00 C ATOM 212 CG GLU A 19 -6.761 -17.504 -10.370 1.00 0.00 C ATOM 213 CD GLU A 19 -8.231 -17.895 -10.399 1.00 0.00 C ATOM 214 OE1 GLU A 19 -9.073 -16.973 -10.497 1.00 0.00 O ATOM 215 OE2 GLU A 19 -8.509 -19.116 -10.306 1.00 0.00 O ATOM 0 H GLU A 19 -5.395 -16.144 -6.960 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.376 -17.906 -9.048 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.757 -17.830 -8.246 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -6.848 -16.143 -8.709 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.578 -16.681 -11.061 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -6.144 -18.340 -10.699 1.00 0.00 H new ATOM 222 N ILE A 20 -4.132 -14.663 -9.300 1.00 0.00 N ATOM 223 CA ILE A 20 -3.369 -13.653 -10.027 1.00 0.00 C ATOM 224 C ILE A 20 -1.900 -14.082 -9.997 1.00 0.00 C ATOM 225 O ILE A 20 -1.255 -14.189 -11.042 1.00 0.00 O ATOM 226 CB ILE A 20 -3.599 -12.261 -9.394 1.00 0.00 C ATOM 227 CG1 ILE A 20 -5.088 -11.853 -9.365 1.00 0.00 C ATOM 228 CG2 ILE A 20 -2.751 -11.178 -10.069 1.00 0.00 C ATOM 229 CD1 ILE A 20 -5.774 -11.759 -10.731 1.00 0.00 C ATOM 0 H ILE A 20 -4.549 -14.320 -8.435 1.00 0.00 H new ATOM 0 HA ILE A 20 -3.692 -13.572 -11.065 1.00 0.00 H new ATOM 0 HB ILE A 20 -3.272 -12.349 -8.358 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -5.632 -12.573 -8.754 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -5.172 -10.886 -8.869 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.943 -10.216 -9.594 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.695 -11.428 -9.968 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -3.011 -11.119 -11.126 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -6.815 -11.466 -10.596 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.264 -11.015 -11.344 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -5.732 -12.729 -11.227 1.00 0.00 H new ATOM 241 N VAL A 21 -1.398 -14.390 -8.799 1.00 0.00 N ATOM 242 CA VAL A 21 -0.049 -14.871 -8.541 1.00 0.00 C ATOM 243 C VAL A 21 0.231 -16.143 -9.351 1.00 0.00 C ATOM 244 O VAL A 21 1.354 -16.336 -9.818 1.00 0.00 O ATOM 245 CB VAL A 21 0.092 -15.137 -7.028 1.00 0.00 C ATOM 246 CG1 VAL A 21 1.481 -15.660 -6.670 1.00 0.00 C ATOM 247 CG2 VAL A 21 -0.179 -13.922 -6.120 1.00 0.00 C ATOM 0 H VAL A 21 -1.951 -14.305 -7.946 1.00 0.00 H new ATOM 0 HA VAL A 21 0.680 -14.121 -8.848 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.681 -15.881 -6.839 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.538 -15.834 -5.596 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.666 -16.595 -7.200 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.232 -14.925 -6.959 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.054 -14.212 -5.077 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.523 -13.124 -6.361 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.198 -13.569 -6.279 1.00 0.00 H new ATOM 257 N ALA A 22 -0.771 -17.008 -9.527 1.00 0.00 N ATOM 258 CA ALA A 22 -0.616 -18.259 -10.260 1.00 0.00 C ATOM 259 C ALA A 22 -0.150 -17.977 -11.685 1.00 0.00 C ATOM 260 O ALA A 22 0.777 -18.609 -12.189 1.00 0.00 O ATOM 261 CB ALA A 22 -1.951 -19.010 -10.304 1.00 0.00 C ATOM 0 H ALA A 22 -1.712 -16.857 -9.163 1.00 0.00 H new ATOM 0 HA ALA A 22 0.128 -18.871 -9.750 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.826 -19.943 -10.853 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.279 -19.229 -9.288 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.699 -18.393 -10.802 1.00 0.00 H new ATOM 267 N MET A 23 -0.810 -17.010 -12.315 1.00 0.00 N ATOM 268 CA MET A 23 -0.591 -16.626 -13.696 1.00 0.00 C ATOM 269 C MET A 23 0.687 -15.791 -13.855 1.00 0.00 C ATOM 270 O MET A 23 1.196 -15.652 -14.967 1.00 0.00 O ATOM 271 CB MET A 23 -1.794 -15.796 -14.156 1.00 0.00 C ATOM 272 CG MET A 23 -3.183 -16.393 -13.885 1.00 0.00 C ATOM 273 SD MET A 23 -4.155 -16.784 -15.361 1.00 0.00 S ATOM 274 CE MET A 23 -5.596 -17.582 -14.609 1.00 0.00 C ATOM 0 H MET A 23 -1.535 -16.457 -11.858 1.00 0.00 H new ATOM 0 HA MET A 23 -0.477 -17.527 -14.298 1.00 0.00 H new ATOM 0 HB2 MET A 23 -1.741 -14.821 -13.671 1.00 0.00 H new ATOM 0 HB3 MET A 23 -1.700 -15.624 -15.228 1.00 0.00 H new ATOM 0 HG2 MET A 23 -3.061 -17.303 -13.298 1.00 0.00 H new ATOM 0 HG3 MET A 23 -3.749 -15.692 -13.272 1.00 0.00 H new ATOM 0 HE1 MET A 23 -6.294 -17.883 -15.390 1.00 0.00 H new ATOM 0 HE2 MET A 23 -5.275 -18.461 -14.050 1.00 0.00 H new ATOM 0 HE3 MET A 23 -6.088 -16.882 -13.933 1.00 0.00 H new ATOM 284 N SER A 24 1.183 -15.209 -12.758 1.00 0.00 N ATOM 285 CA SER A 24 2.233 -14.205 -12.770 1.00 0.00 C ATOM 286 C SER A 24 3.516 -14.752 -13.407 1.00 0.00 C ATOM 287 O SER A 24 3.862 -15.923 -13.180 1.00 0.00 O ATOM 288 CB SER A 24 2.488 -13.760 -11.326 1.00 0.00 C ATOM 289 OG SER A 24 3.390 -12.678 -11.200 1.00 0.00 O ATOM 0 H SER A 24 0.853 -15.433 -11.819 1.00 0.00 H new ATOM 0 HA SER A 24 1.918 -13.353 -13.372 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.538 -13.480 -10.871 1.00 0.00 H new ATOM 0 HB3 SER A 24 2.875 -14.608 -10.760 1.00 0.00 H new ATOM 0 HG SER A 24 4.293 -12.975 -11.438 1.00 0.00 H new ATOM 295 N PRO A 25 4.258 -13.898 -14.130 1.00 0.00 N ATOM 296 CA PRO A 25 5.637 -14.155 -14.497 1.00 0.00 C ATOM 297 C PRO A 25 6.525 -14.018 -13.254 1.00 0.00 C ATOM 298 O PRO A 25 6.045 -13.710 -12.156 1.00 0.00 O ATOM 299 CB PRO A 25 5.952 -13.117 -15.575 1.00 0.00 C ATOM 300 CG PRO A 25 5.140 -11.906 -15.133 1.00 0.00 C ATOM 301 CD PRO A 25 3.897 -12.530 -14.498 1.00 0.00 C ATOM 0 HA PRO A 25 5.814 -15.161 -14.879 1.00 0.00 H new ATOM 0 HB2 PRO A 25 7.018 -12.893 -15.621 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.656 -13.462 -16.566 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.690 -11.291 -14.421 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.882 -11.265 -15.976 1.00 0.00 H new ATOM 0 HD2 PRO A 25 3.584 -11.963 -13.622 1.00 0.00 H new ATOM 0 HD3 PRO A 25 3.061 -12.525 -15.197 1.00 0.00 H new ATOM 309 N GLU A 26 7.821 -14.272 -13.424 1.00 0.00 N ATOM 310 CA GLU A 26 8.823 -14.123 -12.384 1.00 0.00 C ATOM 311 C GLU A 26 8.948 -12.653 -11.979 1.00 0.00 C ATOM 312 O GLU A 26 9.522 -11.833 -12.703 1.00 0.00 O ATOM 313 CB GLU A 26 10.164 -14.731 -12.838 1.00 0.00 C ATOM 314 CG GLU A 26 10.516 -15.895 -11.914 1.00 0.00 C ATOM 315 CD GLU A 26 11.712 -16.740 -12.335 1.00 0.00 C ATOM 316 OE1 GLU A 26 12.870 -16.306 -12.155 1.00 0.00 O ATOM 317 OE2 GLU A 26 11.500 -17.908 -12.731 1.00 0.00 O ATOM 0 H GLU A 26 8.207 -14.594 -14.311 1.00 0.00 H new ATOM 0 HA GLU A 26 8.512 -14.674 -11.497 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.092 -15.077 -13.869 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.949 -13.976 -12.809 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.709 -15.497 -10.918 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.646 -16.546 -11.834 1.00 0.00 H new ATOM 324 N LEU A 27 8.371 -12.305 -10.834 1.00 0.00 N ATOM 325 CA LEU A 27 8.402 -10.972 -10.257 1.00 0.00 C ATOM 326 C LEU A 27 9.620 -10.873 -9.359 1.00 0.00 C ATOM 327 O LEU A 27 9.631 -11.428 -8.262 1.00 0.00 O ATOM 328 CB LEU A 27 7.088 -10.695 -9.533 1.00 0.00 C ATOM 329 CG LEU A 27 6.208 -9.738 -10.339 1.00 0.00 C ATOM 330 CD1 LEU A 27 5.911 -10.256 -11.749 1.00 0.00 C ATOM 331 CD2 LEU A 27 4.909 -9.574 -9.574 1.00 0.00 C ATOM 0 H LEU A 27 7.850 -12.971 -10.263 1.00 0.00 H new ATOM 0 HA LEU A 27 8.493 -10.203 -11.024 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.556 -11.632 -9.367 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.293 -10.267 -8.552 1.00 0.00 H new ATOM 0 HG LEU A 27 6.734 -8.791 -10.461 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.283 -9.537 -12.276 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.846 -10.388 -12.293 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.392 -11.212 -11.683 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.250 -8.896 -10.117 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.424 -10.544 -9.468 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.118 -9.163 -8.586 1.00 0.00 H new ATOM 343 N ASP A 28 10.655 -10.201 -9.870 1.00 0.00 N ATOM 344 CA ASP A 28 11.947 -10.013 -9.220 1.00 0.00 C ATOM 345 C ASP A 28 11.770 -9.418 -7.835 1.00 0.00 C ATOM 346 O ASP A 28 11.567 -8.209 -7.688 1.00 0.00 O ATOM 347 CB ASP A 28 12.852 -9.100 -10.043 1.00 0.00 C ATOM 348 CG ASP A 28 14.290 -9.243 -9.546 1.00 0.00 C ATOM 349 OD1 ASP A 28 14.679 -8.553 -8.576 1.00 0.00 O ATOM 350 OD2 ASP A 28 15.025 -10.062 -10.137 1.00 0.00 O ATOM 0 H ASP A 28 10.610 -9.756 -10.787 1.00 0.00 H new ATOM 0 HA ASP A 28 12.414 -10.995 -9.138 1.00 0.00 H new ATOM 0 HB2 ASP A 28 12.791 -9.363 -11.099 1.00 0.00 H new ATOM 0 HB3 ASP A 28 12.524 -8.064 -9.953 1.00 0.00 H new ATOM 355 N THR A 29 11.789 -10.274 -6.821 1.00 0.00 N ATOM 356 CA THR A 29 11.418 -9.890 -5.478 1.00 0.00 C ATOM 357 C THR A 29 12.323 -8.753 -5.019 1.00 0.00 C ATOM 358 O THR A 29 11.819 -7.763 -4.493 1.00 0.00 O ATOM 359 CB THR A 29 11.442 -11.118 -4.556 1.00 0.00 C ATOM 360 OG1 THR A 29 12.677 -11.810 -4.616 1.00 0.00 O ATOM 361 CG2 THR A 29 10.350 -12.116 -4.953 1.00 0.00 C ATOM 0 H THR A 29 12.063 -11.252 -6.913 1.00 0.00 H new ATOM 0 HA THR A 29 10.396 -9.513 -5.445 1.00 0.00 H new ATOM 0 HB THR A 29 11.282 -10.737 -3.547 1.00 0.00 H new ATOM 0 HG1 THR A 29 12.604 -12.653 -4.121 1.00 0.00 H new ATOM 0 HG21 THR A 29 10.385 -12.978 -4.287 1.00 0.00 H new ATOM 0 HG22 THR A 29 9.374 -11.637 -4.875 1.00 0.00 H new ATOM 0 HG23 THR A 29 10.513 -12.444 -5.980 1.00 0.00 H new ATOM 369 N TYR A 30 13.633 -8.864 -5.266 1.00 0.00 N ATOM 370 CA TYR A 30 14.600 -7.867 -4.885 1.00 0.00 C ATOM 371 C TYR A 30 14.269 -6.502 -5.470 1.00 0.00 C ATOM 372 O TYR A 30 14.055 -5.564 -4.705 1.00 0.00 O ATOM 373 CB TYR A 30 15.997 -8.325 -5.286 1.00 0.00 C ATOM 374 CG TYR A 30 17.043 -7.649 -4.448 1.00 0.00 C ATOM 375 CD1 TYR A 30 17.108 -7.995 -3.092 1.00 0.00 C ATOM 376 CD2 TYR A 30 17.913 -6.687 -4.988 1.00 0.00 C ATOM 377 CE1 TYR A 30 18.101 -7.443 -2.276 1.00 0.00 C ATOM 378 CE2 TYR A 30 18.909 -6.116 -4.176 1.00 0.00 C ATOM 379 CZ TYR A 30 19.023 -6.530 -2.830 1.00 0.00 C ATOM 380 OH TYR A 30 20.073 -6.131 -2.073 1.00 0.00 O ATOM 0 H TYR A 30 14.042 -9.667 -5.744 1.00 0.00 H new ATOM 0 HA TYR A 30 14.567 -7.753 -3.801 1.00 0.00 H new ATOM 0 HB2 TYR A 30 16.076 -9.406 -5.172 1.00 0.00 H new ATOM 0 HB3 TYR A 30 16.169 -8.102 -6.339 1.00 0.00 H new ATOM 0 HD1 TYR A 30 16.391 -8.688 -2.677 1.00 0.00 H new ATOM 0 HD2 TYR A 30 17.817 -6.388 -6.021 1.00 0.00 H new ATOM 0 HE1 TYR A 30 18.161 -7.713 -1.232 1.00 0.00 H new ATOM 0 HE2 TYR A 30 19.579 -5.370 -4.577 1.00 0.00 H new ATOM 0 HH TYR A 30 20.625 -5.503 -2.584 1.00 0.00 H new ATOM 390 N SER A 31 14.204 -6.388 -6.795 1.00 0.00 N ATOM 391 CA SER A 31 13.966 -5.140 -7.504 1.00 0.00 C ATOM 392 C SER A 31 12.655 -4.497 -7.044 1.00 0.00 C ATOM 393 O SER A 31 12.626 -3.292 -6.800 1.00 0.00 O ATOM 394 CB SER A 31 13.979 -5.442 -9.010 1.00 0.00 C ATOM 395 OG SER A 31 14.316 -4.300 -9.763 1.00 0.00 O ATOM 0 H SER A 31 14.319 -7.186 -7.420 1.00 0.00 H new ATOM 0 HA SER A 31 14.749 -4.414 -7.284 1.00 0.00 H new ATOM 0 HB2 SER A 31 14.694 -6.239 -9.216 1.00 0.00 H new ATOM 0 HB3 SER A 31 12.999 -5.806 -9.318 1.00 0.00 H new ATOM 0 HG SER A 31 14.317 -4.526 -10.717 1.00 0.00 H new ATOM 401 N ILE A 32 11.601 -5.293 -6.836 1.00 0.00 N ATOM 402 CA ILE A 32 10.332 -4.819 -6.295 1.00 0.00 C ATOM 403 C ILE A 32 10.592 -4.297 -4.876 1.00 0.00 C ATOM 404 O ILE A 32 10.306 -3.133 -4.633 1.00 0.00 O ATOM 405 CB ILE A 32 9.284 -5.957 -6.383 1.00 0.00 C ATOM 406 CG1 ILE A 32 9.007 -6.299 -7.865 1.00 0.00 C ATOM 407 CG2 ILE A 32 7.959 -5.640 -5.665 1.00 0.00 C ATOM 408 CD1 ILE A 32 8.410 -7.694 -8.044 1.00 0.00 C ATOM 0 H ILE A 32 11.609 -6.292 -7.042 1.00 0.00 H new ATOM 0 HA ILE A 32 9.914 -3.991 -6.868 1.00 0.00 H new ATOM 0 HB ILE A 32 9.716 -6.813 -5.865 1.00 0.00 H new ATOM 0 HG12 ILE A 32 8.324 -5.559 -8.283 1.00 0.00 H new ATOM 0 HG13 ILE A 32 9.937 -6.230 -8.430 1.00 0.00 H new ATOM 0 HG21 ILE A 32 7.277 -6.484 -5.771 1.00 0.00 H new ATOM 0 HG22 ILE A 32 8.152 -5.460 -4.607 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.509 -4.752 -6.108 1.00 0.00 H new ATOM 0 HD11 ILE A 32 8.236 -7.882 -9.103 1.00 0.00 H new ATOM 0 HD12 ILE A 32 9.103 -8.439 -7.653 1.00 0.00 H new ATOM 0 HD13 ILE A 32 7.465 -7.758 -7.504 1.00 0.00 H new ATOM 420 N THR A 33 11.166 -5.072 -3.942 1.00 0.00 N ATOM 421 CA THR A 33 11.400 -4.583 -2.575 1.00 0.00 C ATOM 422 C THR A 33 12.202 -3.284 -2.564 1.00 0.00 C ATOM 423 O THR A 33 11.884 -2.378 -1.803 1.00 0.00 O ATOM 424 CB THR A 33 12.090 -5.614 -1.663 1.00 0.00 C ATOM 425 OG1 THR A 33 13.397 -5.970 -2.081 1.00 0.00 O ATOM 426 CG2 THR A 33 11.263 -6.882 -1.457 1.00 0.00 C ATOM 0 H THR A 33 11.474 -6.030 -4.106 1.00 0.00 H new ATOM 0 HA THR A 33 10.404 -4.398 -2.171 1.00 0.00 H new ATOM 0 HB THR A 33 12.176 -5.093 -0.710 1.00 0.00 H new ATOM 0 HG1 THR A 33 13.469 -5.866 -3.053 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.805 -7.568 -0.805 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.308 -6.623 -0.999 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.085 -7.361 -2.420 1.00 0.00 H new ATOM 434 N LYS A 34 13.229 -3.199 -3.409 1.00 0.00 N ATOM 435 CA LYS A 34 14.038 -2.010 -3.601 1.00 0.00 C ATOM 436 C LYS A 34 13.142 -0.837 -3.983 1.00 0.00 C ATOM 437 O LYS A 34 13.044 0.126 -3.232 1.00 0.00 O ATOM 438 CB LYS A 34 15.116 -2.263 -4.668 1.00 0.00 C ATOM 439 CG LYS A 34 16.375 -3.013 -4.204 1.00 0.00 C ATOM 440 CD LYS A 34 17.590 -2.617 -5.066 1.00 0.00 C ATOM 441 CE LYS A 34 17.388 -2.951 -6.550 1.00 0.00 C ATOM 442 NZ LYS A 34 18.359 -2.267 -7.428 1.00 0.00 N ATOM 0 H LYS A 34 13.524 -3.982 -3.993 1.00 0.00 H new ATOM 0 HA LYS A 34 14.548 -1.764 -2.669 1.00 0.00 H new ATOM 0 HB2 LYS A 34 14.664 -2.827 -5.484 1.00 0.00 H new ATOM 0 HB3 LYS A 34 15.423 -1.301 -5.078 1.00 0.00 H new ATOM 0 HG2 LYS A 34 16.575 -2.786 -3.157 1.00 0.00 H new ATOM 0 HG3 LYS A 34 16.210 -4.088 -4.271 1.00 0.00 H new ATOM 0 HD2 LYS A 34 17.775 -1.548 -4.959 1.00 0.00 H new ATOM 0 HD3 LYS A 34 18.477 -3.133 -4.698 1.00 0.00 H new ATOM 0 HE2 LYS A 34 17.474 -4.028 -6.690 1.00 0.00 H new ATOM 0 HE3 LYS A 34 16.377 -2.671 -6.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 18.176 -2.529 -8.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 18.261 -1.237 -7.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 19.324 -2.553 -7.167 1.00 0.00 H new ATOM 456 N ARG A 35 12.448 -0.928 -5.113 1.00 0.00 N ATOM 457 CA ARG A 35 11.624 0.153 -5.623 1.00 0.00 C ATOM 458 C ARG A 35 10.548 0.543 -4.607 1.00 0.00 C ATOM 459 O ARG A 35 10.307 1.720 -4.389 1.00 0.00 O ATOM 460 CB ARG A 35 11.071 -0.318 -6.977 1.00 0.00 C ATOM 461 CG ARG A 35 10.856 0.805 -7.989 1.00 0.00 C ATOM 462 CD ARG A 35 9.421 1.302 -8.041 1.00 0.00 C ATOM 463 NE ARG A 35 9.286 2.098 -9.275 1.00 0.00 N ATOM 464 CZ ARG A 35 8.245 2.671 -9.887 1.00 0.00 C ATOM 465 NH1 ARG A 35 7.014 2.669 -9.396 1.00 0.00 N ATOM 466 NH2 ARG A 35 8.484 3.203 -11.075 1.00 0.00 N ATOM 0 H ARG A 35 12.444 -1.761 -5.702 1.00 0.00 H new ATOM 0 HA ARG A 35 12.194 1.069 -5.777 1.00 0.00 H new ATOM 0 HB2 ARG A 35 11.758 -1.049 -7.403 1.00 0.00 H new ATOM 0 HB3 ARG A 35 10.123 -0.830 -6.812 1.00 0.00 H new ATOM 0 HG2 ARG A 35 11.513 1.639 -7.741 1.00 0.00 H new ATOM 0 HG3 ARG A 35 11.147 0.453 -8.979 1.00 0.00 H new ATOM 0 HD2 ARG A 35 8.723 0.465 -8.043 1.00 0.00 H new ATOM 0 HD3 ARG A 35 9.190 1.907 -7.164 1.00 0.00 H new ATOM 0 HE ARG A 35 10.170 2.241 -9.763 1.00 0.00 H new ATOM 0 HH11 ARG A 35 6.821 2.213 -8.504 1.00 0.00 H new ATOM 0 HH12 ARG A 35 6.259 3.124 -9.910 1.00 0.00 H new ATOM 0 HH21 ARG A 35 9.422 3.161 -11.473 1.00 0.00 H new ATOM 0 HH22 ARG A 35 7.730 3.655 -11.592 1.00 0.00 H new ATOM 480 N VAL A 36 9.944 -0.427 -3.925 1.00 0.00 N ATOM 481 CA VAL A 36 8.923 -0.239 -2.904 1.00 0.00 C ATOM 482 C VAL A 36 9.494 0.567 -1.731 1.00 0.00 C ATOM 483 O VAL A 36 8.896 1.560 -1.324 1.00 0.00 O ATOM 484 CB VAL A 36 8.394 -1.632 -2.499 1.00 0.00 C ATOM 485 CG1 VAL A 36 7.489 -1.580 -1.280 1.00 0.00 C ATOM 486 CG2 VAL A 36 7.544 -2.281 -3.604 1.00 0.00 C ATOM 0 H VAL A 36 10.165 -1.411 -4.078 1.00 0.00 H new ATOM 0 HA VAL A 36 8.081 0.343 -3.279 1.00 0.00 H new ATOM 0 HB VAL A 36 9.297 -2.208 -2.299 1.00 0.00 H new ATOM 0 HG11 VAL A 36 7.145 -2.586 -1.039 1.00 0.00 H new ATOM 0 HG12 VAL A 36 8.042 -1.173 -0.434 1.00 0.00 H new ATOM 0 HG13 VAL A 36 6.629 -0.944 -1.492 1.00 0.00 H new ATOM 0 HG21 VAL A 36 7.197 -3.258 -3.269 1.00 0.00 H new ATOM 0 HG22 VAL A 36 6.685 -1.646 -3.823 1.00 0.00 H new ATOM 0 HG23 VAL A 36 8.147 -2.399 -4.504 1.00 0.00 H new ATOM 496 N LYS A 37 10.644 0.161 -1.180 1.00 0.00 N ATOM 497 CA LYS A 37 11.329 0.891 -0.110 1.00 0.00 C ATOM 498 C LYS A 37 11.548 2.335 -0.520 1.00 0.00 C ATOM 499 O LYS A 37 11.319 3.239 0.279 1.00 0.00 O ATOM 500 CB LYS A 37 12.701 0.252 0.134 1.00 0.00 C ATOM 501 CG LYS A 37 12.660 -0.992 1.020 1.00 0.00 C ATOM 502 CD LYS A 37 14.077 -1.540 1.259 1.00 0.00 C ATOM 503 CE LYS A 37 14.716 -1.991 -0.064 1.00 0.00 C ATOM 504 NZ LYS A 37 16.079 -2.526 0.098 1.00 0.00 N ATOM 0 H LYS A 37 11.128 -0.690 -1.467 1.00 0.00 H new ATOM 0 HA LYS A 37 10.717 0.852 0.791 1.00 0.00 H new ATOM 0 HB2 LYS A 37 13.142 -0.013 -0.827 1.00 0.00 H new ATOM 0 HB3 LYS A 37 13.358 0.991 0.593 1.00 0.00 H new ATOM 0 HG2 LYS A 37 12.194 -0.749 1.975 1.00 0.00 H new ATOM 0 HG3 LYS A 37 12.043 -1.758 0.550 1.00 0.00 H new ATOM 0 HD2 LYS A 37 14.695 -0.772 1.724 1.00 0.00 H new ATOM 0 HD3 LYS A 37 14.035 -2.379 1.953 1.00 0.00 H new ATOM 0 HE2 LYS A 37 14.086 -2.754 -0.522 1.00 0.00 H new ATOM 0 HE3 LYS A 37 14.745 -1.146 -0.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 16.452 -2.812 -0.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 16.693 -1.793 0.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 16.055 -3.351 0.731 1.00 0.00 H new ATOM 518 N GLU A 38 12.008 2.542 -1.746 1.00 0.00 N ATOM 519 CA GLU A 38 12.378 3.858 -2.239 1.00 0.00 C ATOM 520 C GLU A 38 11.150 4.733 -2.393 1.00 0.00 C ATOM 521 O GLU A 38 11.200 5.922 -2.106 1.00 0.00 O ATOM 522 CB GLU A 38 13.184 3.696 -3.539 1.00 0.00 C ATOM 523 CG GLU A 38 14.510 3.092 -3.063 1.00 0.00 C ATOM 524 CD GLU A 38 15.604 2.869 -4.097 1.00 0.00 C ATOM 525 OE1 GLU A 38 15.303 2.431 -5.229 1.00 0.00 O ATOM 526 OE2 GLU A 38 16.795 2.959 -3.706 1.00 0.00 O ATOM 0 H GLU A 38 12.135 1.796 -2.430 1.00 0.00 H new ATOM 0 HA GLU A 38 13.018 4.371 -1.521 1.00 0.00 H new ATOM 0 HB2 GLU A 38 12.676 3.042 -4.248 1.00 0.00 H new ATOM 0 HB3 GLU A 38 13.335 4.652 -4.040 1.00 0.00 H new ATOM 0 HG2 GLU A 38 14.913 3.741 -2.285 1.00 0.00 H new ATOM 0 HG3 GLU A 38 14.291 2.132 -2.596 1.00 0.00 H new ATOM 533 N VAL A 39 10.030 4.156 -2.806 1.00 0.00 N ATOM 534 CA VAL A 39 8.728 4.829 -2.794 1.00 0.00 C ATOM 535 C VAL A 39 8.321 5.188 -1.358 1.00 0.00 C ATOM 536 O VAL A 39 7.862 6.311 -1.141 1.00 0.00 O ATOM 537 CB VAL A 39 7.656 4.007 -3.542 1.00 0.00 C ATOM 538 CG1 VAL A 39 6.252 4.621 -3.424 1.00 0.00 C ATOM 539 CG2 VAL A 39 7.986 3.962 -5.037 1.00 0.00 C ATOM 0 H VAL A 39 9.994 3.201 -3.162 1.00 0.00 H new ATOM 0 HA VAL A 39 8.816 5.767 -3.342 1.00 0.00 H new ATOM 0 HB VAL A 39 7.660 3.017 -3.087 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.538 4.003 -3.968 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.963 4.670 -2.374 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.258 5.626 -3.846 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.226 3.381 -5.560 1.00 0.00 H new ATOM 0 HG22 VAL A 39 8.005 4.976 -5.436 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.961 3.497 -5.180 1.00 0.00 H new ATOM 549 N LEU A 40 8.485 4.291 -0.375 1.00 0.00 N ATOM 550 CA LEU A 40 8.173 4.617 1.016 1.00 0.00 C ATOM 551 C LEU A 40 9.039 5.781 1.487 1.00 0.00 C ATOM 552 O LEU A 40 8.497 6.736 2.033 1.00 0.00 O ATOM 553 CB LEU A 40 8.309 3.427 1.987 1.00 0.00 C ATOM 554 CG LEU A 40 7.322 2.266 1.790 1.00 0.00 C ATOM 555 CD1 LEU A 40 7.707 1.177 2.794 1.00 0.00 C ATOM 556 CD2 LEU A 40 5.862 2.661 2.030 1.00 0.00 C ATOM 0 H LEU A 40 8.830 3.342 -0.520 1.00 0.00 H new ATOM 0 HA LEU A 40 7.120 4.898 1.031 1.00 0.00 H new ATOM 0 HB2 LEU A 40 9.321 3.032 1.903 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.196 3.802 3.004 1.00 0.00 H new ATOM 0 HG LEU A 40 7.387 1.934 0.754 1.00 0.00 H new ATOM 0 HD11 LEU A 40 7.030 0.330 2.689 1.00 0.00 H new ATOM 0 HD12 LEU A 40 8.729 0.850 2.602 1.00 0.00 H new ATOM 0 HD13 LEU A 40 7.637 1.574 3.807 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.220 1.794 1.874 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.745 3.019 3.053 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.580 3.451 1.334 1.00 0.00 H new ATOM 568 N THR A 41 10.353 5.713 1.278 1.00 0.00 N ATOM 569 CA THR A 41 11.296 6.743 1.678 1.00 0.00 C ATOM 570 C THR A 41 10.998 8.068 0.972 1.00 0.00 C ATOM 571 O THR A 41 11.019 9.095 1.649 1.00 0.00 O ATOM 572 CB THR A 41 12.728 6.207 1.475 1.00 0.00 C ATOM 573 OG1 THR A 41 13.100 5.540 2.667 1.00 0.00 O ATOM 574 CG2 THR A 41 13.803 7.260 1.191 1.00 0.00 C ATOM 0 H THR A 41 10.796 4.920 0.815 1.00 0.00 H new ATOM 0 HA THR A 41 11.193 6.976 2.738 1.00 0.00 H new ATOM 0 HB THR A 41 12.687 5.573 0.589 1.00 0.00 H new ATOM 0 HG1 THR A 41 14.008 5.184 2.573 1.00 0.00 H new ATOM 0 HG21 THR A 41 14.768 6.770 1.066 1.00 0.00 H new ATOM 0 HG22 THR A 41 13.550 7.801 0.279 1.00 0.00 H new ATOM 0 HG23 THR A 41 13.857 7.959 2.025 1.00 0.00 H new ATOM 582 N ASP A 42 10.702 8.089 -0.334 1.00 0.00 N ATOM 583 CA ASP A 42 10.466 9.341 -1.069 1.00 0.00 C ATOM 584 C ASP A 42 9.328 10.107 -0.409 1.00 0.00 C ATOM 585 O ASP A 42 9.434 11.284 -0.079 1.00 0.00 O ATOM 586 CB ASP A 42 10.103 9.081 -2.544 1.00 0.00 C ATOM 587 CG ASP A 42 10.744 10.141 -3.429 1.00 0.00 C ATOM 588 OD1 ASP A 42 11.958 10.009 -3.709 1.00 0.00 O ATOM 589 OD2 ASP A 42 10.038 11.082 -3.849 1.00 0.00 O ATOM 0 H ASP A 42 10.620 7.249 -0.907 1.00 0.00 H new ATOM 0 HA ASP A 42 11.389 9.921 -1.042 1.00 0.00 H new ATOM 0 HB2 ASP A 42 10.445 8.090 -2.843 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.020 9.096 -2.669 1.00 0.00 H new ATOM 594 N ASN A 43 8.243 9.378 -0.156 1.00 0.00 N ATOM 595 CA ASN A 43 7.013 9.878 0.426 1.00 0.00 C ATOM 596 C ASN A 43 7.067 9.911 1.960 1.00 0.00 C ATOM 597 O ASN A 43 6.059 10.223 2.593 1.00 0.00 O ATOM 598 CB ASN A 43 5.880 8.994 -0.102 1.00 0.00 C ATOM 599 CG ASN A 43 5.726 9.160 -1.604 1.00 0.00 C ATOM 600 OD1 ASN A 43 5.191 10.163 -2.047 1.00 0.00 O ATOM 601 ND2 ASN A 43 6.208 8.225 -2.406 1.00 0.00 N ATOM 0 H ASN A 43 8.202 8.380 -0.362 1.00 0.00 H new ATOM 0 HA ASN A 43 6.848 10.915 0.135 1.00 0.00 H new ATOM 0 HB2 ASN A 43 6.086 7.950 0.134 1.00 0.00 H new ATOM 0 HB3 ASN A 43 4.946 9.255 0.396 1.00 0.00 H new ATOM 0 HD21 ASN A 43 6.136 8.334 -3.418 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.651 7.395 -2.013 1.00 0.00 H new ATOM 608 N ASN A 44 8.225 9.611 2.566 1.00 0.00 N ATOM 609 CA ASN A 44 8.511 9.553 4.009 1.00 0.00 C ATOM 610 C ASN A 44 7.571 8.661 4.836 1.00 0.00 C ATOM 611 O ASN A 44 7.490 8.767 6.066 1.00 0.00 O ATOM 612 CB ASN A 44 8.690 10.967 4.578 1.00 0.00 C ATOM 613 CG ASN A 44 10.110 11.428 4.330 1.00 0.00 C ATOM 614 OD1 ASN A 44 11.020 10.939 5.000 1.00 0.00 O ATOM 615 ND2 ASN A 44 10.326 12.296 3.357 1.00 0.00 N ATOM 0 H ASN A 44 9.053 9.384 2.016 1.00 0.00 H new ATOM 0 HA ASN A 44 9.461 9.028 4.107 1.00 0.00 H new ATOM 0 HB2 ASN A 44 7.985 11.653 4.108 1.00 0.00 H new ATOM 0 HB3 ASN A 44 8.475 10.972 5.647 1.00 0.00 H new ATOM 0 HD21 ASN A 44 11.278 12.587 3.135 1.00 0.00 H new ATOM 0 HD22 ASN A 44 9.541 12.675 2.828 1.00 0.00 H new ATOM 622 N LEU A 45 6.915 7.721 4.168 1.00 0.00 N ATOM 623 CA LEU A 45 5.972 6.753 4.703 1.00 0.00 C ATOM 624 C LEU A 45 6.669 5.770 5.645 1.00 0.00 C ATOM 625 O LEU A 45 7.891 5.584 5.612 1.00 0.00 O ATOM 626 CB LEU A 45 5.377 5.983 3.518 1.00 0.00 C ATOM 627 CG LEU A 45 4.591 6.842 2.514 1.00 0.00 C ATOM 628 CD1 LEU A 45 4.354 6.025 1.245 1.00 0.00 C ATOM 629 CD2 LEU A 45 3.252 7.319 3.078 1.00 0.00 C ATOM 0 H LEU A 45 7.039 7.609 3.162 1.00 0.00 H new ATOM 0 HA LEU A 45 5.198 7.270 5.270 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.186 5.480 2.988 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.717 5.206 3.904 1.00 0.00 H new ATOM 0 HG LEU A 45 5.182 7.731 2.296 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.797 6.624 0.525 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.313 5.737 0.813 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.783 5.129 1.490 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.736 7.921 2.330 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.638 6.456 3.336 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.426 7.920 3.971 1.00 0.00 H new ATOM 641 N GLY A 46 5.861 5.076 6.441 1.00 0.00 N ATOM 642 CA GLY A 46 6.252 4.114 7.455 1.00 0.00 C ATOM 643 C GLY A 46 5.873 2.711 7.018 1.00 0.00 C ATOM 644 O GLY A 46 4.684 2.456 6.833 1.00 0.00 O ATOM 0 H GLY A 46 4.848 5.181 6.387 1.00 0.00 H new ATOM 0 HA2 GLY A 46 7.327 4.172 7.627 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.765 4.353 8.401 1.00 0.00 H new ATOM 648 N GLN A 47 6.852 1.815 6.845 1.00 0.00 N ATOM 649 CA GLN A 47 6.704 0.462 6.288 1.00 0.00 C ATOM 650 C GLN A 47 5.441 -0.271 6.752 1.00 0.00 C ATOM 651 O GLN A 47 4.787 -0.929 5.945 1.00 0.00 O ATOM 652 CB GLN A 47 7.918 -0.392 6.697 1.00 0.00 C ATOM 653 CG GLN A 47 9.146 -0.141 5.826 1.00 0.00 C ATOM 654 CD GLN A 47 10.410 -0.659 6.491 1.00 0.00 C ATOM 655 OE1 GLN A 47 10.866 -1.838 6.122 1.00 0.00 O flip ATOM 656 NE2 GLN A 47 10.962 0.003 7.368 1.00 0.00 N flip ATOM 0 H GLN A 47 7.817 2.023 7.102 1.00 0.00 H new ATOM 0 HA GLN A 47 6.630 0.591 5.208 1.00 0.00 H new ATOM 0 HB2 GLN A 47 8.168 -0.183 7.737 1.00 0.00 H new ATOM 0 HB3 GLN A 47 7.649 -1.447 6.640 1.00 0.00 H new ATOM 0 HG2 GLN A 47 9.015 -0.628 4.860 1.00 0.00 H new ATOM 0 HG3 GLN A 47 9.246 0.927 5.633 1.00 0.00 H new ATOM 0 HE21 GLN A 47 10.586 0.913 7.633 1.00 0.00 H new ATOM 0 HE22 GLN A 47 11.796 -0.358 7.831 1.00 0.00 H new ATOM 665 N ARG A 48 5.126 -0.193 8.051 1.00 0.00 N ATOM 666 CA ARG A 48 4.012 -0.917 8.655 1.00 0.00 C ATOM 667 C ARG A 48 2.716 -0.692 7.910 1.00 0.00 C ATOM 668 O ARG A 48 1.993 -1.639 7.669 1.00 0.00 O ATOM 669 CB ARG A 48 3.818 -0.466 10.104 1.00 0.00 C ATOM 670 CG ARG A 48 2.773 -1.327 10.818 1.00 0.00 C ATOM 671 CD ARG A 48 2.675 -0.969 12.298 1.00 0.00 C ATOM 672 NE ARG A 48 1.955 -2.012 13.038 1.00 0.00 N ATOM 673 CZ ARG A 48 1.928 -2.119 14.370 1.00 0.00 C ATOM 674 NH1 ARG A 48 2.476 -1.177 15.134 1.00 0.00 N ATOM 675 NH2 ARG A 48 1.358 -3.165 14.943 1.00 0.00 N ATOM 0 H ARG A 48 5.645 0.382 8.715 1.00 0.00 H new ATOM 0 HA ARG A 48 4.261 -1.977 8.609 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.767 -0.526 10.636 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.507 0.579 10.124 1.00 0.00 H new ATOM 0 HG2 ARG A 48 1.801 -1.190 10.344 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.034 -2.380 10.713 1.00 0.00 H new ATOM 0 HD2 ARG A 48 3.675 -0.845 12.714 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.162 -0.014 12.413 1.00 0.00 H new ATOM 0 HE ARG A 48 1.438 -2.705 12.497 1.00 0.00 H new ATOM 0 HH11 ARG A 48 2.921 -0.366 14.704 1.00 0.00 H new ATOM 0 HH12 ARG A 48 2.451 -1.266 16.150 1.00 0.00 H new ATOM 0 HH21 ARG A 48 0.936 -3.895 14.368 1.00 0.00 H new ATOM 0 HH22 ARG A 48 1.340 -3.243 15.960 1.00 0.00 H new ATOM 689 N LEU A 49 2.403 0.558 7.605 1.00 0.00 N ATOM 690 CA LEU A 49 1.113 0.987 7.104 1.00 0.00 C ATOM 691 C LEU A 49 0.856 0.331 5.757 1.00 0.00 C ATOM 692 O LEU A 49 -0.163 -0.322 5.555 1.00 0.00 O ATOM 693 CB LEU A 49 1.188 2.515 7.026 1.00 0.00 C ATOM 694 CG LEU A 49 -0.171 3.186 7.134 1.00 0.00 C ATOM 695 CD1 LEU A 49 0.056 4.661 7.466 1.00 0.00 C ATOM 696 CD2 LEU A 49 -0.989 3.080 5.869 1.00 0.00 C ATOM 0 H LEU A 49 3.066 1.326 7.704 1.00 0.00 H new ATOM 0 HA LEU A 49 0.280 0.695 7.743 1.00 0.00 H new ATOM 0 HB2 LEU A 49 1.832 2.882 7.825 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.654 2.802 6.083 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.736 2.675 7.914 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.906 5.167 7.549 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.592 4.743 8.411 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.643 5.126 6.674 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.947 3.579 6.013 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.452 3.555 5.048 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.159 2.030 5.632 1.00 0.00 H new ATOM 708 N PHE A 50 1.818 0.478 4.849 1.00 0.00 N ATOM 709 CA PHE A 50 1.868 -0.281 3.612 1.00 0.00 C ATOM 710 C PHE A 50 1.640 -1.776 3.869 1.00 0.00 C ATOM 711 O PHE A 50 0.797 -2.390 3.217 1.00 0.00 O ATOM 712 CB PHE A 50 3.200 -0.027 2.923 1.00 0.00 C ATOM 713 CG PHE A 50 3.470 -0.946 1.752 1.00 0.00 C ATOM 714 CD1 PHE A 50 2.874 -0.695 0.504 1.00 0.00 C ATOM 715 CD2 PHE A 50 4.312 -2.060 1.915 1.00 0.00 C ATOM 716 CE1 PHE A 50 3.206 -1.499 -0.600 1.00 0.00 C ATOM 717 CE2 PHE A 50 4.656 -2.852 0.807 1.00 0.00 C ATOM 718 CZ PHE A 50 4.137 -2.537 -0.457 1.00 0.00 C ATOM 0 H PHE A 50 2.590 1.135 4.957 1.00 0.00 H new ATOM 0 HA PHE A 50 1.064 0.050 2.955 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.227 1.006 2.575 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.002 -0.139 3.652 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.164 0.112 0.394 1.00 0.00 H new ATOM 0 HD2 PHE A 50 4.695 -2.307 2.894 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.744 -1.317 -1.559 1.00 0.00 H new ATOM 0 HE2 PHE A 50 5.316 -3.698 0.928 1.00 0.00 H new ATOM 0 HZ PHE A 50 4.456 -3.097 -1.324 1.00 0.00 H new ATOM 728 N GLY A 51 2.385 -2.374 4.804 1.00 0.00 N ATOM 729 CA GLY A 51 2.236 -3.788 5.107 1.00 0.00 C ATOM 730 C GLY A 51 0.839 -4.129 5.603 1.00 0.00 C ATOM 731 O GLY A 51 0.331 -5.166 5.221 1.00 0.00 O ATOM 0 H GLY A 51 3.094 -1.896 5.360 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.455 -4.373 4.214 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.967 -4.074 5.863 1.00 0.00 H new ATOM 735 N GLU A 52 0.202 -3.289 6.410 1.00 0.00 N ATOM 736 CA GLU A 52 -1.145 -3.482 6.921 1.00 0.00 C ATOM 737 C GLU A 52 -2.135 -3.439 5.760 1.00 0.00 C ATOM 738 O GLU A 52 -2.787 -4.436 5.446 1.00 0.00 O ATOM 739 CB GLU A 52 -1.446 -2.386 7.964 1.00 0.00 C ATOM 740 CG GLU A 52 -0.935 -2.746 9.361 1.00 0.00 C ATOM 741 CD GLU A 52 -1.512 -4.031 9.960 1.00 0.00 C ATOM 742 OE1 GLU A 52 -2.663 -4.394 9.631 1.00 0.00 O ATOM 743 OE2 GLU A 52 -0.826 -4.635 10.817 1.00 0.00 O ATOM 0 H GLU A 52 0.628 -2.422 6.738 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.237 -4.453 7.407 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.989 -1.450 7.644 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.522 -2.217 8.007 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.150 -2.840 9.319 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -1.158 -1.919 10.035 1.00 0.00 H new ATOM 750 N SER A 53 -2.253 -2.287 5.109 1.00 0.00 N ATOM 751 CA SER A 53 -3.301 -2.005 4.141 1.00 0.00 C ATOM 752 C SER A 53 -3.139 -2.783 2.831 1.00 0.00 C ATOM 753 O SER A 53 -4.136 -3.183 2.221 1.00 0.00 O ATOM 754 CB SER A 53 -3.285 -0.496 3.907 1.00 0.00 C ATOM 755 OG SER A 53 -3.842 0.150 5.037 1.00 0.00 O ATOM 0 H SER A 53 -1.608 -1.508 5.244 1.00 0.00 H new ATOM 0 HA SER A 53 -4.263 -2.334 4.535 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.264 -0.151 3.741 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.855 -0.247 3.012 1.00 0.00 H new ATOM 0 HG SER A 53 -4.347 0.938 4.747 1.00 0.00 H new ATOM 761 N ILE A 54 -1.909 -2.980 2.360 1.00 0.00 N ATOM 762 CA ILE A 54 -1.649 -3.697 1.117 1.00 0.00 C ATOM 763 C ILE A 54 -1.493 -5.182 1.445 1.00 0.00 C ATOM 764 O ILE A 54 -2.174 -6.032 0.866 1.00 0.00 O ATOM 765 CB ILE A 54 -0.432 -3.094 0.381 1.00 0.00 C ATOM 766 CG1 ILE A 54 -0.513 -1.558 0.273 1.00 0.00 C ATOM 767 CG2 ILE A 54 -0.246 -3.689 -1.025 1.00 0.00 C ATOM 768 CD1 ILE A 54 -1.802 -0.991 -0.332 1.00 0.00 C ATOM 0 H ILE A 54 -1.067 -2.647 2.830 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.484 -3.592 0.424 1.00 0.00 H new ATOM 0 HB ILE A 54 0.432 -3.357 0.991 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.388 -1.137 1.271 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.329 -1.211 -0.327 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.622 -3.233 -1.501 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.094 -4.765 -0.947 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.135 -3.491 -1.624 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.744 0.097 -0.357 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.926 -1.371 -1.346 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.654 -1.295 0.276 1.00 0.00 H new ATOM 780 N LEU A 55 -0.575 -5.503 2.356 1.00 0.00 N ATOM 781 CA LEU A 55 -0.041 -6.862 2.483 1.00 0.00 C ATOM 782 C LEU A 55 -0.674 -7.678 3.610 1.00 0.00 C ATOM 783 O LEU A 55 -0.461 -8.888 3.650 1.00 0.00 O ATOM 784 CB LEU A 55 1.492 -6.815 2.615 1.00 0.00 C ATOM 785 CG LEU A 55 2.182 -6.014 1.497 1.00 0.00 C ATOM 786 CD1 LEU A 55 3.701 -6.075 1.648 1.00 0.00 C ATOM 787 CD2 LEU A 55 1.836 -6.499 0.086 1.00 0.00 C ATOM 0 H LEU A 55 -0.183 -4.837 3.022 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.311 -7.389 1.568 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.752 -6.376 3.578 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.880 -7.834 2.613 1.00 0.00 H new ATOM 0 HG LEU A 55 1.810 -4.995 1.608 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.169 -5.502 0.848 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.988 -5.654 2.612 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.031 -7.112 1.593 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.360 -5.886 -0.648 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.141 -7.539 -0.026 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.761 -6.417 -0.074 1.00 0.00 H new ATOM 799 N GLY A 56 -1.450 -7.070 4.503 1.00 0.00 N ATOM 800 CA GLY A 56 -1.976 -7.697 5.715 1.00 0.00 C ATOM 801 C GLY A 56 -0.878 -8.203 6.663 1.00 0.00 C ATOM 802 O GLY A 56 -1.121 -9.125 7.445 1.00 0.00 O ATOM 0 H GLY A 56 -1.740 -6.097 4.401 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.601 -6.979 6.245 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.618 -8.532 5.435 1.00 0.00 H new ATOM 806 N LEU A 57 0.342 -7.659 6.596 1.00 0.00 N ATOM 807 CA LEU A 57 1.506 -8.166 7.319 1.00 0.00 C ATOM 808 C LEU A 57 1.804 -7.332 8.559 1.00 0.00 C ATOM 809 O LEU A 57 1.799 -6.100 8.510 1.00 0.00 O ATOM 810 CB LEU A 57 2.740 -8.153 6.407 1.00 0.00 C ATOM 811 CG LEU A 57 2.734 -9.241 5.321 1.00 0.00 C ATOM 812 CD1 LEU A 57 3.964 -9.035 4.433 1.00 0.00 C ATOM 813 CD2 LEU A 57 2.744 -10.665 5.895 1.00 0.00 C ATOM 0 H LEU A 57 0.548 -6.839 6.026 1.00 0.00 H new ATOM 0 HA LEU A 57 1.277 -9.185 7.630 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.813 -7.177 5.927 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.633 -8.273 7.021 1.00 0.00 H new ATOM 0 HG LEU A 57 1.809 -9.144 4.752 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.982 -9.797 3.653 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.920 -8.047 3.974 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.867 -9.114 5.038 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.739 -11.387 5.078 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.640 -10.807 6.500 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.860 -10.813 6.515 1.00 0.00 H new ATOM 825 N THR A 58 2.184 -8.014 9.641 1.00 0.00 N ATOM 826 CA THR A 58 2.843 -7.422 10.799 1.00 0.00 C ATOM 827 C THR A 58 4.103 -6.672 10.358 1.00 0.00 C ATOM 828 O THR A 58 4.758 -7.075 9.394 1.00 0.00 O ATOM 829 CB THR A 58 3.162 -8.511 11.844 1.00 0.00 C ATOM 830 OG1 THR A 58 3.430 -9.773 11.244 1.00 0.00 O ATOM 831 CG2 THR A 58 1.982 -8.640 12.804 1.00 0.00 C ATOM 0 H THR A 58 2.037 -9.019 9.735 1.00 0.00 H new ATOM 0 HA THR A 58 2.174 -6.701 11.268 1.00 0.00 H new ATOM 0 HB THR A 58 4.062 -8.209 12.379 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.628 -10.432 11.942 1.00 0.00 H new ATOM 0 HG21 THR A 58 2.199 -9.408 13.546 1.00 0.00 H new ATOM 0 HG22 THR A 58 1.815 -7.687 13.306 1.00 0.00 H new ATOM 0 HG23 THR A 58 1.088 -8.917 12.246 1.00 0.00 H new ATOM 839 N GLN A 59 4.479 -5.603 11.068 1.00 0.00 N ATOM 840 CA GLN A 59 5.655 -4.818 10.720 1.00 0.00 C ATOM 841 C GLN A 59 6.902 -5.694 10.749 1.00 0.00 C ATOM 842 O GLN A 59 7.722 -5.575 9.845 1.00 0.00 O ATOM 843 CB GLN A 59 5.835 -3.600 11.636 1.00 0.00 C ATOM 844 CG GLN A 59 6.835 -2.621 11.000 1.00 0.00 C ATOM 845 CD GLN A 59 7.134 -1.413 11.877 1.00 0.00 C ATOM 846 OE1 GLN A 59 6.263 -0.831 12.520 1.00 0.00 O ATOM 847 NE2 GLN A 59 8.373 -0.972 11.910 1.00 0.00 N ATOM 0 H GLN A 59 3.979 -5.265 11.890 1.00 0.00 H new ATOM 0 HA GLN A 59 5.504 -4.439 9.709 1.00 0.00 H new ATOM 0 HB2 GLN A 59 4.876 -3.106 11.793 1.00 0.00 H new ATOM 0 HB3 GLN A 59 6.194 -3.918 12.615 1.00 0.00 H new ATOM 0 HG2 GLN A 59 7.766 -3.148 10.790 1.00 0.00 H new ATOM 0 HG3 GLN A 59 6.440 -2.278 10.044 1.00 0.00 H new ATOM 0 HE21 GLN A 59 9.099 -1.452 11.378 1.00 0.00 H new ATOM 0 HE22 GLN A 59 8.607 -0.151 12.467 1.00 0.00 H new ATOM 856 N GLY A 60 7.029 -6.587 11.739 1.00 0.00 N ATOM 857 CA GLY A 60 8.109 -7.562 11.783 1.00 0.00 C ATOM 858 C GLY A 60 8.215 -8.292 10.445 1.00 0.00 C ATOM 859 O GLY A 60 9.280 -8.304 9.822 1.00 0.00 O ATOM 0 H GLY A 60 6.384 -6.648 12.527 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.051 -7.062 12.009 1.00 0.00 H new ATOM 0 HA3 GLY A 60 7.929 -8.279 12.584 1.00 0.00 H new ATOM 863 N SER A 61 7.090 -8.837 9.983 1.00 0.00 N ATOM 864 CA SER A 61 6.985 -9.605 8.758 1.00 0.00 C ATOM 865 C SER A 61 7.236 -8.768 7.497 1.00 0.00 C ATOM 866 O SER A 61 7.838 -9.295 6.558 1.00 0.00 O ATOM 867 CB SER A 61 5.605 -10.274 8.709 1.00 0.00 C ATOM 868 OG SER A 61 5.403 -11.091 9.849 1.00 0.00 O ATOM 0 H SER A 61 6.200 -8.749 10.474 1.00 0.00 H new ATOM 0 HA SER A 61 7.770 -10.361 8.768 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.827 -9.512 8.660 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.519 -10.876 7.804 1.00 0.00 H new ATOM 0 HG SER A 61 4.804 -10.635 10.476 1.00 0.00 H new ATOM 874 N VAL A 62 6.781 -7.511 7.433 1.00 0.00 N ATOM 875 CA VAL A 62 6.976 -6.647 6.270 1.00 0.00 C ATOM 876 C VAL A 62 8.429 -6.177 6.195 1.00 0.00 C ATOM 877 O VAL A 62 9.039 -6.195 5.125 1.00 0.00 O ATOM 878 CB VAL A 62 5.944 -5.484 6.261 1.00 0.00 C ATOM 879 CG1 VAL A 62 6.443 -4.083 6.669 1.00 0.00 C ATOM 880 CG2 VAL A 62 5.368 -5.359 4.850 1.00 0.00 C ATOM 0 H VAL A 62 6.265 -7.066 8.192 1.00 0.00 H new ATOM 0 HA VAL A 62 6.788 -7.217 5.360 1.00 0.00 H new ATOM 0 HB VAL A 62 5.225 -5.769 7.029 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.617 -3.373 6.616 1.00 0.00 H new ATOM 0 HG12 VAL A 62 6.828 -4.117 7.688 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.236 -3.768 5.991 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.641 -4.547 4.824 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.173 -5.148 4.146 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.879 -6.293 4.573 1.00 0.00 H new ATOM 890 N SER A 63 9.007 -5.782 7.326 1.00 0.00 N ATOM 891 CA SER A 63 10.372 -5.318 7.395 1.00 0.00 C ATOM 892 C SER A 63 11.333 -6.452 7.052 1.00 0.00 C ATOM 893 O SER A 63 12.313 -6.194 6.356 1.00 0.00 O ATOM 894 CB SER A 63 10.640 -4.724 8.774 1.00 0.00 C ATOM 895 OG SER A 63 9.895 -3.533 8.947 1.00 0.00 O ATOM 0 H SER A 63 8.527 -5.779 8.226 1.00 0.00 H new ATOM 0 HA SER A 63 10.535 -4.531 6.659 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.372 -5.445 9.547 1.00 0.00 H new ATOM 0 HB3 SER A 63 11.704 -4.516 8.888 1.00 0.00 H new ATOM 0 HG SER A 63 10.074 -3.162 9.836 1.00 0.00 H new ATOM 901 N ASP A 64 11.050 -7.692 7.467 1.00 0.00 N ATOM 902 CA ASP A 64 11.794 -8.874 7.024 1.00 0.00 C ATOM 903 C ASP A 64 11.639 -9.092 5.519 1.00 0.00 C ATOM 904 O ASP A 64 12.616 -9.453 4.860 1.00 0.00 O ATOM 905 CB ASP A 64 11.311 -10.120 7.774 1.00 0.00 C ATOM 906 CG ASP A 64 11.841 -11.401 7.122 1.00 0.00 C ATOM 907 OD1 ASP A 64 13.044 -11.714 7.261 1.00 0.00 O ATOM 908 OD2 ASP A 64 11.060 -12.095 6.430 1.00 0.00 O ATOM 0 H ASP A 64 10.296 -7.903 8.121 1.00 0.00 H new ATOM 0 HA ASP A 64 12.848 -8.704 7.244 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.642 -10.074 8.812 1.00 0.00 H new ATOM 0 HB3 ASP A 64 10.221 -10.140 7.787 1.00 0.00 H new ATOM 913 N LEU A 65 10.433 -8.877 4.977 1.00 0.00 N ATOM 914 CA LEU A 65 10.166 -9.019 3.551 1.00 0.00 C ATOM 915 C LEU A 65 11.061 -8.086 2.750 1.00 0.00 C ATOM 916 O LEU A 65 11.757 -8.540 1.849 1.00 0.00 O ATOM 917 CB LEU A 65 8.679 -8.794 3.216 1.00 0.00 C ATOM 918 CG LEU A 65 8.265 -9.693 2.044 1.00 0.00 C ATOM 919 CD1 LEU A 65 8.028 -11.129 2.532 1.00 0.00 C ATOM 920 CD2 LEU A 65 6.983 -9.198 1.373 1.00 0.00 C ATOM 0 H LEU A 65 9.617 -8.599 5.522 1.00 0.00 H new ATOM 0 HA LEU A 65 10.398 -10.046 3.270 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.064 -9.013 4.089 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.509 -7.748 2.961 1.00 0.00 H new ATOM 0 HG LEU A 65 9.079 -9.664 1.320 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.735 -11.756 1.690 1.00 0.00 H new ATOM 0 HD12 LEU A 65 8.945 -11.519 2.973 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.235 -11.133 3.280 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.724 -9.862 0.548 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.171 -9.190 2.101 1.00 0.00 H new ATOM 0 HD23 LEU A 65 7.138 -8.189 0.991 1.00 0.00 H new ATOM 932 N LEU A 66 11.072 -6.798 3.096 1.00 0.00 N ATOM 933 CA LEU A 66 11.901 -5.813 2.416 1.00 0.00 C ATOM 934 C LEU A 66 13.380 -6.047 2.658 1.00 0.00 C ATOM 935 O LEU A 66 14.173 -5.853 1.740 1.00 0.00 O ATOM 936 CB LEU A 66 11.564 -4.392 2.877 1.00 0.00 C ATOM 937 CG LEU A 66 10.164 -3.903 2.492 1.00 0.00 C ATOM 938 CD1 LEU A 66 10.008 -2.447 2.946 1.00 0.00 C ATOM 939 CD2 LEU A 66 9.904 -4.046 0.987 1.00 0.00 C ATOM 0 H LEU A 66 10.507 -6.413 3.853 1.00 0.00 H new ATOM 0 HA LEU A 66 11.688 -5.924 1.353 1.00 0.00 H new ATOM 0 HB2 LEU A 66 11.664 -4.344 3.961 1.00 0.00 H new ATOM 0 HB3 LEU A 66 12.300 -3.706 2.459 1.00 0.00 H new ATOM 0 HG LEU A 66 9.421 -4.524 2.993 1.00 0.00 H new ATOM 0 HD11 LEU A 66 9.015 -2.087 2.678 1.00 0.00 H new ATOM 0 HD12 LEU A 66 10.136 -2.387 4.027 1.00 0.00 H new ATOM 0 HD13 LEU A 66 10.762 -1.831 2.457 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.901 -3.688 0.755 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.636 -3.457 0.434 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.991 -5.094 0.701 1.00 0.00 H new ATOM 951 N SER A 67 13.748 -6.384 3.895 1.00 0.00 N ATOM 952 CA SER A 67 15.134 -6.557 4.300 1.00 0.00 C ATOM 953 C SER A 67 15.769 -7.651 3.452 1.00 0.00 C ATOM 954 O SER A 67 16.745 -7.383 2.746 1.00 0.00 O ATOM 955 CB SER A 67 15.246 -6.831 5.807 1.00 0.00 C ATOM 956 OG SER A 67 16.594 -6.785 6.231 1.00 0.00 O ATOM 0 H SER A 67 13.080 -6.545 4.649 1.00 0.00 H new ATOM 0 HA SER A 67 15.685 -5.632 4.127 1.00 0.00 H new ATOM 0 HB2 SER A 67 14.662 -6.094 6.359 1.00 0.00 H new ATOM 0 HB3 SER A 67 14.822 -7.809 6.035 1.00 0.00 H new ATOM 0 HG SER A 67 16.640 -6.961 7.194 1.00 0.00 H new ATOM 962 N ARG A 68 15.231 -8.871 3.522 1.00 0.00 N ATOM 963 CA ARG A 68 15.857 -10.064 2.968 1.00 0.00 C ATOM 964 C ARG A 68 14.796 -10.866 2.210 1.00 0.00 C ATOM 965 O ARG A 68 14.431 -11.955 2.669 1.00 0.00 O ATOM 966 CB ARG A 68 16.482 -10.888 4.106 1.00 0.00 C ATOM 967 CG ARG A 68 17.637 -10.240 4.870 1.00 0.00 C ATOM 968 CD ARG A 68 18.095 -11.212 5.962 1.00 0.00 C ATOM 969 NE ARG A 68 19.415 -10.867 6.507 1.00 0.00 N ATOM 970 CZ ARG A 68 20.547 -11.567 6.363 1.00 0.00 C ATOM 971 NH1 ARG A 68 20.633 -12.606 5.535 1.00 0.00 N ATOM 972 NH2 ARG A 68 21.597 -11.208 7.083 1.00 0.00 N ATOM 0 H ARG A 68 14.335 -9.056 3.973 1.00 0.00 H new ATOM 0 HA ARG A 68 16.653 -9.796 2.273 1.00 0.00 H new ATOM 0 HB2 ARG A 68 15.696 -11.132 4.821 1.00 0.00 H new ATOM 0 HB3 ARG A 68 16.837 -11.830 3.688 1.00 0.00 H new ATOM 0 HG2 ARG A 68 18.461 -10.014 4.193 1.00 0.00 H new ATOM 0 HG3 ARG A 68 17.318 -9.296 5.311 1.00 0.00 H new ATOM 0 HD2 ARG A 68 17.363 -11.217 6.769 1.00 0.00 H new ATOM 0 HD3 ARG A 68 18.127 -12.222 5.554 1.00 0.00 H new ATOM 0 HE ARG A 68 19.475 -10.006 7.051 1.00 0.00 H new ATOM 0 HH11 ARG A 68 19.821 -12.890 4.987 1.00 0.00 H new ATOM 0 HH12 ARG A 68 21.511 -13.118 5.449 1.00 0.00 H new ATOM 0 HH21 ARG A 68 21.529 -10.418 7.725 1.00 0.00 H new ATOM 0 HH22 ARG A 68 22.474 -11.721 6.996 1.00 0.00 H new ATOM 986 N PRO A 69 14.277 -10.375 1.074 1.00 0.00 N ATOM 987 CA PRO A 69 13.276 -11.109 0.310 1.00 0.00 C ATOM 988 C PRO A 69 13.882 -12.440 -0.134 1.00 0.00 C ATOM 989 O PRO A 69 15.067 -12.506 -0.476 1.00 0.00 O ATOM 990 CB PRO A 69 12.925 -10.211 -0.876 1.00 0.00 C ATOM 991 CG PRO A 69 14.180 -9.367 -1.067 1.00 0.00 C ATOM 992 CD PRO A 69 14.687 -9.174 0.361 1.00 0.00 C ATOM 0 HA PRO A 69 12.377 -11.341 0.881 1.00 0.00 H new ATOM 0 HB2 PRO A 69 12.695 -10.795 -1.767 1.00 0.00 H new ATOM 0 HB3 PRO A 69 12.053 -9.592 -0.666 1.00 0.00 H new ATOM 0 HG2 PRO A 69 14.916 -9.874 -1.691 1.00 0.00 H new ATOM 0 HG3 PRO A 69 13.956 -8.415 -1.548 1.00 0.00 H new ATOM 0 HD2 PRO A 69 15.770 -9.053 0.382 1.00 0.00 H new ATOM 0 HD3 PRO A 69 14.258 -8.280 0.814 1.00 0.00 H new ATOM 1000 N LYS A 70 13.106 -13.522 -0.111 1.00 0.00 N ATOM 1001 CA LYS A 70 13.499 -14.744 -0.800 1.00 0.00 C ATOM 1002 C LYS A 70 13.293 -14.556 -2.306 1.00 0.00 C ATOM 1003 O LYS A 70 12.512 -13.691 -2.713 1.00 0.00 O ATOM 1004 CB LYS A 70 12.721 -15.942 -0.237 1.00 0.00 C ATOM 1005 CG LYS A 70 13.610 -16.692 0.763 1.00 0.00 C ATOM 1006 CD LYS A 70 12.878 -17.859 1.434 1.00 0.00 C ATOM 1007 CE LYS A 70 11.915 -17.394 2.529 1.00 0.00 C ATOM 1008 NZ LYS A 70 12.632 -16.900 3.721 1.00 0.00 N ATOM 0 H LYS A 70 12.210 -13.575 0.373 1.00 0.00 H new ATOM 0 HA LYS A 70 14.555 -14.954 -0.633 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.809 -15.601 0.253 1.00 0.00 H new ATOM 0 HB3 LYS A 70 12.419 -16.608 -1.045 1.00 0.00 H new ATOM 0 HG2 LYS A 70 14.494 -17.069 0.248 1.00 0.00 H new ATOM 0 HG3 LYS A 70 13.958 -15.997 1.527 1.00 0.00 H new ATOM 0 HD2 LYS A 70 12.323 -18.418 0.680 1.00 0.00 H new ATOM 0 HD3 LYS A 70 13.609 -18.543 1.864 1.00 0.00 H new ATOM 0 HE2 LYS A 70 11.275 -16.604 2.137 1.00 0.00 H new ATOM 0 HE3 LYS A 70 11.264 -18.220 2.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.958 -16.771 4.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 13.358 -17.590 4.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 13.085 -15.990 3.501 1.00 0.00 H new ATOM 1022 N PRO A 71 13.967 -15.358 -3.140 1.00 0.00 N ATOM 1023 CA PRO A 71 13.806 -15.293 -4.583 1.00 0.00 C ATOM 1024 C PRO A 71 12.405 -15.779 -4.952 1.00 0.00 C ATOM 1025 O PRO A 71 11.790 -16.556 -4.211 1.00 0.00 O ATOM 1026 CB PRO A 71 14.910 -16.185 -5.155 1.00 0.00 C ATOM 1027 CG PRO A 71 15.258 -17.143 -4.040 1.00 0.00 C ATOM 1028 CD PRO A 71 14.911 -16.392 -2.758 1.00 0.00 C ATOM 0 HA PRO A 71 13.896 -14.284 -4.986 1.00 0.00 H new ATOM 0 HB2 PRO A 71 14.566 -16.719 -6.041 1.00 0.00 H new ATOM 0 HB3 PRO A 71 15.777 -15.596 -5.454 1.00 0.00 H new ATOM 0 HG2 PRO A 71 14.689 -18.069 -4.122 1.00 0.00 H new ATOM 0 HG3 PRO A 71 16.313 -17.414 -4.066 1.00 0.00 H new ATOM 0 HD2 PRO A 71 14.475 -17.064 -2.019 1.00 0.00 H new ATOM 0 HD3 PRO A 71 15.803 -15.958 -2.307 1.00 0.00 H new ATOM 1036 N TRP A 72 11.911 -15.374 -6.122 1.00 0.00 N ATOM 1037 CA TRP A 72 10.591 -15.768 -6.595 1.00 0.00 C ATOM 1038 C TRP A 72 10.472 -17.293 -6.638 1.00 0.00 C ATOM 1039 O TRP A 72 9.475 -17.833 -6.155 1.00 0.00 O ATOM 1040 CB TRP A 72 10.318 -15.133 -7.960 1.00 0.00 C ATOM 1041 CG TRP A 72 8.982 -15.456 -8.551 1.00 0.00 C ATOM 1042 CD1 TRP A 72 8.732 -16.482 -9.394 1.00 0.00 C ATOM 1043 CD2 TRP A 72 7.705 -14.773 -8.365 1.00 0.00 C ATOM 1044 NE1 TRP A 72 7.424 -16.425 -9.814 1.00 0.00 N ATOM 1045 CE2 TRP A 72 6.736 -15.419 -9.185 1.00 0.00 C ATOM 1046 CE3 TRP A 72 7.261 -13.678 -7.593 1.00 0.00 C ATOM 1047 CZ2 TRP A 72 5.400 -15.014 -9.233 1.00 0.00 C ATOM 1048 CZ3 TRP A 72 5.916 -13.258 -7.637 1.00 0.00 C ATOM 1049 CH2 TRP A 72 4.991 -13.918 -8.466 1.00 0.00 C ATOM 0 H TRP A 72 12.416 -14.765 -6.765 1.00 0.00 H new ATOM 0 HA TRP A 72 9.833 -15.405 -5.901 1.00 0.00 H new ATOM 0 HB2 TRP A 72 10.404 -14.051 -7.864 1.00 0.00 H new ATOM 0 HB3 TRP A 72 11.094 -15.454 -8.655 1.00 0.00 H new ATOM 0 HD1 TRP A 72 9.450 -17.232 -9.692 1.00 0.00 H new ATOM 0 HE1 TRP A 72 7.016 -17.053 -10.507 1.00 0.00 H new ATOM 0 HE3 TRP A 72 7.962 -13.154 -6.960 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 4.691 -15.541 -9.855 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 5.594 -12.424 -7.031 1.00 0.00 H new ATOM 0 HH2 TRP A 72 3.967 -13.579 -8.510 1.00 0.00 H new ATOM 1060 N HIS A 73 11.491 -18.001 -7.142 1.00 0.00 N ATOM 1061 CA HIS A 73 11.486 -19.459 -7.233 1.00 0.00 C ATOM 1062 C HIS A 73 11.233 -20.105 -5.859 1.00 0.00 C ATOM 1063 O HIS A 73 10.412 -21.015 -5.748 1.00 0.00 O ATOM 1064 CB HIS A 73 12.768 -19.973 -7.917 1.00 0.00 C ATOM 1065 CG HIS A 73 13.992 -20.076 -7.038 1.00 0.00 C ATOM 1066 ND1 HIS A 73 15.117 -19.284 -7.070 1.00 0.00 N ATOM 1067 CD2 HIS A 73 14.207 -21.041 -6.095 1.00 0.00 C ATOM 1068 CE1 HIS A 73 15.984 -19.769 -6.164 1.00 0.00 C ATOM 1069 NE2 HIS A 73 15.462 -20.833 -5.526 1.00 0.00 N ATOM 0 H HIS A 73 12.345 -17.572 -7.499 1.00 0.00 H new ATOM 0 HA HIS A 73 10.653 -19.763 -7.867 1.00 0.00 H new ATOM 0 HB2 HIS A 73 12.562 -20.958 -8.336 1.00 0.00 H new ATOM 0 HB3 HIS A 73 13.000 -19.313 -8.753 1.00 0.00 H new ATOM 0 HD2 HIS A 73 13.520 -21.832 -5.834 1.00 0.00 H new ATOM 0 HE1 HIS A 73 16.966 -19.360 -5.974 1.00 0.00 H new ATOM 0 HE2 HIS A 73 15.896 -21.376 -4.779 1.00 0.00 H new ATOM 1077 N LYS A 74 11.892 -19.611 -4.800 1.00 0.00 N ATOM 1078 CA LYS A 74 11.777 -20.141 -3.437 1.00 0.00 C ATOM 1079 C LYS A 74 10.358 -20.010 -2.919 1.00 0.00 C ATOM 1080 O LYS A 74 9.887 -20.877 -2.171 1.00 0.00 O ATOM 1081 CB LYS A 74 12.706 -19.360 -2.489 1.00 0.00 C ATOM 1082 CG LYS A 74 14.112 -19.959 -2.419 1.00 0.00 C ATOM 1083 CD LYS A 74 14.163 -21.022 -1.324 1.00 0.00 C ATOM 1084 CE LYS A 74 15.524 -21.718 -1.247 1.00 0.00 C ATOM 1085 NZ LYS A 74 15.386 -23.061 -0.645 1.00 0.00 N ATOM 0 H LYS A 74 12.530 -18.818 -4.870 1.00 0.00 H new ATOM 0 HA LYS A 74 12.057 -21.194 -3.468 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.772 -18.324 -2.823 1.00 0.00 H new ATOM 0 HB3 LYS A 74 12.271 -19.346 -1.490 1.00 0.00 H new ATOM 0 HG2 LYS A 74 14.379 -20.399 -3.380 1.00 0.00 H new ATOM 0 HG3 LYS A 74 14.842 -19.176 -2.214 1.00 0.00 H new ATOM 0 HD2 LYS A 74 13.940 -20.560 -0.362 1.00 0.00 H new ATOM 0 HD3 LYS A 74 13.388 -21.766 -1.508 1.00 0.00 H new ATOM 0 HE2 LYS A 74 15.952 -21.803 -2.246 1.00 0.00 H new ATOM 0 HE3 LYS A 74 16.213 -21.117 -0.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 16.319 -23.519 -0.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 14.997 -22.973 0.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 14.745 -23.638 -1.226 1.00 0.00 H new ATOM 1099 N LEU A 75 9.714 -18.897 -3.237 1.00 0.00 N ATOM 1100 CA LEU A 75 8.434 -18.536 -2.677 1.00 0.00 C ATOM 1101 C LEU A 75 7.384 -19.383 -3.383 1.00 0.00 C ATOM 1102 O LEU A 75 7.363 -19.474 -4.610 1.00 0.00 O ATOM 1103 CB LEU A 75 8.183 -17.043 -2.920 1.00 0.00 C ATOM 1104 CG LEU A 75 9.119 -16.085 -2.161 1.00 0.00 C ATOM 1105 CD1 LEU A 75 8.886 -14.677 -2.699 1.00 0.00 C ATOM 1106 CD2 LEU A 75 8.894 -16.101 -0.646 1.00 0.00 C ATOM 0 H LEU A 75 10.077 -18.214 -3.902 1.00 0.00 H new ATOM 0 HA LEU A 75 8.398 -18.714 -1.602 1.00 0.00 H new ATOM 0 HB2 LEU A 75 8.276 -16.845 -3.988 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.154 -16.815 -2.642 1.00 0.00 H new ATOM 0 HG LEU A 75 10.146 -16.413 -2.323 1.00 0.00 H new ATOM 0 HD11 LEU A 75 9.538 -13.976 -2.178 1.00 0.00 H new ATOM 0 HD12 LEU A 75 9.108 -14.654 -3.766 1.00 0.00 H new ATOM 0 HD13 LEU A 75 7.846 -14.394 -2.538 1.00 0.00 H new ATOM 0 HD21 LEU A 75 9.584 -15.405 -0.168 1.00 0.00 H new ATOM 0 HD22 LEU A 75 7.869 -15.803 -0.427 1.00 0.00 H new ATOM 0 HD23 LEU A 75 9.069 -17.106 -0.263 1.00 0.00 H new ATOM 1118 N SER A 76 6.519 -20.027 -2.609 1.00 0.00 N ATOM 1119 CA SER A 76 5.304 -20.669 -3.112 1.00 0.00 C ATOM 1120 C SER A 76 4.297 -19.578 -3.519 1.00 0.00 C ATOM 1121 O SER A 76 4.578 -18.403 -3.286 1.00 0.00 O ATOM 1122 CB SER A 76 4.787 -21.581 -1.997 1.00 0.00 C ATOM 1123 OG SER A 76 5.858 -22.399 -1.552 1.00 0.00 O ATOM 0 H SER A 76 6.640 -20.121 -1.601 1.00 0.00 H new ATOM 0 HA SER A 76 5.482 -21.275 -4.000 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.396 -20.986 -1.171 1.00 0.00 H new ATOM 0 HB3 SER A 76 3.966 -22.198 -2.362 1.00 0.00 H new ATOM 0 HG SER A 76 5.543 -22.989 -0.835 1.00 0.00 H new ATOM 1129 N LEU A 77 3.106 -19.894 -4.049 1.00 0.00 N ATOM 1130 CA LEU A 77 2.138 -18.845 -4.411 1.00 0.00 C ATOM 1131 C LEU A 77 1.803 -17.959 -3.206 1.00 0.00 C ATOM 1132 O LEU A 77 1.855 -16.739 -3.296 1.00 0.00 O ATOM 1133 CB LEU A 77 0.836 -19.403 -4.995 1.00 0.00 C ATOM 1134 CG LEU A 77 0.947 -20.191 -6.309 1.00 0.00 C ATOM 1135 CD1 LEU A 77 -0.465 -20.581 -6.748 1.00 0.00 C ATOM 1136 CD2 LEU A 77 1.600 -19.407 -7.442 1.00 0.00 C ATOM 0 H LEU A 77 2.793 -20.847 -4.234 1.00 0.00 H new ATOM 0 HA LEU A 77 2.626 -18.253 -5.185 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.379 -20.052 -4.248 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.151 -18.570 -5.155 1.00 0.00 H new ATOM 0 HG LEU A 77 1.582 -21.055 -6.113 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.414 -21.143 -7.681 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.928 -21.198 -5.978 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.061 -19.681 -6.899 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.643 -20.028 -8.337 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.014 -18.512 -7.650 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.610 -19.120 -7.151 1.00 0.00 H new ATOM 1148 N LYS A 78 1.540 -18.562 -2.044 1.00 0.00 N ATOM 1149 CA LYS A 78 1.370 -17.841 -0.775 1.00 0.00 C ATOM 1150 C LYS A 78 2.604 -16.997 -0.412 1.00 0.00 C ATOM 1151 O LYS A 78 2.492 -15.956 0.232 1.00 0.00 O ATOM 1152 CB LYS A 78 1.004 -18.784 0.382 1.00 0.00 C ATOM 1153 CG LYS A 78 1.512 -20.234 0.265 1.00 0.00 C ATOM 1154 CD LYS A 78 0.458 -21.136 -0.394 1.00 0.00 C ATOM 1155 CE LYS A 78 0.777 -22.634 -0.269 1.00 0.00 C ATOM 1156 NZ LYS A 78 0.892 -23.112 1.124 1.00 0.00 N ATOM 0 H LYS A 78 1.438 -19.573 -1.954 1.00 0.00 H new ATOM 0 HA LYS A 78 0.535 -17.158 -0.929 1.00 0.00 H new ATOM 0 HB2 LYS A 78 1.393 -18.358 1.307 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.082 -18.808 0.474 1.00 0.00 H new ATOM 0 HG2 LYS A 78 2.431 -20.255 -0.321 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.757 -20.618 1.255 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.513 -20.939 0.060 1.00 0.00 H new ATOM 0 HD3 LYS A 78 0.376 -20.876 -1.449 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -0.003 -23.204 -0.774 1.00 0.00 H new ATOM 0 HE3 LYS A 78 1.711 -22.840 -0.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 0.887 -24.152 1.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 1.781 -22.765 1.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 0.089 -22.756 1.681 1.00 0.00 H new ATOM 1170 N GLY A 79 3.797 -17.425 -0.823 1.00 0.00 N ATOM 1171 CA GLY A 79 5.044 -16.682 -0.686 1.00 0.00 C ATOM 1172 C GLY A 79 5.059 -15.432 -1.552 1.00 0.00 C ATOM 1173 O GLY A 79 5.543 -14.383 -1.140 1.00 0.00 O ATOM 0 H GLY A 79 3.924 -18.330 -1.276 1.00 0.00 H new ATOM 0 HA2 GLY A 79 5.187 -16.402 0.358 1.00 0.00 H new ATOM 0 HA3 GLY A 79 5.881 -17.324 -0.961 1.00 0.00 H new ATOM 1177 N ARG A 80 4.577 -15.558 -2.783 1.00 0.00 N ATOM 1178 CA ARG A 80 4.612 -14.536 -3.815 1.00 0.00 C ATOM 1179 C ARG A 80 3.473 -13.537 -3.660 1.00 0.00 C ATOM 1180 O ARG A 80 3.609 -12.407 -4.113 1.00 0.00 O ATOM 1181 CB ARG A 80 4.490 -15.275 -5.143 1.00 0.00 C ATOM 1182 CG ARG A 80 5.695 -16.181 -5.401 1.00 0.00 C ATOM 1183 CD ARG A 80 5.372 -17.175 -6.520 1.00 0.00 C ATOM 1184 NE ARG A 80 6.557 -17.972 -6.832 1.00 0.00 N ATOM 1185 CZ ARG A 80 6.781 -18.808 -7.846 1.00 0.00 C ATOM 1186 NH1 ARG A 80 5.908 -19.045 -8.816 1.00 0.00 N ATOM 1187 NH2 ARG A 80 7.937 -19.447 -7.861 1.00 0.00 N ATOM 0 H ARG A 80 4.130 -16.418 -3.101 1.00 0.00 H new ATOM 0 HA ARG A 80 5.535 -13.960 -3.751 1.00 0.00 H new ATOM 0 HB2 ARG A 80 3.579 -15.873 -5.144 1.00 0.00 H new ATOM 0 HB3 ARG A 80 4.398 -14.553 -5.954 1.00 0.00 H new ATOM 0 HG2 ARG A 80 6.561 -15.579 -5.677 1.00 0.00 H new ATOM 0 HG3 ARG A 80 5.958 -16.719 -4.490 1.00 0.00 H new ATOM 0 HD2 ARG A 80 4.554 -17.827 -6.214 1.00 0.00 H new ATOM 0 HD3 ARG A 80 5.038 -16.640 -7.409 1.00 0.00 H new ATOM 0 HE ARG A 80 7.330 -17.874 -6.174 1.00 0.00 H new ATOM 0 HH11 ARG A 80 5.003 -18.575 -8.814 1.00 0.00 H new ATOM 0 HH12 ARG A 80 6.142 -19.697 -9.564 1.00 0.00 H new ATOM 0 HH21 ARG A 80 8.616 -19.291 -7.116 1.00 0.00 H new ATOM 0 HH22 ARG A 80 8.151 -20.096 -8.618 1.00 0.00 H new ATOM 1201 N GLU A 81 2.397 -13.941 -2.984 1.00 0.00 N ATOM 1202 CA GLU A 81 1.181 -13.194 -2.690 1.00 0.00 C ATOM 1203 C GLU A 81 1.457 -11.712 -2.404 1.00 0.00 C ATOM 1204 O GLU A 81 0.956 -10.866 -3.149 1.00 0.00 O ATOM 1205 CB GLU A 81 0.403 -13.930 -1.571 1.00 0.00 C ATOM 1206 CG GLU A 81 -1.080 -14.043 -1.870 1.00 0.00 C ATOM 1207 CD GLU A 81 -1.784 -15.083 -0.992 1.00 0.00 C ATOM 1208 OE1 GLU A 81 -1.968 -14.877 0.227 1.00 0.00 O ATOM 1209 OE2 GLU A 81 -2.261 -16.102 -1.539 1.00 0.00 O ATOM 0 H GLU A 81 2.354 -14.883 -2.595 1.00 0.00 H new ATOM 0 HA GLU A 81 0.542 -13.167 -3.572 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.821 -14.928 -1.439 1.00 0.00 H new ATOM 0 HB3 GLU A 81 0.541 -13.400 -0.629 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.551 -13.071 -1.723 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -1.216 -14.308 -2.919 1.00 0.00 H new ATOM 1216 N PRO A 82 2.298 -11.366 -1.411 1.00 0.00 N ATOM 1217 CA PRO A 82 2.566 -9.973 -1.109 1.00 0.00 C ATOM 1218 C PRO A 82 3.330 -9.277 -2.240 1.00 0.00 C ATOM 1219 O PRO A 82 2.984 -8.155 -2.595 1.00 0.00 O ATOM 1220 CB PRO A 82 3.333 -9.968 0.221 1.00 0.00 C ATOM 1221 CG PRO A 82 3.935 -11.366 0.328 1.00 0.00 C ATOM 1222 CD PRO A 82 2.953 -12.239 -0.448 1.00 0.00 C ATOM 0 HA PRO A 82 1.642 -9.402 -1.018 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.108 -9.202 0.228 1.00 0.00 H new ATOM 0 HB3 PRO A 82 2.669 -9.758 1.060 1.00 0.00 H new ATOM 0 HG2 PRO A 82 4.935 -11.406 -0.104 1.00 0.00 H new ATOM 0 HG3 PRO A 82 4.023 -11.686 1.366 1.00 0.00 H new ATOM 0 HD2 PRO A 82 3.473 -13.053 -0.953 1.00 0.00 H new ATOM 0 HD3 PRO A 82 2.224 -12.694 0.223 1.00 0.00 H new ATOM 1230 N PHE A 83 4.357 -9.906 -2.823 1.00 0.00 N ATOM 1231 CA PHE A 83 5.185 -9.276 -3.854 1.00 0.00 C ATOM 1232 C PHE A 83 4.387 -8.949 -5.113 1.00 0.00 C ATOM 1233 O PHE A 83 4.670 -7.932 -5.743 1.00 0.00 O ATOM 1234 CB PHE A 83 6.385 -10.152 -4.224 1.00 0.00 C ATOM 1235 CG PHE A 83 7.314 -10.463 -3.072 1.00 0.00 C ATOM 1236 CD1 PHE A 83 7.069 -11.574 -2.244 1.00 0.00 C ATOM 1237 CD2 PHE A 83 8.437 -9.651 -2.838 1.00 0.00 C ATOM 1238 CE1 PHE A 83 7.947 -11.877 -1.190 1.00 0.00 C ATOM 1239 CE2 PHE A 83 9.308 -9.952 -1.780 1.00 0.00 C ATOM 1240 CZ PHE A 83 9.074 -11.070 -0.962 1.00 0.00 C ATOM 0 H PHE A 83 4.635 -10.860 -2.594 1.00 0.00 H new ATOM 0 HA PHE A 83 5.546 -8.342 -3.424 1.00 0.00 H new ATOM 0 HB2 PHE A 83 6.019 -11.090 -4.642 1.00 0.00 H new ATOM 0 HB3 PHE A 83 6.954 -9.654 -5.009 1.00 0.00 H new ATOM 0 HD1 PHE A 83 6.203 -12.196 -2.419 1.00 0.00 H new ATOM 0 HD2 PHE A 83 8.629 -8.797 -3.471 1.00 0.00 H new ATOM 0 HE1 PHE A 83 7.756 -12.730 -0.555 1.00 0.00 H new ATOM 0 HE2 PHE A 83 10.164 -9.320 -1.593 1.00 0.00 H new ATOM 0 HZ PHE A 83 9.758 -11.308 -0.161 1.00 0.00 H new ATOM 1250 N VAL A 84 3.393 -9.767 -5.465 1.00 0.00 N ATOM 1251 CA VAL A 84 2.469 -9.452 -6.549 1.00 0.00 C ATOM 1252 C VAL A 84 1.720 -8.169 -6.197 1.00 0.00 C ATOM 1253 O VAL A 84 1.726 -7.232 -6.995 1.00 0.00 O ATOM 1254 CB VAL A 84 1.550 -10.657 -6.829 1.00 0.00 C ATOM 1255 CG1 VAL A 84 0.431 -10.359 -7.834 1.00 0.00 C ATOM 1256 CG2 VAL A 84 2.395 -11.802 -7.400 1.00 0.00 C ATOM 0 H VAL A 84 3.209 -10.660 -5.008 1.00 0.00 H new ATOM 0 HA VAL A 84 3.003 -9.267 -7.481 1.00 0.00 H new ATOM 0 HB VAL A 84 1.081 -10.915 -5.879 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.174 -11.254 -7.980 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.197 -9.555 -7.451 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.868 -10.057 -8.786 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.755 -12.661 -7.602 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.870 -11.477 -8.326 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.162 -12.083 -6.678 1.00 0.00 H new ATOM 1266 N ARG A 85 1.137 -8.081 -4.994 1.00 0.00 N ATOM 1267 CA ARG A 85 0.472 -6.855 -4.578 1.00 0.00 C ATOM 1268 C ARG A 85 1.422 -5.668 -4.624 1.00 0.00 C ATOM 1269 O ARG A 85 0.979 -4.603 -5.032 1.00 0.00 O ATOM 1270 CB ARG A 85 -0.164 -6.979 -3.192 1.00 0.00 C ATOM 1271 CG ARG A 85 -1.419 -7.856 -3.182 1.00 0.00 C ATOM 1272 CD ARG A 85 -2.055 -7.789 -1.792 1.00 0.00 C ATOM 1273 NE ARG A 85 -3.349 -8.482 -1.743 1.00 0.00 N ATOM 1274 CZ ARG A 85 -3.938 -8.934 -0.630 1.00 0.00 C ATOM 1275 NH1 ARG A 85 -3.452 -8.646 0.573 1.00 0.00 N ATOM 1276 NH2 ARG A 85 -5.020 -9.686 -0.757 1.00 0.00 N ATOM 0 H ARG A 85 1.116 -8.835 -4.307 1.00 0.00 H new ATOM 0 HA ARG A 85 -0.334 -6.682 -5.292 1.00 0.00 H new ATOM 0 HB2 ARG A 85 0.568 -7.395 -2.499 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.420 -5.985 -2.826 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -2.126 -7.513 -3.938 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -1.162 -8.886 -3.430 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -1.378 -8.234 -1.062 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -2.192 -6.746 -1.506 1.00 0.00 H new ATOM 0 HE ARG A 85 -3.837 -8.630 -2.626 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -2.615 -8.070 0.660 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -3.916 -9.001 1.409 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -5.382 -9.906 -1.685 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -5.491 -10.046 0.073 1.00 0.00 H new ATOM 1290 N MET A 86 2.700 -5.800 -4.251 1.00 0.00 N ATOM 1291 CA MET A 86 3.653 -4.724 -4.358 1.00 0.00 C ATOM 1292 C MET A 86 3.871 -4.319 -5.807 1.00 0.00 C ATOM 1293 O MET A 86 3.792 -3.135 -6.088 1.00 0.00 O ATOM 1294 CB MET A 86 4.971 -5.122 -3.714 1.00 0.00 C ATOM 1295 CG MET A 86 4.803 -5.498 -2.244 1.00 0.00 C ATOM 1296 SD MET A 86 6.277 -5.210 -1.250 1.00 0.00 S ATOM 1297 CE MET A 86 7.023 -6.812 -1.520 1.00 0.00 C ATOM 0 H MET A 86 3.089 -6.662 -3.868 1.00 0.00 H new ATOM 0 HA MET A 86 3.247 -3.862 -3.829 1.00 0.00 H new ATOM 0 HB2 MET A 86 5.399 -5.965 -4.257 1.00 0.00 H new ATOM 0 HB3 MET A 86 5.678 -4.297 -3.798 1.00 0.00 H new ATOM 0 HG2 MET A 86 3.975 -4.927 -1.824 1.00 0.00 H new ATOM 0 HG3 MET A 86 4.530 -6.551 -2.176 1.00 0.00 H new ATOM 0 HE1 MET A 86 7.963 -6.873 -0.972 1.00 0.00 H new ATOM 0 HE2 MET A 86 6.347 -7.592 -1.169 1.00 0.00 H new ATOM 0 HE3 MET A 86 7.214 -6.950 -2.584 1.00 0.00 H new ATOM 1307 N GLN A 87 4.142 -5.256 -6.722 1.00 0.00 N ATOM 1308 CA GLN A 87 4.330 -4.936 -8.133 1.00 0.00 C ATOM 1309 C GLN A 87 3.124 -4.125 -8.646 1.00 0.00 C ATOM 1310 O GLN A 87 3.302 -3.062 -9.235 1.00 0.00 O ATOM 1311 CB GLN A 87 4.563 -6.207 -8.954 1.00 0.00 C ATOM 1312 CG GLN A 87 4.959 -5.883 -10.407 1.00 0.00 C ATOM 1313 CD GLN A 87 6.419 -5.447 -10.557 1.00 0.00 C ATOM 1314 OE1 GLN A 87 6.836 -4.358 -10.169 1.00 0.00 O ATOM 1315 NE2 GLN A 87 7.238 -6.309 -11.127 1.00 0.00 N ATOM 0 H GLN A 87 4.236 -6.248 -6.504 1.00 0.00 H new ATOM 0 HA GLN A 87 5.222 -4.321 -8.248 1.00 0.00 H new ATOM 0 HB2 GLN A 87 5.348 -6.803 -8.487 1.00 0.00 H new ATOM 0 HB3 GLN A 87 3.657 -6.814 -8.950 1.00 0.00 H new ATOM 0 HG2 GLN A 87 4.784 -6.762 -11.028 1.00 0.00 H new ATOM 0 HG3 GLN A 87 4.311 -5.092 -10.785 1.00 0.00 H new ATOM 0 HE21 GLN A 87 6.886 -7.211 -11.447 1.00 0.00 H new ATOM 0 HE22 GLN A 87 8.223 -6.073 -11.248 1.00 0.00 H new ATOM 1324 N LEU A 88 1.896 -4.594 -8.399 1.00 0.00 N ATOM 1325 CA LEU A 88 0.688 -3.888 -8.823 1.00 0.00 C ATOM 1326 C LEU A 88 0.540 -2.547 -8.097 1.00 0.00 C ATOM 1327 O LEU A 88 0.193 -1.560 -8.743 1.00 0.00 O ATOM 1328 CB LEU A 88 -0.574 -4.752 -8.620 1.00 0.00 C ATOM 1329 CG LEU A 88 -0.910 -5.762 -9.739 1.00 0.00 C ATOM 1330 CD1 LEU A 88 -0.943 -5.135 -11.138 1.00 0.00 C ATOM 1331 CD2 LEU A 88 0.030 -6.968 -9.752 1.00 0.00 C ATOM 0 H LEU A 88 1.715 -5.467 -7.903 1.00 0.00 H new ATOM 0 HA LEU A 88 0.793 -3.688 -9.889 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.462 -5.303 -7.686 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.427 -4.085 -8.496 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.916 -6.102 -9.495 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.185 -5.901 -11.875 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.700 -4.351 -11.168 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.032 -4.706 -11.368 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.255 -7.643 -10.559 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.054 -6.629 -9.907 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.038 -7.493 -8.799 1.00 0.00 H new ATOM 1343 N TRP A 89 0.825 -2.471 -6.792 1.00 0.00 N ATOM 1344 CA TRP A 89 0.766 -1.235 -6.025 1.00 0.00 C ATOM 1345 C TRP A 89 1.803 -0.235 -6.538 1.00 0.00 C ATOM 1346 O TRP A 89 1.608 0.957 -6.372 1.00 0.00 O ATOM 1347 CB TRP A 89 0.967 -1.522 -4.529 1.00 0.00 C ATOM 1348 CG TRP A 89 0.878 -0.332 -3.619 1.00 0.00 C ATOM 1349 CD1 TRP A 89 -0.241 0.135 -3.019 1.00 0.00 C ATOM 1350 CD2 TRP A 89 1.946 0.572 -3.216 1.00 0.00 C ATOM 1351 NE1 TRP A 89 0.061 1.249 -2.262 1.00 0.00 N ATOM 1352 CE2 TRP A 89 1.400 1.563 -2.349 1.00 0.00 C ATOM 1353 CE3 TRP A 89 3.324 0.637 -3.496 1.00 0.00 C ATOM 1354 CZ2 TRP A 89 2.177 2.590 -1.800 1.00 0.00 C ATOM 1355 CZ3 TRP A 89 4.127 1.648 -2.936 1.00 0.00 C ATOM 1356 CH2 TRP A 89 3.553 2.625 -2.093 1.00 0.00 C ATOM 0 H TRP A 89 1.106 -3.280 -6.238 1.00 0.00 H new ATOM 0 HA TRP A 89 -0.221 -0.791 -6.154 1.00 0.00 H new ATOM 0 HB2 TRP A 89 0.222 -2.253 -4.215 1.00 0.00 H new ATOM 0 HB3 TRP A 89 1.944 -1.986 -4.395 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -1.225 -0.299 -3.118 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -0.619 1.772 -1.710 1.00 0.00 H new ATOM 0 HE3 TRP A 89 3.771 -0.098 -4.149 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 1.730 3.340 -1.165 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 5.185 1.677 -3.151 1.00 0.00 H new ATOM 0 HH2 TRP A 89 4.173 3.402 -1.671 1.00 0.00 H new ATOM 1367 N LEU A 90 2.907 -0.661 -7.150 1.00 0.00 N ATOM 1368 CA LEU A 90 3.850 0.272 -7.759 1.00 0.00 C ATOM 1369 C LEU A 90 3.254 0.860 -9.040 1.00 0.00 C ATOM 1370 O LEU A 90 3.416 2.052 -9.301 1.00 0.00 O ATOM 1371 CB LEU A 90 5.182 -0.419 -8.067 1.00 0.00 C ATOM 1372 CG LEU A 90 5.954 -0.835 -6.803 1.00 0.00 C ATOM 1373 CD1 LEU A 90 6.979 -1.920 -7.154 1.00 0.00 C ATOM 1374 CD2 LEU A 90 6.602 0.364 -6.102 1.00 0.00 C ATOM 0 H LEU A 90 3.169 -1.643 -7.236 1.00 0.00 H new ATOM 0 HA LEU A 90 4.039 1.078 -7.050 1.00 0.00 H new ATOM 0 HB2 LEU A 90 4.993 -1.302 -8.677 1.00 0.00 H new ATOM 0 HB3 LEU A 90 5.803 0.252 -8.660 1.00 0.00 H new ATOM 0 HG LEU A 90 5.244 -1.251 -6.088 1.00 0.00 H new ATOM 0 HD11 LEU A 90 7.523 -2.211 -6.255 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.463 -2.789 -7.563 1.00 0.00 H new ATOM 0 HD13 LEU A 90 7.680 -1.533 -7.893 1.00 0.00 H new ATOM 0 HD21 LEU A 90 7.136 0.022 -5.215 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.302 0.849 -6.783 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.830 1.075 -5.809 1.00 0.00 H new ATOM 1386 N ASN A 91 2.579 0.024 -9.835 1.00 0.00 N ATOM 1387 CA ASN A 91 1.953 0.420 -11.093 1.00 0.00 C ATOM 1388 C ASN A 91 0.721 1.291 -10.875 1.00 0.00 C ATOM 1389 O ASN A 91 0.405 2.120 -11.728 1.00 0.00 O ATOM 1390 CB ASN A 91 1.551 -0.809 -11.931 1.00 0.00 C ATOM 1391 CG ASN A 91 2.711 -1.459 -12.677 1.00 0.00 C ATOM 1392 OD1 ASN A 91 3.875 -1.100 -12.514 1.00 0.00 O ATOM 1393 ND2 ASN A 91 2.428 -2.390 -13.567 1.00 0.00 N ATOM 0 H ASN A 91 2.452 -0.964 -9.615 1.00 0.00 H new ATOM 0 HA ASN A 91 2.701 1.001 -11.632 1.00 0.00 H new ATOM 0 HB2 ASN A 91 1.094 -1.550 -11.274 1.00 0.00 H new ATOM 0 HB3 ASN A 91 0.790 -0.511 -12.653 1.00 0.00 H new ATOM 0 HD21 ASN A 91 3.175 -2.811 -14.119 1.00 0.00 H new ATOM 0 HD22 ASN A 91 1.462 -2.689 -13.703 1.00 0.00 H new ATOM 1400 N ASP A 92 -0.032 1.069 -9.801 1.00 0.00 N ATOM 1401 CA ASP A 92 -1.233 1.839 -9.498 1.00 0.00 C ATOM 1402 C ASP A 92 -0.846 3.307 -9.298 1.00 0.00 C ATOM 1403 O ASP A 92 0.029 3.591 -8.489 1.00 0.00 O ATOM 1404 CB ASP A 92 -1.933 1.283 -8.254 1.00 0.00 C ATOM 1405 CG ASP A 92 -3.168 0.463 -8.605 1.00 0.00 C ATOM 1406 OD1 ASP A 92 -4.061 1.018 -9.292 1.00 0.00 O ATOM 1407 OD2 ASP A 92 -3.274 -0.715 -8.199 1.00 0.00 O ATOM 0 H ASP A 92 0.176 0.345 -9.113 1.00 0.00 H new ATOM 0 HA ASP A 92 -1.934 1.762 -10.329 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -1.234 0.662 -7.693 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -2.220 2.108 -7.602 1.00 0.00 H new ATOM 1412 N PRO A 93 -1.456 4.267 -10.008 1.00 0.00 N ATOM 1413 CA PRO A 93 -0.949 5.631 -10.026 1.00 0.00 C ATOM 1414 C PRO A 93 -1.417 6.442 -8.809 1.00 0.00 C ATOM 1415 O PRO A 93 -0.847 7.497 -8.518 1.00 0.00 O ATOM 1416 CB PRO A 93 -1.466 6.201 -11.344 1.00 0.00 C ATOM 1417 CG PRO A 93 -2.793 5.474 -11.560 1.00 0.00 C ATOM 1418 CD PRO A 93 -2.621 4.126 -10.865 1.00 0.00 C ATOM 0 HA PRO A 93 0.138 5.670 -9.962 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -1.606 7.280 -11.285 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -0.770 6.014 -12.161 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -3.625 6.035 -11.133 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -3.005 5.347 -12.622 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -3.506 3.871 -10.282 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -2.477 3.327 -11.592 1.00 0.00 H new ATOM 1426 N HIS A 94 -2.465 5.975 -8.119 1.00 0.00 N ATOM 1427 CA HIS A 94 -3.032 6.554 -6.896 1.00 0.00 C ATOM 1428 C HIS A 94 -2.720 5.653 -5.690 1.00 0.00 C ATOM 1429 O HIS A 94 -3.482 5.564 -4.724 1.00 0.00 O ATOM 1430 CB HIS A 94 -4.539 6.772 -7.080 1.00 0.00 C ATOM 1431 CG HIS A 94 -4.838 7.830 -8.107 1.00 0.00 C ATOM 1432 ND1 HIS A 94 -4.815 9.193 -7.892 1.00 0.00 N ATOM 1433 CD2 HIS A 94 -5.134 7.611 -9.425 1.00 0.00 C ATOM 1434 CE1 HIS A 94 -5.097 9.789 -9.059 1.00 0.00 C ATOM 1435 NE2 HIS A 94 -5.280 8.868 -10.021 1.00 0.00 N ATOM 0 H HIS A 94 -2.967 5.138 -8.415 1.00 0.00 H new ATOM 0 HA HIS A 94 -2.577 7.525 -6.700 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -5.006 5.834 -7.380 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -4.982 7.058 -6.126 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -4.619 9.661 -7.007 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -5.235 6.652 -9.911 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -5.167 10.857 -9.206 1.00 0.00 H new ATOM 1443 N ASN A 95 -1.646 4.883 -5.795 1.00 0.00 N ATOM 1444 CA ASN A 95 -1.137 3.965 -4.792 1.00 0.00 C ATOM 1445 C ASN A 95 -0.774 4.673 -3.491 1.00 0.00 C ATOM 1446 O ASN A 95 -1.287 4.304 -2.430 1.00 0.00 O ATOM 1447 CB ASN A 95 0.072 3.220 -5.376 1.00 0.00 C ATOM 1448 CG ASN A 95 1.269 4.090 -5.797 1.00 0.00 C ATOM 1449 OD1 ASN A 95 1.136 5.269 -6.121 1.00 0.00 O ATOM 1450 ND2 ASN A 95 2.470 3.549 -5.734 1.00 0.00 N ATOM 0 H ASN A 95 -1.072 4.885 -6.638 1.00 0.00 H new ATOM 0 HA ASN A 95 -1.923 3.253 -4.538 1.00 0.00 H new ATOM 0 HB2 ASN A 95 0.418 2.496 -4.638 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -0.262 2.654 -6.245 1.00 0.00 H new ATOM 0 HD21 ASN A 95 3.294 4.109 -5.954 1.00 0.00 H new ATOM 0 HD22 ASN A 95 2.575 2.571 -5.465 1.00 0.00 H new ATOM 1457 N VAL A 96 0.103 5.670 -3.551 1.00 0.00 N ATOM 1458 CA VAL A 96 0.560 6.449 -2.428 1.00 0.00 C ATOM 1459 C VAL A 96 -0.582 7.326 -1.933 1.00 0.00 C ATOM 1460 O VAL A 96 -0.719 7.491 -0.727 1.00 0.00 O ATOM 1461 CB VAL A 96 1.792 7.270 -2.851 1.00 0.00 C ATOM 1462 CG1 VAL A 96 2.239 8.141 -1.687 1.00 0.00 C ATOM 1463 CG2 VAL A 96 2.955 6.357 -3.255 1.00 0.00 C ATOM 0 H VAL A 96 0.529 5.963 -4.430 1.00 0.00 H new ATOM 0 HA VAL A 96 0.862 5.805 -1.602 1.00 0.00 H new ATOM 0 HB VAL A 96 1.513 7.884 -3.708 1.00 0.00 H new ATOM 0 HG11 VAL A 96 3.111 8.724 -1.983 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.430 8.815 -1.406 1.00 0.00 H new ATOM 0 HG13 VAL A 96 2.496 7.509 -0.837 1.00 0.00 H new ATOM 0 HG21 VAL A 96 3.810 6.966 -3.549 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.232 5.725 -2.411 1.00 0.00 H new ATOM 0 HG23 VAL A 96 2.651 5.730 -4.093 1.00 0.00 H new ATOM 1473 N GLU A 97 -1.430 7.829 -2.830 1.00 0.00 N ATOM 1474 CA GLU A 97 -2.600 8.624 -2.471 1.00 0.00 C ATOM 1475 C GLU A 97 -3.460 7.873 -1.463 1.00 0.00 C ATOM 1476 O GLU A 97 -3.703 8.368 -0.361 1.00 0.00 O ATOM 1477 CB GLU A 97 -3.439 8.964 -3.707 1.00 0.00 C ATOM 1478 CG GLU A 97 -2.868 10.095 -4.565 1.00 0.00 C ATOM 1479 CD GLU A 97 -3.932 11.154 -4.808 1.00 0.00 C ATOM 1480 OE1 GLU A 97 -4.736 10.985 -5.752 1.00 0.00 O ATOM 1481 OE2 GLU A 97 -4.002 12.140 -4.034 1.00 0.00 O ATOM 0 H GLU A 97 -1.321 7.694 -3.835 1.00 0.00 H new ATOM 0 HA GLU A 97 -2.246 9.554 -2.026 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -3.536 8.070 -4.323 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -4.443 9.240 -3.385 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -2.007 10.541 -4.067 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -2.515 9.698 -5.517 1.00 0.00 H new ATOM 1488 N LYS A 98 -3.898 6.667 -1.833 1.00 0.00 N ATOM 1489 CA LYS A 98 -4.723 5.826 -0.974 1.00 0.00 C ATOM 1490 C LYS A 98 -3.954 5.451 0.289 1.00 0.00 C ATOM 1491 O LYS A 98 -4.560 5.396 1.361 1.00 0.00 O ATOM 1492 CB LYS A 98 -5.198 4.581 -1.748 1.00 0.00 C ATOM 1493 CG LYS A 98 -6.598 4.760 -2.357 1.00 0.00 C ATOM 1494 CD LYS A 98 -6.692 5.762 -3.520 1.00 0.00 C ATOM 1495 CE LYS A 98 -6.900 5.100 -4.885 1.00 0.00 C ATOM 1496 NZ LYS A 98 -5.849 4.124 -5.226 1.00 0.00 N ATOM 0 H LYS A 98 -3.688 6.249 -2.739 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.610 6.381 -0.667 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -4.486 4.359 -2.543 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -5.205 3.722 -1.077 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -6.949 3.790 -2.708 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -7.280 5.080 -1.569 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -7.516 6.450 -3.330 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -5.780 6.358 -3.550 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -7.868 4.599 -4.894 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -6.933 5.872 -5.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -5.950 3.839 -6.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -4.914 4.556 -5.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -5.941 3.287 -4.615 1.00 0.00 H new ATOM 1510 N LEU A 99 -2.640 5.227 0.185 1.00 0.00 N ATOM 1511 CA LEU A 99 -1.821 4.843 1.324 1.00 0.00 C ATOM 1512 C LEU A 99 -1.686 5.982 2.338 1.00 0.00 C ATOM 1513 O LEU A 99 -1.808 5.744 3.538 1.00 0.00 O ATOM 1514 CB LEU A 99 -0.443 4.362 0.848 1.00 0.00 C ATOM 1515 CG LEU A 99 0.457 3.899 2.007 1.00 0.00 C ATOM 1516 CD1 LEU A 99 -0.137 2.704 2.745 1.00 0.00 C ATOM 1517 CD2 LEU A 99 1.811 3.464 1.458 1.00 0.00 C ATOM 0 H LEU A 99 -2.122 5.308 -0.690 1.00 0.00 H new ATOM 0 HA LEU A 99 -2.322 4.020 1.834 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -0.573 3.540 0.144 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.053 5.169 0.308 1.00 0.00 H new ATOM 0 HG LEU A 99 0.551 4.739 2.695 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.530 2.409 3.555 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.109 2.977 3.156 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -0.257 1.871 2.052 1.00 0.00 H new ATOM 0 HD21 LEU A 99 2.448 3.136 2.279 1.00 0.00 H new ATOM 0 HD22 LEU A 99 1.672 2.642 0.756 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.282 4.303 0.946 1.00 0.00 H new ATOM 1529 N ARG A 100 -1.427 7.219 1.900 1.00 0.00 N ATOM 1530 CA ARG A 100 -1.384 8.359 2.811 1.00 0.00 C ATOM 1531 C ARG A 100 -2.760 8.542 3.420 1.00 0.00 C ATOM 1532 O ARG A 100 -2.853 8.807 4.613 1.00 0.00 O ATOM 1533 CB ARG A 100 -0.978 9.675 2.115 1.00 0.00 C ATOM 1534 CG ARG A 100 0.517 9.766 1.781 1.00 0.00 C ATOM 1535 CD ARG A 100 0.889 11.148 1.219 1.00 0.00 C ATOM 1536 NE ARG A 100 1.010 12.185 2.265 1.00 0.00 N ATOM 1537 CZ ARG A 100 1.567 13.393 2.098 1.00 0.00 C ATOM 1538 NH1 ARG A 100 1.847 13.840 0.883 1.00 0.00 N ATOM 1539 NH2 ARG A 100 1.854 14.158 3.143 1.00 0.00 N ATOM 0 H ARG A 100 -1.245 7.452 0.924 1.00 0.00 H new ATOM 0 HA ARG A 100 -0.628 8.143 3.566 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -1.553 9.780 1.195 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -1.248 10.513 2.758 1.00 0.00 H new ATOM 0 HG2 ARG A 100 1.103 9.568 2.678 1.00 0.00 H new ATOM 0 HG3 ARG A 100 0.776 8.996 1.054 1.00 0.00 H new ATOM 0 HD2 ARG A 100 1.833 11.072 0.680 1.00 0.00 H new ATOM 0 HD3 ARG A 100 0.133 11.455 0.496 1.00 0.00 H new ATOM 0 HE ARG A 100 0.640 11.964 3.189 1.00 0.00 H new ATOM 0 HH11 ARG A 100 1.639 13.264 0.067 1.00 0.00 H new ATOM 0 HH12 ARG A 100 2.271 14.760 0.763 1.00 0.00 H new ATOM 0 HH21 ARG A 100 1.651 13.829 4.087 1.00 0.00 H new ATOM 0 HH22 ARG A 100 2.278 15.075 3.003 1.00 0.00 H new ATOM 1553 N ASP A 101 -3.822 8.359 2.633 1.00 0.00 N ATOM 1554 CA ASP A 101 -5.201 8.574 3.062 1.00 0.00 C ATOM 1555 C ASP A 101 -5.593 7.715 4.266 1.00 0.00 C ATOM 1556 O ASP A 101 -6.470 8.090 5.041 1.00 0.00 O ATOM 1557 CB ASP A 101 -6.161 8.310 1.900 1.00 0.00 C ATOM 1558 CG ASP A 101 -7.450 9.083 2.101 1.00 0.00 C ATOM 1559 OD1 ASP A 101 -8.362 8.583 2.799 1.00 0.00 O ATOM 1560 OD2 ASP A 101 -7.492 10.225 1.594 1.00 0.00 O ATOM 0 H ASP A 101 -3.744 8.052 1.663 1.00 0.00 H new ATOM 0 HA ASP A 101 -5.273 9.615 3.377 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -5.695 8.604 0.959 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -6.375 7.243 1.830 1.00 0.00 H new ATOM 1565 N MET A 102 -4.896 6.596 4.473 1.00 0.00 N ATOM 1566 CA MET A 102 -5.034 5.759 5.656 1.00 0.00 C ATOM 1567 C MET A 102 -4.708 6.550 6.923 1.00 0.00 C ATOM 1568 O MET A 102 -5.457 6.521 7.895 1.00 0.00 O ATOM 1569 CB MET A 102 -4.046 4.601 5.580 1.00 0.00 C ATOM 1570 CG MET A 102 -4.197 3.691 4.366 1.00 0.00 C ATOM 1571 SD MET A 102 -5.740 2.765 4.292 1.00 0.00 S ATOM 1572 CE MET A 102 -5.493 2.059 2.650 1.00 0.00 C ATOM 0 H MET A 102 -4.208 6.244 3.808 1.00 0.00 H new ATOM 0 HA MET A 102 -6.063 5.401 5.692 1.00 0.00 H new ATOM 0 HB2 MET A 102 -3.035 5.008 5.584 1.00 0.00 H new ATOM 0 HB3 MET A 102 -4.151 3.997 6.481 1.00 0.00 H new ATOM 0 HG2 MET A 102 -4.112 4.297 3.464 1.00 0.00 H new ATOM 0 HG3 MET A 102 -3.367 2.985 4.355 1.00 0.00 H new ATOM 0 HE1 MET A 102 -5.962 1.076 2.602 1.00 0.00 H new ATOM 0 HE2 MET A 102 -5.942 2.712 1.902 1.00 0.00 H new ATOM 0 HE3 MET A 102 -4.425 1.962 2.453 1.00 0.00 H new ATOM 1582 N LYS A 103 -3.558 7.231 6.922 1.00 0.00 N ATOM 1583 CA LYS A 103 -3.078 8.051 8.029 1.00 0.00 C ATOM 1584 C LYS A 103 -3.831 9.382 8.057 1.00 0.00 C ATOM 1585 O LYS A 103 -4.084 9.927 9.131 1.00 0.00 O ATOM 1586 CB LYS A 103 -1.567 8.291 7.846 1.00 0.00 C ATOM 1587 CG LYS A 103 -0.783 8.309 9.166 1.00 0.00 C ATOM 1588 CD LYS A 103 0.605 8.930 8.952 1.00 0.00 C ATOM 1589 CE LYS A 103 1.568 8.616 10.105 1.00 0.00 C ATOM 1590 NZ LYS A 103 2.443 9.768 10.407 1.00 0.00 N ATOM 0 H LYS A 103 -2.920 7.224 6.126 1.00 0.00 H new ATOM 0 HA LYS A 103 -3.253 7.540 8.976 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -1.159 7.512 7.202 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -1.418 9.240 7.332 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -1.332 8.879 9.916 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -0.680 7.294 9.550 1.00 0.00 H new ATOM 0 HD2 LYS A 103 1.027 8.558 8.018 1.00 0.00 H new ATOM 0 HD3 LYS A 103 0.505 10.011 8.849 1.00 0.00 H new ATOM 0 HE2 LYS A 103 0.998 8.348 10.994 1.00 0.00 H new ATOM 0 HE3 LYS A 103 2.179 7.752 9.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 3.081 9.523 11.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 3.004 10.008 9.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 1.860 10.585 10.678 1.00 0.00 H new ATOM 1604 N LYS A 104 -4.158 9.889 6.859 1.00 0.00 N ATOM 1605 CA LYS A 104 -4.569 11.238 6.533 1.00 0.00 C ATOM 1606 C LYS A 104 -3.851 12.223 7.458 1.00 0.00 C ATOM 1607 O LYS A 104 -2.633 12.105 7.620 1.00 0.00 O ATOM 1608 CB LYS A 104 -6.107 11.308 6.451 1.00 0.00 C ATOM 1609 CG LYS A 104 -6.551 12.480 5.566 1.00 0.00 C ATOM 1610 CD LYS A 104 -7.129 12.079 4.198 1.00 0.00 C ATOM 1611 CE LYS A 104 -8.662 11.987 4.158 1.00 0.00 C ATOM 1612 NZ LYS A 104 -9.204 10.642 4.434 1.00 0.00 N ATOM 0 H LYS A 104 -4.135 9.301 6.026 1.00 0.00 H new ATOM 0 HA LYS A 104 -4.255 11.550 5.537 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -6.497 10.373 6.048 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -6.524 11.423 7.451 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -7.301 13.059 6.105 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -5.697 13.137 5.404 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -6.801 12.803 3.452 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -6.712 11.114 3.910 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -9.074 12.687 4.885 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -9.007 12.309 3.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -10.225 10.711 4.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -9.044 10.028 3.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -8.726 10.239 5.265 1.00 0.00 H new ATOM 1626 N LEU A 105 -4.557 13.196 8.029 1.00 0.00 N ATOM 1627 CA LEU A 105 -4.018 14.041 9.085 1.00 0.00 C ATOM 1628 C LEU A 105 -4.287 13.317 10.401 1.00 0.00 C ATOM 1629 O LEU A 105 -5.362 12.733 10.557 1.00 0.00 O ATOM 1630 CB LEU A 105 -4.704 15.411 9.081 1.00 0.00 C ATOM 1631 CG LEU A 105 -4.602 16.122 7.716 1.00 0.00 C ATOM 1632 CD1 LEU A 105 -5.963 16.158 7.017 1.00 0.00 C ATOM 1633 CD2 LEU A 105 -4.066 17.542 7.869 1.00 0.00 C ATOM 0 H LEU A 105 -5.518 13.419 7.771 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.951 14.213 8.941 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -5.754 15.288 9.345 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -4.254 16.041 9.849 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.903 15.551 7.105 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -5.866 16.664 6.057 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -6.316 15.140 6.856 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -6.678 16.696 7.640 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -4.006 18.016 6.889 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.735 18.116 8.510 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.073 17.510 8.318 1.00 0.00 H new ATOM 1645 N SER A 106 -3.374 13.389 11.369 1.00 0.00 N ATOM 1646 CA SER A 106 -3.591 12.886 12.729 1.00 0.00 C ATOM 1647 C SER A 106 -3.263 13.999 13.729 1.00 0.00 C ATOM 1648 O SER A 106 -2.610 14.986 13.364 1.00 0.00 O ATOM 1649 CB SER A 106 -2.732 11.638 13.010 1.00 0.00 C ATOM 1650 OG SER A 106 -2.583 10.755 11.902 1.00 0.00 O ATOM 0 H SER A 106 -2.452 13.803 11.231 1.00 0.00 H new ATOM 0 HA SER A 106 -4.635 12.591 12.834 1.00 0.00 H new ATOM 0 HB2 SER A 106 -1.743 11.960 13.336 1.00 0.00 H new ATOM 0 HB3 SER A 106 -3.176 11.087 13.839 1.00 0.00 H new ATOM 0 HG SER A 106 -2.025 9.993 12.164 1.00 0.00 H new ATOM 1656 N GLY A 107 -3.658 13.839 14.994 1.00 0.00 N ATOM 1657 CA GLY A 107 -3.220 14.739 16.058 1.00 0.00 C ATOM 1658 C GLY A 107 -1.737 14.535 16.379 1.00 0.00 C ATOM 1659 O GLY A 107 -1.146 13.573 15.883 1.00 0.00 O ATOM 0 H GLY A 107 -4.281 13.093 15.305 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -3.391 15.773 15.757 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -3.816 14.565 16.954 1.00 0.00 H new ATOM 1663 N PRO A 108 -1.146 15.404 17.220 1.00 0.00 N ATOM 1664 CA PRO A 108 0.283 15.394 17.518 1.00 0.00 C ATOM 1665 C PRO A 108 0.720 14.045 18.086 1.00 0.00 C ATOM 1666 O PRO A 108 -0.040 13.396 18.814 1.00 0.00 O ATOM 1667 CB PRO A 108 0.519 16.532 18.522 1.00 0.00 C ATOM 1668 CG PRO A 108 -0.869 16.843 19.082 1.00 0.00 C ATOM 1669 CD PRO A 108 -1.805 16.489 17.930 1.00 0.00 C ATOM 0 HA PRO A 108 0.876 15.543 16.615 1.00 0.00 H new ATOM 0 HB2 PRO A 108 1.207 16.228 19.311 1.00 0.00 H new ATOM 0 HB3 PRO A 108 0.956 17.405 18.037 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -1.085 16.251 19.971 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -0.961 17.891 19.367 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -2.783 16.181 18.299 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -1.966 17.346 17.276 1.00 0.00 H new ATOM 1677 N SER A 109 1.957 13.639 17.815 1.00 0.00 N ATOM 1678 CA SER A 109 2.558 12.430 18.361 1.00 0.00 C ATOM 1679 C SER A 109 4.015 12.738 18.713 1.00 0.00 C ATOM 1680 O SER A 109 4.751 13.277 17.878 1.00 0.00 O ATOM 1681 CB SER A 109 2.371 11.256 17.384 1.00 0.00 C ATOM 1682 OG SER A 109 2.435 11.605 16.007 1.00 0.00 O ATOM 0 H SER A 109 2.582 14.154 17.195 1.00 0.00 H new ATOM 0 HA SER A 109 2.065 12.113 19.280 1.00 0.00 H new ATOM 0 HB2 SER A 109 3.135 10.507 17.589 1.00 0.00 H new ATOM 0 HB3 SER A 109 1.406 10.789 17.581 1.00 0.00 H new ATOM 0 HG SER A 109 2.308 10.802 15.460 1.00 0.00 H new ATOM 1688 N SER A 110 4.385 12.446 19.966 1.00 0.00 N ATOM 1689 CA SER A 110 5.608 12.906 20.619 1.00 0.00 C ATOM 1690 C SER A 110 5.757 14.440 20.541 1.00 0.00 C ATOM 1691 O SER A 110 4.813 15.160 20.192 1.00 0.00 O ATOM 1692 CB SER A 110 6.801 12.116 20.049 1.00 0.00 C ATOM 1693 OG SER A 110 6.568 10.730 20.223 1.00 0.00 O ATOM 0 H SER A 110 3.814 11.859 20.574 1.00 0.00 H new ATOM 0 HA SER A 110 5.566 12.701 21.689 1.00 0.00 H new ATOM 0 HB2 SER A 110 6.932 12.345 18.991 1.00 0.00 H new ATOM 0 HB3 SER A 110 7.721 12.409 20.555 1.00 0.00 H new ATOM 0 HG SER A 110 7.324 10.223 19.860 1.00 0.00 H new ATOM 1699 N GLY A 111 6.931 14.946 20.922 1.00 0.00 N ATOM 1700 CA GLY A 111 7.415 16.236 20.454 1.00 0.00 C ATOM 1701 C GLY A 111 8.078 15.982 19.118 1.00 0.00 C ATOM 1702 O GLY A 111 7.952 16.818 18.204 1.00 0.00 O ATOM 0 H GLY A 111 7.568 14.471 21.562 1.00 0.00 H new ATOM 0 HA2 GLY A 111 6.594 16.946 20.352 1.00 0.00 H new ATOM 0 HA3 GLY A 111 8.122 16.667 21.163 1.00 0.00 H new TER 1706 GLY A 111