USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 729 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 18 ASN : amide:sc= -0.575 X(o=-2.7,f=-2.4) USER MOD Set 1.2: A 87 GLN : amide:sc= -2.1 K(o=-2.7,f=-7.2!) USER MOD Set 1.3: A 89 GLN : amide:sc= -0.0116 X(o=-2.7,f=-2.9) USER MOD Set 2.1: A 80 MET CE :methyl -144:sc= -4.71! (180deg=-4.81!) USER MOD Set 2.2: A 84 GLN : amide:sc= -2.93! K(o=-7.6!,f=-4.4) USER MOD Set 3.1: A 14 GLN : amide:sc= -1.11 K(o=-0.26,f=-12!) USER MOD Set 3.2: A 31 SER OG : rot 44:sc= 0.848 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 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 9 HIS : no HD1:sc= -0.544 X(o=-0.54,f=-0.23) USER MOD Single : A 10 SER OG : rot -105:sc= 0.00953 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= -1.21 USER MOD Single : A 22 LYS NZ :NH3+ -167:sc= 0.0477 (180deg=0.0371) USER MOD Single : A 23 ASN : amide:sc= -1.08 K(o=-1.1,f=-1.7!) USER MOD Single : A 26 GLN : amide:sc= -0.836 K(o=-0.84,f=-3!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0279 USER MOD Single : A 44 MET CE :methyl 177:sc= -1.27 (180deg=-1.28) USER MOD Single : A 46 LYS NZ :NH3+ 169:sc= -1.23! (180deg=-1.51!) USER MOD Single : A 48 SER OG : rot -176:sc= 0.537! USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 38:sc= 0.109 USER MOD Single : A 55 GLN : amide:sc= -0.673 X(o=-0.67,f=-0.59) USER MOD Single : A 57 LYS NZ :NH3+ 162:sc= -0.0103 (180deg=-0.179) USER MOD Single : A 58 TYR OH : rot 165:sc= -0.0437 USER MOD Single : A 63 ASN : amide:sc= -3.59! C(o=-3.6!,f=-7.2!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.0623 K(o=-0.062,f=-3.6!) USER MOD Single : A 74 TYR OH : rot -140:sc= -1.53 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= -0.56 K(o=-0.56,f=-4.1!) USER MOD Single : A 90 MET CE :methyl -156:sc= -0.173 (180deg=-0.584) USER MOD Single : A 91 GLN : amide:sc= -1.49 K(o=-1.5,f=-3.2!) USER MOD Single : A 93 HIS : no HD1:sc= 0.191 K(o=0.19,f=-0.74) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.446 -36.115 -19.335 1.00 0.00 N ATOM 2 CA GLY A 1 -8.760 -34.696 -19.334 1.00 0.00 C ATOM 3 C GLY A 1 -7.919 -33.950 -18.296 1.00 0.00 C ATOM 4 O GLY A 1 -6.760 -33.626 -18.547 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.029 -36.599 -20.047 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.440 -36.248 -19.563 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.644 -36.515 -18.396 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.577 -34.278 -20.324 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.819 -34.554 -19.119 1.00 0.00 H new ATOM 8 N SER A 2 -8.537 -33.698 -17.151 1.00 0.00 N ATOM 9 CA SER A 2 -7.861 -32.996 -16.074 1.00 0.00 C ATOM 10 C SER A 2 -8.501 -33.355 -14.731 1.00 0.00 C ATOM 11 O SER A 2 -9.724 -33.428 -14.623 1.00 0.00 O ATOM 12 CB SER A 2 -7.900 -31.482 -16.293 1.00 0.00 C ATOM 13 OG SER A 2 -9.212 -31.022 -16.607 1.00 0.00 O ATOM 0 H SER A 2 -9.499 -33.968 -16.946 1.00 0.00 H new ATOM 0 HA SER A 2 -6.817 -33.308 -16.066 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.544 -30.976 -15.395 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.219 -31.215 -17.101 1.00 0.00 H new ATOM 0 HG SER A 2 -9.196 -30.051 -16.738 1.00 0.00 H new ATOM 19 N SER A 3 -7.646 -33.570 -13.743 1.00 0.00 N ATOM 20 CA SER A 3 -8.113 -33.919 -12.412 1.00 0.00 C ATOM 21 C SER A 3 -8.194 -32.665 -11.539 1.00 0.00 C ATOM 22 O SER A 3 -7.309 -32.415 -10.722 1.00 0.00 O ATOM 23 CB SER A 3 -7.198 -34.960 -11.763 1.00 0.00 C ATOM 24 OG SER A 3 -7.777 -35.519 -10.587 1.00 0.00 O ATOM 0 H SER A 3 -6.632 -33.509 -13.837 1.00 0.00 H new ATOM 0 HA SER A 3 -9.108 -34.355 -12.502 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.989 -35.756 -12.478 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.243 -34.498 -11.513 1.00 0.00 H new ATOM 0 HG SER A 3 -7.164 -36.180 -10.203 1.00 0.00 H new ATOM 30 N GLY A 4 -9.263 -31.910 -11.742 1.00 0.00 N ATOM 31 CA GLY A 4 -9.471 -30.687 -10.984 1.00 0.00 C ATOM 32 C GLY A 4 -8.148 -29.955 -10.752 1.00 0.00 C ATOM 33 O GLY A 4 -7.199 -30.122 -11.516 1.00 0.00 O ATOM 0 H GLY A 4 -9.995 -32.121 -12.420 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.162 -30.036 -11.519 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.933 -30.923 -10.026 1.00 0.00 H new ATOM 37 N SER A 5 -8.127 -29.158 -9.694 1.00 0.00 N ATOM 38 CA SER A 5 -6.936 -28.399 -9.351 1.00 0.00 C ATOM 39 C SER A 5 -7.041 -27.881 -7.915 1.00 0.00 C ATOM 40 O SER A 5 -8.093 -27.397 -7.501 1.00 0.00 O ATOM 41 CB SER A 5 -6.727 -27.235 -10.322 1.00 0.00 C ATOM 42 OG SER A 5 -7.702 -26.210 -10.144 1.00 0.00 O ATOM 0 H SER A 5 -8.916 -29.021 -9.062 1.00 0.00 H new ATOM 0 HA SER A 5 -6.074 -29.061 -9.429 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.731 -26.817 -10.178 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.772 -27.605 -11.346 1.00 0.00 H new ATOM 0 HG SER A 5 -7.534 -25.484 -10.781 1.00 0.00 H new ATOM 48 N SER A 6 -5.935 -28.000 -7.195 1.00 0.00 N ATOM 49 CA SER A 6 -5.889 -27.550 -5.814 1.00 0.00 C ATOM 50 C SER A 6 -5.481 -26.077 -5.758 1.00 0.00 C ATOM 51 O SER A 6 -5.099 -25.495 -6.772 1.00 0.00 O ATOM 52 CB SER A 6 -4.921 -28.401 -4.990 1.00 0.00 C ATOM 53 OG SER A 6 -5.501 -29.644 -4.603 1.00 0.00 O ATOM 0 H SER A 6 -5.064 -28.402 -7.542 1.00 0.00 H new ATOM 0 HA SER A 6 -6.884 -27.661 -5.384 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.017 -28.587 -5.571 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.620 -27.849 -4.100 1.00 0.00 H new ATOM 0 HG SER A 6 -4.852 -30.159 -4.080 1.00 0.00 H new ATOM 59 N GLY A 7 -5.575 -25.515 -4.561 1.00 0.00 N ATOM 60 CA GLY A 7 -5.220 -24.121 -4.359 1.00 0.00 C ATOM 61 C GLY A 7 -4.723 -23.883 -2.932 1.00 0.00 C ATOM 62 O GLY A 7 -5.027 -24.659 -2.027 1.00 0.00 O ATOM 0 H GLY A 7 -5.892 -26.000 -3.722 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.446 -23.832 -5.070 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.086 -23.489 -4.556 1.00 0.00 H new ATOM 66 N PRO A 8 -3.945 -22.779 -2.771 1.00 0.00 N ATOM 67 CA PRO A 8 -3.402 -22.429 -1.469 1.00 0.00 C ATOM 68 C PRO A 8 -4.486 -21.841 -0.563 1.00 0.00 C ATOM 69 O PRO A 8 -5.658 -21.804 -0.935 1.00 0.00 O ATOM 70 CB PRO A 8 -2.277 -21.450 -1.763 1.00 0.00 C ATOM 71 CG PRO A 8 -2.531 -20.932 -3.169 1.00 0.00 C ATOM 72 CD PRO A 8 -3.564 -21.838 -3.820 1.00 0.00 C ATOM 0 HA PRO A 8 -3.026 -23.294 -0.923 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -2.272 -20.633 -1.041 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -1.306 -21.940 -1.697 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.891 -19.904 -3.138 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -1.607 -20.929 -3.747 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -4.424 -21.269 -4.173 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -3.148 -22.356 -4.684 1.00 0.00 H new ATOM 80 N HIS A 9 -4.055 -21.395 0.607 1.00 0.00 N ATOM 81 CA HIS A 9 -4.974 -20.810 1.569 1.00 0.00 C ATOM 82 C HIS A 9 -4.199 -20.356 2.808 1.00 0.00 C ATOM 83 O HIS A 9 -3.240 -21.007 3.218 1.00 0.00 O ATOM 84 CB HIS A 9 -6.105 -21.784 1.902 1.00 0.00 C ATOM 85 CG HIS A 9 -7.477 -21.290 1.509 1.00 0.00 C ATOM 86 ND1 HIS A 9 -8.643 -21.811 2.043 1.00 0.00 N ATOM 87 CD2 HIS A 9 -7.856 -20.318 0.631 1.00 0.00 C ATOM 88 CE1 HIS A 9 -9.671 -21.173 1.503 1.00 0.00 C ATOM 89 NE2 HIS A 9 -9.182 -20.249 0.627 1.00 0.00 N ATOM 0 H HIS A 9 -3.082 -21.427 0.911 1.00 0.00 H new ATOM 0 HA HIS A 9 -5.447 -19.929 1.136 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -5.914 -22.732 1.399 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -6.095 -21.984 2.974 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -7.190 -19.708 0.039 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -10.714 -21.353 1.719 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -9.742 -19.611 0.062 1.00 0.00 H new ATOM 97 N SER A 10 -4.645 -19.241 3.370 1.00 0.00 N ATOM 98 CA SER A 10 -4.006 -18.692 4.553 1.00 0.00 C ATOM 99 C SER A 10 -4.999 -17.824 5.329 1.00 0.00 C ATOM 100 O SER A 10 -5.885 -17.210 4.738 1.00 0.00 O ATOM 101 CB SER A 10 -2.765 -17.878 4.182 1.00 0.00 C ATOM 102 OG SER A 10 -1.609 -18.312 4.892 1.00 0.00 O ATOM 0 H SER A 10 -5.441 -18.704 3.027 1.00 0.00 H new ATOM 0 HA SER A 10 -3.687 -19.521 5.185 1.00 0.00 H new ATOM 0 HB2 SER A 10 -2.584 -17.961 3.110 1.00 0.00 H new ATOM 0 HB3 SER A 10 -2.946 -16.824 4.394 1.00 0.00 H new ATOM 0 HG SER A 10 -1.392 -17.661 5.592 1.00 0.00 H new ATOM 108 N MET A 11 -4.816 -17.800 6.641 1.00 0.00 N ATOM 109 CA MET A 11 -5.684 -17.017 7.504 1.00 0.00 C ATOM 110 C MET A 11 -4.867 -16.120 8.435 1.00 0.00 C ATOM 111 O MET A 11 -4.351 -16.581 9.452 1.00 0.00 O ATOM 112 CB MET A 11 -6.559 -17.957 8.336 1.00 0.00 C ATOM 113 CG MET A 11 -7.788 -18.408 7.544 1.00 0.00 C ATOM 114 SD MET A 11 -8.463 -19.897 8.261 1.00 0.00 S ATOM 115 CE MET A 11 -9.774 -20.234 7.098 1.00 0.00 C ATOM 0 H MET A 11 -4.079 -18.310 7.128 1.00 0.00 H new ATOM 0 HA MET A 11 -6.311 -16.382 6.878 1.00 0.00 H new ATOM 0 HB2 MET A 11 -5.978 -18.828 8.639 1.00 0.00 H new ATOM 0 HB3 MET A 11 -6.875 -17.452 9.249 1.00 0.00 H new ATOM 0 HG2 MET A 11 -8.541 -17.620 7.545 1.00 0.00 H new ATOM 0 HG3 MET A 11 -7.515 -18.587 6.504 1.00 0.00 H new ATOM 0 HE1 MET A 11 -10.303 -21.139 7.398 1.00 0.00 H new ATOM 0 HE2 MET A 11 -10.470 -19.395 7.081 1.00 0.00 H new ATOM 0 HE3 MET A 11 -9.351 -20.374 6.103 1.00 0.00 H new ATOM 125 N GLU A 12 -4.775 -14.854 8.055 1.00 0.00 N ATOM 126 CA GLU A 12 -4.030 -13.888 8.843 1.00 0.00 C ATOM 127 C GLU A 12 -4.108 -12.503 8.198 1.00 0.00 C ATOM 128 O GLU A 12 -4.052 -12.380 6.976 1.00 0.00 O ATOM 129 CB GLU A 12 -2.575 -14.330 9.020 1.00 0.00 C ATOM 130 CG GLU A 12 -1.888 -14.507 7.665 1.00 0.00 C ATOM 131 CD GLU A 12 -0.563 -15.258 7.816 1.00 0.00 C ATOM 132 OE1 GLU A 12 0.385 -14.635 8.340 1.00 0.00 O ATOM 133 OE2 GLU A 12 -0.530 -16.438 7.404 1.00 0.00 O ATOM 0 H GLU A 12 -5.205 -14.475 7.211 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.481 -13.831 9.834 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.036 -13.590 9.611 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.541 -15.268 9.575 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -2.545 -15.054 6.989 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -1.708 -13.531 7.214 1.00 0.00 H new ATOM 140 N PRO A 13 -4.239 -11.469 9.072 1.00 0.00 N ATOM 141 CA PRO A 13 -4.325 -10.097 8.600 1.00 0.00 C ATOM 142 C PRO A 13 -2.956 -9.586 8.147 1.00 0.00 C ATOM 143 O PRO A 13 -2.841 -8.956 7.097 1.00 0.00 O ATOM 144 CB PRO A 13 -4.894 -9.313 9.771 1.00 0.00 C ATOM 145 CG PRO A 13 -4.670 -10.179 11.000 1.00 0.00 C ATOM 146 CD PRO A 13 -4.308 -11.577 10.526 1.00 0.00 C ATOM 0 HA PRO A 13 -4.962 -9.994 7.722 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -4.395 -8.350 9.876 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -5.955 -9.108 9.625 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -3.872 -9.767 11.617 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -5.568 -10.206 11.617 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -3.356 -11.903 10.945 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -5.058 -12.306 10.834 1.00 0.00 H new ATOM 154 N GLN A 14 -1.952 -9.877 8.961 1.00 0.00 N ATOM 155 CA GLN A 14 -0.595 -9.455 8.657 1.00 0.00 C ATOM 156 C GLN A 14 -0.335 -9.549 7.153 1.00 0.00 C ATOM 157 O GLN A 14 -0.086 -10.633 6.629 1.00 0.00 O ATOM 158 CB GLN A 14 0.425 -10.281 9.443 1.00 0.00 C ATOM 159 CG GLN A 14 0.420 -9.894 10.924 1.00 0.00 C ATOM 160 CD GLN A 14 -0.676 -10.646 11.683 1.00 0.00 C ATOM 161 OE1 GLN A 14 -1.732 -10.116 11.985 1.00 0.00 O ATOM 162 NE2 GLN A 14 -0.366 -11.907 11.972 1.00 0.00 N ATOM 0 H GLN A 14 -2.051 -10.400 9.831 1.00 0.00 H new ATOM 0 HA GLN A 14 -0.482 -8.414 8.961 1.00 0.00 H new ATOM 0 HB2 GLN A 14 0.196 -11.342 9.340 1.00 0.00 H new ATOM 0 HB3 GLN A 14 1.421 -10.128 9.027 1.00 0.00 H new ATOM 0 HG2 GLN A 14 1.391 -10.117 11.365 1.00 0.00 H new ATOM 0 HG3 GLN A 14 0.264 -8.820 11.022 1.00 0.00 H new ATOM 0 HE21 GLN A 14 0.537 -12.288 11.689 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -1.031 -12.493 12.476 1.00 0.00 H new ATOM 171 N VAL A 15 -0.401 -8.398 6.500 1.00 0.00 N ATOM 172 CA VAL A 15 -0.175 -8.336 5.066 1.00 0.00 C ATOM 173 C VAL A 15 1.220 -7.770 4.797 1.00 0.00 C ATOM 174 O VAL A 15 1.656 -6.837 5.471 1.00 0.00 O ATOM 175 CB VAL A 15 -1.288 -7.528 4.395 1.00 0.00 C ATOM 176 CG1 VAL A 15 -0.817 -6.952 3.058 1.00 0.00 C ATOM 177 CG2 VAL A 15 -2.548 -8.376 4.214 1.00 0.00 C ATOM 0 H VAL A 15 -0.608 -7.500 6.938 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.209 -9.335 4.631 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.538 -6.693 5.050 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.627 -6.382 2.602 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.038 -6.297 3.225 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.527 -7.766 2.393 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.323 -7.778 3.735 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.319 -9.240 3.590 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.901 -8.715 5.188 1.00 0.00 H new ATOM 187 N THR A 16 1.883 -8.357 3.812 1.00 0.00 N ATOM 188 CA THR A 16 3.220 -7.922 3.446 1.00 0.00 C ATOM 189 C THR A 16 3.154 -6.868 2.338 1.00 0.00 C ATOM 190 O THR A 16 2.948 -7.200 1.172 1.00 0.00 O ATOM 191 CB THR A 16 4.031 -9.160 3.058 1.00 0.00 C ATOM 192 OG1 THR A 16 3.987 -9.981 4.222 1.00 0.00 O ATOM 193 CG2 THR A 16 5.518 -8.853 2.874 1.00 0.00 C ATOM 0 H THR A 16 1.519 -9.131 3.256 1.00 0.00 H new ATOM 0 HA THR A 16 3.721 -7.437 4.284 1.00 0.00 H new ATOM 0 HB THR A 16 3.632 -9.581 2.135 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.487 -10.808 4.058 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.047 -9.766 2.599 1.00 0.00 H new ATOM 0 HG22 THR A 16 5.641 -8.111 2.085 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.927 -8.463 3.806 1.00 0.00 H new ATOM 201 N LEU A 17 3.332 -5.619 2.743 1.00 0.00 N ATOM 202 CA LEU A 17 3.295 -4.515 1.799 1.00 0.00 C ATOM 203 C LEU A 17 4.691 -4.310 1.206 1.00 0.00 C ATOM 204 O LEU A 17 5.549 -3.686 1.829 1.00 0.00 O ATOM 205 CB LEU A 17 2.719 -3.262 2.462 1.00 0.00 C ATOM 206 CG LEU A 17 1.237 -3.323 2.838 1.00 0.00 C ATOM 207 CD1 LEU A 17 0.777 -2.009 3.471 1.00 0.00 C ATOM 208 CD2 LEU A 17 0.381 -3.708 1.629 1.00 0.00 C ATOM 0 H LEU A 17 3.502 -5.347 3.711 1.00 0.00 H new ATOM 0 HA LEU A 17 2.626 -4.745 0.970 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.294 -3.056 3.365 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.868 -2.418 1.789 1.00 0.00 H new ATOM 0 HG LEU A 17 1.106 -4.104 3.587 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.280 -2.080 3.729 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.358 -1.816 4.373 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.924 -1.193 2.763 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.668 -3.744 1.923 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.511 -2.967 0.840 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.689 -4.687 1.262 1.00 0.00 H new ATOM 220 N ASN A 18 4.874 -4.846 0.008 1.00 0.00 N ATOM 221 CA ASN A 18 6.151 -4.729 -0.676 1.00 0.00 C ATOM 222 C ASN A 18 6.202 -3.399 -1.429 1.00 0.00 C ATOM 223 O ASN A 18 5.621 -3.267 -2.505 1.00 0.00 O ATOM 224 CB ASN A 18 6.334 -5.856 -1.695 1.00 0.00 C ATOM 225 CG ASN A 18 6.153 -7.225 -1.036 1.00 0.00 C ATOM 226 OD1 ASN A 18 6.773 -7.550 -0.037 1.00 0.00 O ATOM 227 ND2 ASN A 18 5.271 -8.008 -1.651 1.00 0.00 N ATOM 0 H ASN A 18 4.160 -5.362 -0.506 1.00 0.00 H new ATOM 0 HA ASN A 18 6.941 -4.786 0.073 1.00 0.00 H new ATOM 0 HB2 ASN A 18 5.613 -5.740 -2.505 1.00 0.00 H new ATOM 0 HB3 ASN A 18 7.327 -5.791 -2.140 1.00 0.00 H new ATOM 0 HD21 ASN A 18 5.079 -8.942 -1.290 1.00 0.00 H new ATOM 0 HD22 ASN A 18 4.786 -7.674 -2.484 1.00 0.00 H new ATOM 234 N VAL A 19 6.902 -2.444 -0.833 1.00 0.00 N ATOM 235 CA VAL A 19 7.036 -1.128 -1.434 1.00 0.00 C ATOM 236 C VAL A 19 8.342 -1.065 -2.228 1.00 0.00 C ATOM 237 O VAL A 19 9.427 -1.152 -1.653 1.00 0.00 O ATOM 238 CB VAL A 19 6.940 -0.048 -0.355 1.00 0.00 C ATOM 239 CG1 VAL A 19 7.175 1.342 -0.948 1.00 0.00 C ATOM 240 CG2 VAL A 19 5.593 -0.114 0.369 1.00 0.00 C ATOM 0 H VAL A 19 7.382 -2.556 0.060 1.00 0.00 H new ATOM 0 HA VAL A 19 6.221 -0.943 -2.134 1.00 0.00 H new ATOM 0 HB VAL A 19 7.724 -0.237 0.378 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.101 2.091 -0.160 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.168 1.383 -1.396 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.424 1.544 -1.712 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.551 0.664 1.131 1.00 0.00 H new ATOM 0 HG22 VAL A 19 4.786 0.037 -0.349 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.481 -1.090 0.841 1.00 0.00 H new ATOM 250 N THR A 20 8.196 -0.915 -3.536 1.00 0.00 N ATOM 251 CA THR A 20 9.351 -0.840 -4.414 1.00 0.00 C ATOM 252 C THR A 20 9.514 0.580 -4.961 1.00 0.00 C ATOM 253 O THR A 20 8.858 0.954 -5.932 1.00 0.00 O ATOM 254 CB THR A 20 9.183 -1.897 -5.508 1.00 0.00 C ATOM 255 OG1 THR A 20 9.706 -3.087 -4.924 1.00 0.00 O ATOM 256 CG2 THR A 20 10.092 -1.643 -6.712 1.00 0.00 C ATOM 0 H THR A 20 7.295 -0.843 -4.009 1.00 0.00 H new ATOM 0 HA THR A 20 10.273 -1.054 -3.874 1.00 0.00 H new ATOM 0 HB THR A 20 8.144 -1.918 -5.836 1.00 0.00 H new ATOM 0 HG1 THR A 20 9.635 -3.825 -5.565 1.00 0.00 H new ATOM 0 HG21 THR A 20 9.933 -2.421 -7.458 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.858 -0.671 -7.146 1.00 0.00 H new ATOM 0 HG23 THR A 20 11.133 -1.656 -6.391 1.00 0.00 H new ATOM 264 N PHE A 21 10.391 1.332 -4.314 1.00 0.00 N ATOM 265 CA PHE A 21 10.648 2.702 -4.723 1.00 0.00 C ATOM 266 C PHE A 21 11.850 2.776 -5.667 1.00 0.00 C ATOM 267 O PHE A 21 12.995 2.671 -5.230 1.00 0.00 O ATOM 268 CB PHE A 21 10.963 3.497 -3.453 1.00 0.00 C ATOM 269 CG PHE A 21 11.329 4.960 -3.710 1.00 0.00 C ATOM 270 CD1 PHE A 21 10.708 5.653 -4.702 1.00 0.00 C ATOM 271 CD2 PHE A 21 12.276 5.568 -2.945 1.00 0.00 C ATOM 272 CE1 PHE A 21 11.048 7.011 -4.940 1.00 0.00 C ATOM 273 CE2 PHE A 21 12.616 6.926 -3.183 1.00 0.00 C ATOM 274 CZ PHE A 21 11.995 7.618 -4.175 1.00 0.00 C ATOM 0 H PHE A 21 10.933 1.019 -3.509 1.00 0.00 H new ATOM 0 HA PHE A 21 9.781 3.102 -5.249 1.00 0.00 H new ATOM 0 HB2 PHE A 21 10.099 3.460 -2.790 1.00 0.00 H new ATOM 0 HB3 PHE A 21 11.787 3.013 -2.929 1.00 0.00 H new ATOM 0 HD1 PHE A 21 9.956 5.170 -5.309 1.00 0.00 H new ATOM 0 HD2 PHE A 21 12.769 5.018 -2.157 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.555 7.561 -5.728 1.00 0.00 H new ATOM 0 HE2 PHE A 21 13.368 7.409 -2.576 1.00 0.00 H new ATOM 0 HZ PHE A 21 12.254 8.651 -4.356 1.00 0.00 H new ATOM 284 N LYS A 22 11.547 2.957 -6.944 1.00 0.00 N ATOM 285 CA LYS A 22 12.588 3.047 -7.954 1.00 0.00 C ATOM 286 C LYS A 22 13.340 1.716 -8.025 1.00 0.00 C ATOM 287 O LYS A 22 12.946 0.815 -8.764 1.00 0.00 O ATOM 288 CB LYS A 22 13.494 4.251 -7.686 1.00 0.00 C ATOM 289 CG LYS A 22 12.904 5.526 -8.292 1.00 0.00 C ATOM 290 CD LYS A 22 13.768 6.743 -7.956 1.00 0.00 C ATOM 291 CE LYS A 22 13.362 7.350 -6.612 1.00 0.00 C ATOM 292 NZ LYS A 22 14.365 8.343 -6.167 1.00 0.00 N ATOM 0 H LYS A 22 10.596 3.044 -7.302 1.00 0.00 H new ATOM 0 HA LYS A 22 12.150 3.220 -8.937 1.00 0.00 H new ATOM 0 HB2 LYS A 22 13.624 4.381 -6.612 1.00 0.00 H new ATOM 0 HB3 LYS A 22 14.483 4.068 -8.107 1.00 0.00 H new ATOM 0 HG2 LYS A 22 12.828 5.417 -9.374 1.00 0.00 H new ATOM 0 HG3 LYS A 22 11.893 5.678 -7.915 1.00 0.00 H new ATOM 0 HD2 LYS A 22 14.818 6.451 -7.925 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.669 7.492 -8.742 1.00 0.00 H new ATOM 0 HE2 LYS A 22 12.385 7.826 -6.702 1.00 0.00 H new ATOM 0 HE3 LYS A 22 13.265 6.562 -5.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 14.198 8.582 -5.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 15.319 7.944 -6.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 14.283 9.203 -6.747 1.00 0.00 H new ATOM 306 N ASN A 23 14.409 1.635 -7.247 1.00 0.00 N ATOM 307 CA ASN A 23 15.220 0.429 -7.212 1.00 0.00 C ATOM 308 C ASN A 23 15.281 -0.097 -5.777 1.00 0.00 C ATOM 309 O ASN A 23 15.900 -1.128 -5.516 1.00 0.00 O ATOM 310 CB ASN A 23 16.650 0.714 -7.673 1.00 0.00 C ATOM 311 CG ASN A 23 17.552 -0.500 -7.443 1.00 0.00 C ATOM 312 OD1 ASN A 23 18.199 -0.641 -6.418 1.00 0.00 O ATOM 313 ND2 ASN A 23 17.560 -1.367 -8.451 1.00 0.00 N ATOM 0 H ASN A 23 14.733 2.385 -6.636 1.00 0.00 H new ATOM 0 HA ASN A 23 14.766 -0.303 -7.879 1.00 0.00 H new ATOM 0 HB2 ASN A 23 16.649 0.976 -8.731 1.00 0.00 H new ATOM 0 HB3 ASN A 23 17.046 1.573 -7.132 1.00 0.00 H new ATOM 0 HD21 ASN A 23 18.131 -2.210 -8.394 1.00 0.00 H new ATOM 0 HD22 ASN A 23 16.995 -1.189 -9.281 1.00 0.00 H new ATOM 320 N GLU A 24 14.632 0.635 -4.883 1.00 0.00 N ATOM 321 CA GLU A 24 14.605 0.254 -3.481 1.00 0.00 C ATOM 322 C GLU A 24 13.352 -0.570 -3.179 1.00 0.00 C ATOM 323 O GLU A 24 12.253 -0.213 -3.601 1.00 0.00 O ATOM 324 CB GLU A 24 14.682 1.486 -2.577 1.00 0.00 C ATOM 325 CG GLU A 24 16.122 1.992 -2.462 1.00 0.00 C ATOM 326 CD GLU A 24 16.553 2.714 -3.741 1.00 0.00 C ATOM 327 OE1 GLU A 24 16.191 3.904 -3.870 1.00 0.00 O ATOM 328 OE2 GLU A 24 17.234 2.060 -4.560 1.00 0.00 O ATOM 0 H GLU A 24 14.121 1.490 -5.103 1.00 0.00 H new ATOM 0 HA GLU A 24 15.480 -0.363 -3.275 1.00 0.00 H new ATOM 0 HB2 GLU A 24 14.046 2.276 -2.977 1.00 0.00 H new ATOM 0 HB3 GLU A 24 14.299 1.240 -1.587 1.00 0.00 H new ATOM 0 HG2 GLU A 24 16.207 2.669 -1.612 1.00 0.00 H new ATOM 0 HG3 GLU A 24 16.792 1.154 -2.270 1.00 0.00 H new ATOM 335 N ILE A 25 13.559 -1.656 -2.449 1.00 0.00 N ATOM 336 CA ILE A 25 12.459 -2.534 -2.085 1.00 0.00 C ATOM 337 C ILE A 25 12.270 -2.505 -0.567 1.00 0.00 C ATOM 338 O ILE A 25 13.242 -2.570 0.184 1.00 0.00 O ATOM 339 CB ILE A 25 12.685 -3.938 -2.650 1.00 0.00 C ATOM 340 CG1 ILE A 25 12.706 -3.917 -4.180 1.00 0.00 C ATOM 341 CG2 ILE A 25 11.648 -4.922 -2.104 1.00 0.00 C ATOM 342 CD1 ILE A 25 13.515 -5.092 -4.733 1.00 0.00 C ATOM 0 H ILE A 25 14.472 -1.948 -2.100 1.00 0.00 H new ATOM 0 HA ILE A 25 11.528 -2.183 -2.529 1.00 0.00 H new ATOM 0 HB ILE A 25 13.664 -4.286 -2.320 1.00 0.00 H new ATOM 0 HG12 ILE A 25 11.686 -3.961 -4.562 1.00 0.00 H new ATOM 0 HG13 ILE A 25 13.137 -2.978 -4.529 1.00 0.00 H new ATOM 0 HG21 ILE A 25 11.831 -5.912 -2.521 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.725 -4.966 -1.018 1.00 0.00 H new ATOM 0 HG23 ILE A 25 10.648 -4.590 -2.384 1.00 0.00 H new ATOM 0 HD11 ILE A 25 13.514 -5.054 -5.822 1.00 0.00 H new ATOM 0 HD12 ILE A 25 14.540 -5.031 -4.369 1.00 0.00 H new ATOM 0 HD13 ILE A 25 13.068 -6.029 -4.403 1.00 0.00 H new ATOM 354 N GLN A 26 11.013 -2.406 -0.162 1.00 0.00 N ATOM 355 CA GLN A 26 10.684 -2.368 1.253 1.00 0.00 C ATOM 356 C GLN A 26 9.499 -3.289 1.548 1.00 0.00 C ATOM 357 O GLN A 26 8.768 -3.677 0.638 1.00 0.00 O ATOM 358 CB GLN A 26 10.392 -0.937 1.709 1.00 0.00 C ATOM 359 CG GLN A 26 10.976 -0.674 3.099 1.00 0.00 C ATOM 360 CD GLN A 26 12.486 -0.435 3.023 1.00 0.00 C ATOM 361 OE1 GLN A 26 13.179 -0.946 2.158 1.00 0.00 O ATOM 362 NE2 GLN A 26 12.955 0.368 3.974 1.00 0.00 N ATOM 0 H GLN A 26 10.210 -2.351 -0.788 1.00 0.00 H new ATOM 0 HA GLN A 26 11.546 -2.726 1.816 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.814 -0.231 0.994 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.315 -0.769 1.725 1.00 0.00 H new ATOM 0 HG2 GLN A 26 10.489 0.194 3.544 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.771 -1.524 3.750 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.320 0.762 4.668 1.00 0.00 H new ATOM 0 HE22 GLN A 26 13.950 0.590 4.010 1.00 0.00 H new ATOM 371 N SER A 27 9.345 -3.613 2.823 1.00 0.00 N ATOM 372 CA SER A 27 8.261 -4.482 3.250 1.00 0.00 C ATOM 373 C SER A 27 7.711 -4.010 4.597 1.00 0.00 C ATOM 374 O SER A 27 8.474 -3.751 5.526 1.00 0.00 O ATOM 375 CB SER A 27 8.726 -5.936 3.346 1.00 0.00 C ATOM 376 OG SER A 27 7.907 -6.702 4.226 1.00 0.00 O ATOM 0 H SER A 27 9.953 -3.289 3.575 1.00 0.00 H new ATOM 0 HA SER A 27 7.468 -4.431 2.504 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.713 -6.387 2.354 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.758 -5.964 3.695 1.00 0.00 H new ATOM 0 HG SER A 27 8.236 -7.625 4.259 1.00 0.00 H new ATOM 382 N PHE A 28 6.391 -3.913 4.660 1.00 0.00 N ATOM 383 CA PHE A 28 5.730 -3.477 5.878 1.00 0.00 C ATOM 384 C PHE A 28 4.556 -4.395 6.224 1.00 0.00 C ATOM 385 O PHE A 28 3.564 -4.440 5.498 1.00 0.00 O ATOM 386 CB PHE A 28 5.199 -2.066 5.618 1.00 0.00 C ATOM 387 CG PHE A 28 6.269 -1.072 5.163 1.00 0.00 C ATOM 388 CD1 PHE A 28 7.027 -0.419 6.084 1.00 0.00 C ATOM 389 CD2 PHE A 28 6.463 -0.841 3.837 1.00 0.00 C ATOM 390 CE1 PHE A 28 8.020 0.504 5.662 1.00 0.00 C ATOM 391 CE2 PHE A 28 7.457 0.081 3.414 1.00 0.00 C ATOM 392 CZ PHE A 28 8.214 0.734 4.336 1.00 0.00 C ATOM 0 H PHE A 28 5.762 -4.129 3.887 1.00 0.00 H new ATOM 0 HA PHE A 28 6.432 -3.501 6.711 1.00 0.00 H new ATOM 0 HB2 PHE A 28 4.419 -2.117 4.859 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.733 -1.691 6.529 1.00 0.00 H new ATOM 0 HD1 PHE A 28 6.874 -0.603 7.137 1.00 0.00 H new ATOM 0 HD2 PHE A 28 5.861 -1.359 3.105 1.00 0.00 H new ATOM 0 HE1 PHE A 28 8.621 1.023 6.394 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.612 0.263 2.361 1.00 0.00 H new ATOM 0 HZ PHE A 28 8.970 1.436 4.015 1.00 0.00 H new ATOM 402 N LEU A 29 4.708 -5.105 7.333 1.00 0.00 N ATOM 403 CA LEU A 29 3.673 -6.019 7.784 1.00 0.00 C ATOM 404 C LEU A 29 2.545 -5.222 8.441 1.00 0.00 C ATOM 405 O LEU A 29 2.798 -4.350 9.271 1.00 0.00 O ATOM 406 CB LEU A 29 4.270 -7.100 8.687 1.00 0.00 C ATOM 407 CG LEU A 29 3.417 -8.355 8.884 1.00 0.00 C ATOM 408 CD1 LEU A 29 3.551 -9.302 7.690 1.00 0.00 C ATOM 409 CD2 LEU A 29 3.758 -9.048 10.205 1.00 0.00 C ATOM 0 H LEU A 29 5.533 -5.065 7.932 1.00 0.00 H new ATOM 0 HA LEU A 29 3.237 -6.549 6.937 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.233 -7.400 8.273 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.466 -6.661 9.665 1.00 0.00 H new ATOM 0 HG LEU A 29 2.371 -8.052 8.939 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.935 -10.186 7.856 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.221 -8.794 6.784 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.593 -9.602 7.579 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.138 -9.937 10.320 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.809 -9.337 10.204 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.571 -8.365 11.033 1.00 0.00 H new ATOM 421 N VAL A 30 1.324 -5.549 8.046 1.00 0.00 N ATOM 422 CA VAL A 30 0.156 -4.875 8.586 1.00 0.00 C ATOM 423 C VAL A 30 -0.781 -5.909 9.213 1.00 0.00 C ATOM 424 O VAL A 30 -1.563 -6.549 8.511 1.00 0.00 O ATOM 425 CB VAL A 30 -0.518 -4.040 7.495 1.00 0.00 C ATOM 426 CG1 VAL A 30 -1.381 -2.934 8.106 1.00 0.00 C ATOM 427 CG2 VAL A 30 0.518 -3.458 6.531 1.00 0.00 C ATOM 0 H VAL A 30 1.118 -6.273 7.357 1.00 0.00 H new ATOM 0 HA VAL A 30 0.447 -4.181 9.374 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.172 -4.699 6.925 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.849 -2.355 7.309 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.154 -3.380 8.732 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.756 -2.278 8.712 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.012 -2.869 5.766 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.210 -2.820 7.082 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.071 -4.269 6.058 1.00 0.00 H new ATOM 437 N SER A 31 -0.673 -6.041 10.527 1.00 0.00 N ATOM 438 CA SER A 31 -1.501 -6.987 11.255 1.00 0.00 C ATOM 439 C SER A 31 -2.940 -6.473 11.330 1.00 0.00 C ATOM 440 O SER A 31 -3.847 -7.210 11.713 1.00 0.00 O ATOM 441 CB SER A 31 -0.951 -7.231 12.662 1.00 0.00 C ATOM 442 OG SER A 31 -1.733 -8.178 13.384 1.00 0.00 O ATOM 0 H SER A 31 -0.024 -5.508 11.106 1.00 0.00 H new ATOM 0 HA SER A 31 -1.488 -7.936 10.719 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.077 -7.587 12.593 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.926 -6.289 13.210 1.00 0.00 H new ATOM 0 HG SER A 31 -1.948 -8.936 12.802 1.00 0.00 H new ATOM 448 N ASP A 32 -3.104 -5.212 10.957 1.00 0.00 N ATOM 449 CA ASP A 32 -4.418 -4.591 10.977 1.00 0.00 C ATOM 450 C ASP A 32 -4.603 -3.758 9.708 1.00 0.00 C ATOM 451 O ASP A 32 -4.684 -2.532 9.772 1.00 0.00 O ATOM 452 CB ASP A 32 -4.568 -3.659 12.181 1.00 0.00 C ATOM 453 CG ASP A 32 -3.474 -2.598 12.318 1.00 0.00 C ATOM 454 OD1 ASP A 32 -2.738 -2.411 11.325 1.00 0.00 O ATOM 455 OD2 ASP A 32 -3.399 -1.999 13.412 1.00 0.00 O ATOM 0 H ASP A 32 -2.349 -4.604 10.639 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.164 -5.383 11.039 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -5.533 -3.157 12.115 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -4.584 -4.262 13.089 1.00 0.00 H new ATOM 460 N PRO A 33 -4.666 -4.475 8.554 1.00 0.00 N ATOM 461 CA PRO A 33 -4.839 -3.814 7.271 1.00 0.00 C ATOM 462 C PRO A 33 -6.281 -3.335 7.092 1.00 0.00 C ATOM 463 O PRO A 33 -6.559 -2.499 6.233 1.00 0.00 O ATOM 464 CB PRO A 33 -4.425 -4.848 6.237 1.00 0.00 C ATOM 465 CG PRO A 33 -4.479 -6.192 6.946 1.00 0.00 C ATOM 466 CD PRO A 33 -4.573 -5.927 8.440 1.00 0.00 C ATOM 0 HA PRO A 33 -4.234 -2.912 7.177 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -5.096 -4.832 5.378 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -3.422 -4.645 5.861 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -5.339 -6.769 6.606 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -3.590 -6.780 6.718 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.445 -6.415 8.875 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -3.699 -6.310 8.966 1.00 0.00 H new ATOM 474 N GLU A 34 -7.160 -3.884 7.917 1.00 0.00 N ATOM 475 CA GLU A 34 -8.567 -3.523 7.860 1.00 0.00 C ATOM 476 C GLU A 34 -8.891 -2.485 8.936 1.00 0.00 C ATOM 477 O GLU A 34 -9.848 -1.723 8.800 1.00 0.00 O ATOM 478 CB GLU A 34 -9.457 -4.759 8.005 1.00 0.00 C ATOM 479 CG GLU A 34 -9.636 -5.466 6.660 1.00 0.00 C ATOM 480 CD GLU A 34 -11.091 -5.891 6.454 1.00 0.00 C ATOM 481 OE1 GLU A 34 -11.732 -6.233 7.471 1.00 0.00 O ATOM 482 OE2 GLU A 34 -11.530 -5.863 5.283 1.00 0.00 O ATOM 0 H GLU A 34 -6.926 -4.576 8.629 1.00 0.00 H new ATOM 0 HA GLU A 34 -8.770 -3.083 6.884 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.015 -5.447 8.726 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.430 -4.467 8.399 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.330 -4.802 5.852 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -8.988 -6.341 6.616 1.00 0.00 H new ATOM 489 N ASN A 35 -8.077 -2.488 9.981 1.00 0.00 N ATOM 490 CA ASN A 35 -8.266 -1.556 11.080 1.00 0.00 C ATOM 491 C ASN A 35 -7.531 -0.250 10.767 1.00 0.00 C ATOM 492 O ASN A 35 -8.106 0.832 10.879 1.00 0.00 O ATOM 493 CB ASN A 35 -7.697 -2.118 12.384 1.00 0.00 C ATOM 494 CG ASN A 35 -8.661 -1.885 13.549 1.00 0.00 C ATOM 495 OD1 ASN A 35 -8.697 -0.827 14.156 1.00 0.00 O ATOM 496 ND2 ASN A 35 -9.437 -2.929 13.826 1.00 0.00 N ATOM 0 H ASN A 35 -7.285 -3.121 10.090 1.00 0.00 H new ATOM 0 HA ASN A 35 -9.336 -1.386 11.198 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -7.508 -3.186 12.272 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.739 -1.645 12.600 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -10.114 -2.873 14.587 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -9.355 -3.785 13.278 1.00 0.00 H new ATOM 503 N THR A 36 -6.272 -0.395 10.382 1.00 0.00 N ATOM 504 CA THR A 36 -5.453 0.759 10.053 1.00 0.00 C ATOM 505 C THR A 36 -6.038 1.502 8.850 1.00 0.00 C ATOM 506 O THR A 36 -6.866 0.958 8.122 1.00 0.00 O ATOM 507 CB THR A 36 -4.020 0.272 9.828 1.00 0.00 C ATOM 508 OG1 THR A 36 -3.213 1.389 10.193 1.00 0.00 O ATOM 509 CG2 THR A 36 -3.702 0.051 8.348 1.00 0.00 C ATOM 0 H THR A 36 -5.799 -1.294 10.290 1.00 0.00 H new ATOM 0 HA THR A 36 -5.442 1.482 10.868 1.00 0.00 H new ATOM 0 HB THR A 36 -3.862 -0.657 10.376 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.267 1.160 10.079 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.673 -0.294 8.244 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.379 -0.699 7.938 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.827 0.988 7.805 1.00 0.00 H new ATOM 517 N THR A 37 -5.583 2.735 8.679 1.00 0.00 N ATOM 518 CA THR A 37 -6.051 3.559 7.577 1.00 0.00 C ATOM 519 C THR A 37 -4.942 3.742 6.540 1.00 0.00 C ATOM 520 O THR A 37 -3.763 3.576 6.850 1.00 0.00 O ATOM 521 CB THR A 37 -6.563 4.878 8.158 1.00 0.00 C ATOM 522 OG1 THR A 37 -5.567 5.250 9.106 1.00 0.00 O ATOM 523 CG2 THR A 37 -7.828 4.696 8.999 1.00 0.00 C ATOM 0 H THR A 37 -4.896 3.183 9.285 1.00 0.00 H new ATOM 0 HA THR A 37 -6.873 3.080 7.046 1.00 0.00 H new ATOM 0 HB THR A 37 -6.764 5.577 7.347 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.819 6.097 9.530 1.00 0.00 H new ATOM 0 HG21 THR A 37 -8.149 5.663 9.387 1.00 0.00 H new ATOM 0 HG22 THR A 37 -8.619 4.273 8.380 1.00 0.00 H new ATOM 0 HG23 THR A 37 -7.619 4.022 9.830 1.00 0.00 H new ATOM 531 N TRP A 38 -5.359 4.081 5.328 1.00 0.00 N ATOM 532 CA TRP A 38 -4.415 4.288 4.243 1.00 0.00 C ATOM 533 C TRP A 38 -3.556 5.506 4.589 1.00 0.00 C ATOM 534 O TRP A 38 -2.373 5.550 4.257 1.00 0.00 O ATOM 535 CB TRP A 38 -5.142 4.430 2.904 1.00 0.00 C ATOM 536 CG TRP A 38 -4.255 4.935 1.765 1.00 0.00 C ATOM 537 CD1 TRP A 38 -4.411 6.042 1.026 1.00 0.00 C ATOM 538 CD2 TRP A 38 -3.059 4.303 1.261 1.00 0.00 C ATOM 539 NE1 TRP A 38 -3.408 6.169 0.087 1.00 0.00 N ATOM 540 CE2 TRP A 38 -2.560 5.078 0.234 1.00 0.00 C ATOM 541 CE3 TRP A 38 -2.421 3.115 1.659 1.00 0.00 C ATOM 542 CZ2 TRP A 38 -1.400 4.751 -0.479 1.00 0.00 C ATOM 543 CZ3 TRP A 38 -1.264 2.802 0.936 1.00 0.00 C ATOM 544 CH2 TRP A 38 -0.748 3.572 -0.100 1.00 0.00 C ATOM 0 H TRP A 38 -6.337 4.217 5.074 1.00 0.00 H new ATOM 0 HA TRP A 38 -3.762 3.423 4.130 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -5.559 3.463 2.624 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -5.981 5.115 3.029 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -5.220 6.746 1.150 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -3.307 6.925 -0.591 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -2.794 2.493 2.459 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -1.028 5.375 -1.278 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -0.735 1.899 1.202 1.00 0.00 H new ATOM 0 HH2 TRP A 38 0.152 3.262 -0.610 1.00 0.00 H new ATOM 555 N ALA A 39 -4.186 6.465 5.252 1.00 0.00 N ATOM 556 CA ALA A 39 -3.494 7.680 5.646 1.00 0.00 C ATOM 557 C ALA A 39 -2.296 7.317 6.527 1.00 0.00 C ATOM 558 O ALA A 39 -1.308 8.048 6.568 1.00 0.00 O ATOM 559 CB ALA A 39 -4.474 8.619 6.353 1.00 0.00 C ATOM 0 H ALA A 39 -5.168 6.425 5.526 1.00 0.00 H new ATOM 0 HA ALA A 39 -3.112 8.205 4.771 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.955 9.531 6.649 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.291 8.870 5.676 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.875 8.126 7.239 1.00 0.00 H new ATOM 565 N ASP A 40 -2.425 6.189 7.209 1.00 0.00 N ATOM 566 CA ASP A 40 -1.365 5.720 8.086 1.00 0.00 C ATOM 567 C ASP A 40 -0.286 5.028 7.250 1.00 0.00 C ATOM 568 O ASP A 40 0.905 5.208 7.497 1.00 0.00 O ATOM 569 CB ASP A 40 -1.898 4.708 9.102 1.00 0.00 C ATOM 570 CG ASP A 40 -2.258 5.293 10.469 1.00 0.00 C ATOM 571 OD1 ASP A 40 -1.380 5.972 11.045 1.00 0.00 O ATOM 572 OD2 ASP A 40 -3.403 5.048 10.908 1.00 0.00 O ATOM 0 H ASP A 40 -3.247 5.586 7.172 1.00 0.00 H new ATOM 0 HA ASP A 40 -0.959 6.582 8.615 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -2.783 4.228 8.684 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.149 3.928 9.243 1.00 0.00 H new ATOM 577 N ILE A 41 -0.743 4.251 6.279 1.00 0.00 N ATOM 578 CA ILE A 41 0.168 3.531 5.406 1.00 0.00 C ATOM 579 C ILE A 41 0.961 4.533 4.565 1.00 0.00 C ATOM 580 O ILE A 41 2.178 4.643 4.706 1.00 0.00 O ATOM 581 CB ILE A 41 -0.592 2.496 4.575 1.00 0.00 C ATOM 582 CG1 ILE A 41 -1.438 1.588 5.470 1.00 0.00 C ATOM 583 CG2 ILE A 41 0.363 1.696 3.687 1.00 0.00 C ATOM 584 CD1 ILE A 41 -0.564 0.558 6.188 1.00 0.00 C ATOM 0 H ILE A 41 -1.732 4.104 6.078 1.00 0.00 H new ATOM 0 HA ILE A 41 0.891 2.965 5.994 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.278 3.026 3.914 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.973 2.191 6.204 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.190 1.077 4.869 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.204 0.967 3.107 1.00 0.00 H new ATOM 0 HG22 ILE A 41 0.883 2.373 3.010 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.091 1.177 4.311 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.190 -0.075 6.817 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.049 -0.059 5.452 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.171 1.073 6.807 1.00 0.00 H new ATOM 596 N GLU A 42 0.238 5.239 3.708 1.00 0.00 N ATOM 597 CA GLU A 42 0.859 6.229 2.843 1.00 0.00 C ATOM 598 C GLU A 42 1.964 6.972 3.596 1.00 0.00 C ATOM 599 O GLU A 42 3.131 6.912 3.211 1.00 0.00 O ATOM 600 CB GLU A 42 -0.182 7.206 2.293 1.00 0.00 C ATOM 601 CG GLU A 42 0.458 8.199 1.321 1.00 0.00 C ATOM 602 CD GLU A 42 -0.529 8.610 0.227 1.00 0.00 C ATOM 603 OE1 GLU A 42 -1.611 9.112 0.599 1.00 0.00 O ATOM 604 OE2 GLU A 42 -0.179 8.412 -0.957 1.00 0.00 O ATOM 0 H GLU A 42 -0.771 5.146 3.594 1.00 0.00 H new ATOM 0 HA GLU A 42 1.308 5.712 1.995 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.973 6.653 1.786 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.649 7.747 3.116 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.791 9.083 1.865 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.342 7.751 0.868 1.00 0.00 H new ATOM 611 N ALA A 43 1.558 7.656 4.656 1.00 0.00 N ATOM 612 CA ALA A 43 2.500 8.411 5.466 1.00 0.00 C ATOM 613 C ALA A 43 3.690 7.517 5.821 1.00 0.00 C ATOM 614 O ALA A 43 4.841 7.928 5.686 1.00 0.00 O ATOM 615 CB ALA A 43 1.786 8.952 6.706 1.00 0.00 C ATOM 0 H ALA A 43 0.590 7.703 4.973 1.00 0.00 H new ATOM 0 HA ALA A 43 2.885 9.267 4.912 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.492 9.518 7.314 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.967 9.603 6.399 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.390 8.121 7.289 1.00 0.00 H new ATOM 621 N MET A 44 3.371 6.311 6.268 1.00 0.00 N ATOM 622 CA MET A 44 4.400 5.357 6.644 1.00 0.00 C ATOM 623 C MET A 44 5.438 5.203 5.531 1.00 0.00 C ATOM 624 O MET A 44 6.627 5.431 5.750 1.00 0.00 O ATOM 625 CB MET A 44 3.756 3.999 6.932 1.00 0.00 C ATOM 626 CG MET A 44 4.685 3.119 7.771 1.00 0.00 C ATOM 627 SD MET A 44 3.738 1.863 8.616 1.00 0.00 S ATOM 628 CE MET A 44 2.981 1.053 7.218 1.00 0.00 C ATOM 0 H MET A 44 2.415 5.973 6.378 1.00 0.00 H new ATOM 0 HA MET A 44 4.904 5.728 7.537 1.00 0.00 H new ATOM 0 HB2 MET A 44 2.813 4.144 7.459 1.00 0.00 H new ATOM 0 HB3 MET A 44 3.523 3.497 5.993 1.00 0.00 H new ATOM 0 HG2 MET A 44 5.434 2.652 7.131 1.00 0.00 H new ATOM 0 HG3 MET A 44 5.222 3.731 8.496 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.393 0.203 7.564 1.00 0.00 H new ATOM 0 HE2 MET A 44 2.331 1.757 6.698 1.00 0.00 H new ATOM 0 HE3 MET A 44 3.756 0.703 6.536 1.00 0.00 H new ATOM 638 N VAL A 45 4.952 4.817 4.360 1.00 0.00 N ATOM 639 CA VAL A 45 5.823 4.631 3.212 1.00 0.00 C ATOM 640 C VAL A 45 6.620 5.914 2.968 1.00 0.00 C ATOM 641 O VAL A 45 7.652 5.889 2.301 1.00 0.00 O ATOM 642 CB VAL A 45 5.001 4.197 1.997 1.00 0.00 C ATOM 643 CG1 VAL A 45 5.878 4.104 0.747 1.00 0.00 C ATOM 644 CG2 VAL A 45 4.284 2.872 2.264 1.00 0.00 C ATOM 0 H VAL A 45 3.966 4.628 4.182 1.00 0.00 H new ATOM 0 HA VAL A 45 6.542 3.834 3.403 1.00 0.00 H new ATOM 0 HB VAL A 45 4.241 4.958 1.818 1.00 0.00 H new ATOM 0 HG11 VAL A 45 5.269 3.794 -0.102 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.320 5.078 0.540 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.670 3.374 0.912 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.707 2.587 1.384 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.020 2.098 2.482 1.00 0.00 H new ATOM 0 HG23 VAL A 45 3.614 2.986 3.116 1.00 0.00 H new ATOM 654 N LYS A 46 6.109 7.004 3.522 1.00 0.00 N ATOM 655 CA LYS A 46 6.761 8.294 3.373 1.00 0.00 C ATOM 656 C LYS A 46 7.722 8.513 4.543 1.00 0.00 C ATOM 657 O LYS A 46 8.817 9.043 4.360 1.00 0.00 O ATOM 658 CB LYS A 46 5.720 9.404 3.216 1.00 0.00 C ATOM 659 CG LYS A 46 4.808 9.136 2.017 1.00 0.00 C ATOM 660 CD LYS A 46 3.556 10.014 2.073 1.00 0.00 C ATOM 661 CE LYS A 46 3.928 11.498 2.078 1.00 0.00 C ATOM 662 NZ LYS A 46 3.783 12.074 0.723 1.00 0.00 N ATOM 0 H LYS A 46 5.252 7.020 4.074 1.00 0.00 H new ATOM 0 HA LYS A 46 7.358 8.317 2.461 1.00 0.00 H new ATOM 0 HB2 LYS A 46 5.121 9.477 4.124 1.00 0.00 H new ATOM 0 HB3 LYS A 46 6.222 10.363 3.088 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.351 9.330 1.092 1.00 0.00 H new ATOM 0 HG3 LYS A 46 4.519 8.085 2.003 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.917 9.798 1.216 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.980 9.776 2.968 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.290 12.036 2.778 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.955 11.620 2.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 3.856 13.110 0.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 4.535 11.705 0.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 2.855 11.812 0.332 1.00 0.00 H new ATOM 676 N VAL A 47 7.278 8.094 5.719 1.00 0.00 N ATOM 677 CA VAL A 47 8.086 8.238 6.918 1.00 0.00 C ATOM 678 C VAL A 47 9.124 7.116 6.967 1.00 0.00 C ATOM 679 O VAL A 47 10.027 7.135 7.802 1.00 0.00 O ATOM 680 CB VAL A 47 7.185 8.274 8.155 1.00 0.00 C ATOM 681 CG1 VAL A 47 7.902 7.686 9.372 1.00 0.00 C ATOM 682 CG2 VAL A 47 6.699 9.696 8.438 1.00 0.00 C ATOM 0 H VAL A 47 6.369 7.655 5.867 1.00 0.00 H new ATOM 0 HA VAL A 47 8.630 9.182 6.901 1.00 0.00 H new ATOM 0 HB VAL A 47 6.310 7.656 7.951 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.240 7.723 10.237 1.00 0.00 H new ATOM 0 HG12 VAL A 47 8.175 6.651 9.168 1.00 0.00 H new ATOM 0 HG13 VAL A 47 8.802 8.265 9.579 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.061 9.693 9.322 1.00 0.00 H new ATOM 0 HG22 VAL A 47 7.557 10.346 8.612 1.00 0.00 H new ATOM 0 HG23 VAL A 47 6.132 10.064 7.583 1.00 0.00 H new ATOM 692 N SER A 48 8.961 6.163 6.060 1.00 0.00 N ATOM 693 CA SER A 48 9.873 5.034 5.989 1.00 0.00 C ATOM 694 C SER A 48 11.007 5.338 5.008 1.00 0.00 C ATOM 695 O SER A 48 12.126 4.858 5.180 1.00 0.00 O ATOM 696 CB SER A 48 9.138 3.758 5.573 1.00 0.00 C ATOM 697 OG SER A 48 9.970 2.606 5.674 1.00 0.00 O ATOM 0 H SER A 48 8.211 6.150 5.369 1.00 0.00 H new ATOM 0 HA SER A 48 10.294 4.871 6.981 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.257 3.626 6.202 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.785 3.861 4.547 1.00 0.00 H new ATOM 0 HG SER A 48 9.487 1.823 5.337 1.00 0.00 H new ATOM 703 N PHE A 49 10.677 6.133 4.001 1.00 0.00 N ATOM 704 CA PHE A 49 11.654 6.506 2.992 1.00 0.00 C ATOM 705 C PHE A 49 12.090 7.963 3.164 1.00 0.00 C ATOM 706 O PHE A 49 13.011 8.423 2.490 1.00 0.00 O ATOM 707 CB PHE A 49 10.975 6.347 1.630 1.00 0.00 C ATOM 708 CG PHE A 49 10.990 4.916 1.091 1.00 0.00 C ATOM 709 CD1 PHE A 49 10.065 4.017 1.523 1.00 0.00 C ATOM 710 CD2 PHE A 49 11.928 4.542 0.180 1.00 0.00 C ATOM 711 CE1 PHE A 49 10.079 2.688 1.022 1.00 0.00 C ATOM 712 CE2 PHE A 49 11.941 3.213 -0.321 1.00 0.00 C ATOM 713 CZ PHE A 49 11.017 2.314 0.111 1.00 0.00 C ATOM 0 H PHE A 49 9.747 6.529 3.862 1.00 0.00 H new ATOM 0 HA PHE A 49 12.539 5.876 3.081 1.00 0.00 H new ATOM 0 HB2 PHE A 49 9.941 6.684 1.709 1.00 0.00 H new ATOM 0 HB3 PHE A 49 11.469 7.000 0.911 1.00 0.00 H new ATOM 0 HD1 PHE A 49 9.320 4.314 2.247 1.00 0.00 H new ATOM 0 HD2 PHE A 49 12.663 5.255 -0.162 1.00 0.00 H new ATOM 0 HE1 PHE A 49 9.344 1.974 1.365 1.00 0.00 H new ATOM 0 HE2 PHE A 49 12.685 2.916 -1.045 1.00 0.00 H new ATOM 0 HZ PHE A 49 11.028 1.303 -0.269 1.00 0.00 H new ATOM 723 N ASP A 50 11.409 8.648 4.070 1.00 0.00 N ATOM 724 CA ASP A 50 11.714 10.043 4.339 1.00 0.00 C ATOM 725 C ASP A 50 11.346 10.886 3.116 1.00 0.00 C ATOM 726 O ASP A 50 12.138 11.713 2.668 1.00 0.00 O ATOM 727 CB ASP A 50 13.206 10.237 4.616 1.00 0.00 C ATOM 728 CG ASP A 50 13.541 11.361 5.598 1.00 0.00 C ATOM 729 OD1 ASP A 50 13.246 11.174 6.798 1.00 0.00 O ATOM 730 OD2 ASP A 50 14.085 12.383 5.126 1.00 0.00 O ATOM 0 H ASP A 50 10.647 8.263 4.628 1.00 0.00 H new ATOM 0 HA ASP A 50 11.142 10.351 5.214 1.00 0.00 H new ATOM 0 HB2 ASP A 50 13.612 9.303 5.004 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.712 10.437 3.672 1.00 0.00 H new ATOM 735 N LEU A 51 10.145 10.647 2.612 1.00 0.00 N ATOM 736 CA LEU A 51 9.663 11.374 1.450 1.00 0.00 C ATOM 737 C LEU A 51 8.567 12.350 1.883 1.00 0.00 C ATOM 738 O LEU A 51 7.903 12.135 2.896 1.00 0.00 O ATOM 739 CB LEU A 51 9.222 10.401 0.354 1.00 0.00 C ATOM 740 CG LEU A 51 10.281 9.406 -0.124 1.00 0.00 C ATOM 741 CD1 LEU A 51 9.648 8.293 -0.961 1.00 0.00 C ATOM 742 CD2 LEU A 51 11.405 10.120 -0.876 1.00 0.00 C ATOM 0 H LEU A 51 9.491 9.960 2.987 1.00 0.00 H new ATOM 0 HA LEU A 51 10.465 11.968 1.013 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.362 9.839 0.719 1.00 0.00 H new ATOM 0 HB3 LEU A 51 8.883 10.981 -0.504 1.00 0.00 H new ATOM 0 HG LEU A 51 10.728 8.936 0.752 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.422 7.599 -1.289 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.913 7.759 -0.359 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.158 8.727 -1.832 1.00 0.00 H new ATOM 0 HD21 LEU A 51 12.144 9.389 -1.205 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.993 10.635 -1.744 1.00 0.00 H new ATOM 0 HD23 LEU A 51 11.881 10.846 -0.216 1.00 0.00 H new ATOM 754 N ASN A 52 8.411 13.403 1.094 1.00 0.00 N ATOM 755 CA ASN A 52 7.407 14.413 1.383 1.00 0.00 C ATOM 756 C ASN A 52 6.153 14.132 0.551 1.00 0.00 C ATOM 757 O ASN A 52 5.037 14.190 1.065 1.00 0.00 O ATOM 758 CB ASN A 52 7.911 15.811 1.020 1.00 0.00 C ATOM 759 CG ASN A 52 8.433 16.543 2.258 1.00 0.00 C ATOM 760 OD1 ASN A 52 9.492 16.246 2.786 1.00 0.00 O ATOM 761 ND2 ASN A 52 7.633 17.514 2.690 1.00 0.00 N ATOM 0 H ASN A 52 8.963 13.579 0.255 1.00 0.00 H new ATOM 0 HA ASN A 52 7.188 14.375 2.450 1.00 0.00 H new ATOM 0 HB2 ASN A 52 8.705 15.734 0.277 1.00 0.00 H new ATOM 0 HB3 ASN A 52 7.104 16.386 0.566 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.893 18.062 3.510 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.760 17.711 2.201 1.00 0.00 H new ATOM 768 N THR A 53 6.380 13.833 -0.720 1.00 0.00 N ATOM 769 CA THR A 53 5.283 13.544 -1.627 1.00 0.00 C ATOM 770 C THR A 53 5.556 12.251 -2.398 1.00 0.00 C ATOM 771 O THR A 53 6.575 12.132 -3.077 1.00 0.00 O ATOM 772 CB THR A 53 5.084 14.761 -2.533 1.00 0.00 C ATOM 773 OG1 THR A 53 6.406 15.116 -2.931 1.00 0.00 O ATOM 774 CG2 THR A 53 4.584 15.986 -1.766 1.00 0.00 C ATOM 0 H THR A 53 7.307 13.785 -1.142 1.00 0.00 H new ATOM 0 HA THR A 53 4.355 13.372 -1.082 1.00 0.00 H new ATOM 0 HB THR A 53 4.375 14.514 -3.323 1.00 0.00 H new ATOM 0 HG1 THR A 53 6.931 14.303 -3.084 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.460 16.821 -2.455 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.627 15.756 -1.298 1.00 0.00 H new ATOM 0 HG23 THR A 53 5.309 16.255 -0.997 1.00 0.00 H new ATOM 782 N ILE A 54 4.627 11.315 -2.268 1.00 0.00 N ATOM 783 CA ILE A 54 4.755 10.035 -2.944 1.00 0.00 C ATOM 784 C ILE A 54 3.409 9.654 -3.565 1.00 0.00 C ATOM 785 O ILE A 54 2.379 10.233 -3.225 1.00 0.00 O ATOM 786 CB ILE A 54 5.312 8.978 -1.989 1.00 0.00 C ATOM 787 CG1 ILE A 54 4.208 8.410 -1.095 1.00 0.00 C ATOM 788 CG2 ILE A 54 6.480 9.537 -1.173 1.00 0.00 C ATOM 789 CD1 ILE A 54 4.730 7.244 -0.252 1.00 0.00 C ATOM 0 H ILE A 54 3.783 11.417 -1.705 1.00 0.00 H new ATOM 0 HA ILE A 54 5.475 10.106 -3.760 1.00 0.00 H new ATOM 0 HB ILE A 54 5.701 8.152 -2.584 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.826 9.194 -0.441 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.374 8.073 -1.711 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.857 8.765 -0.502 1.00 0.00 H new ATOM 0 HG22 ILE A 54 7.276 9.853 -1.847 1.00 0.00 H new ATOM 0 HG23 ILE A 54 6.139 10.391 -0.588 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.925 6.859 0.374 1.00 0.00 H new ATOM 0 HD12 ILE A 54 5.089 6.452 -0.909 1.00 0.00 H new ATOM 0 HD13 ILE A 54 5.548 7.590 0.380 1.00 0.00 H new ATOM 801 N GLN A 55 3.462 8.683 -4.464 1.00 0.00 N ATOM 802 CA GLN A 55 2.260 8.218 -5.136 1.00 0.00 C ATOM 803 C GLN A 55 2.267 6.692 -5.241 1.00 0.00 C ATOM 804 O GLN A 55 2.219 6.142 -6.340 1.00 0.00 O ATOM 805 CB GLN A 55 2.120 8.862 -6.516 1.00 0.00 C ATOM 806 CG GLN A 55 0.650 8.954 -6.932 1.00 0.00 C ATOM 807 CD GLN A 55 -0.152 9.787 -5.930 1.00 0.00 C ATOM 808 OE1 GLN A 55 -0.017 10.996 -5.841 1.00 0.00 O ATOM 809 NE2 GLN A 55 -0.991 9.075 -5.184 1.00 0.00 N ATOM 0 H GLN A 55 4.319 8.205 -4.743 1.00 0.00 H new ATOM 0 HA GLN A 55 1.396 8.517 -4.542 1.00 0.00 H new ATOM 0 HB2 GLN A 55 2.561 9.859 -6.502 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.674 8.278 -7.251 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.576 9.401 -7.923 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.225 7.953 -7.001 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.054 8.065 -5.310 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -1.571 9.539 -4.485 1.00 0.00 H new ATOM 818 N ILE A 56 2.328 6.051 -4.082 1.00 0.00 N ATOM 819 CA ILE A 56 2.342 4.599 -4.030 1.00 0.00 C ATOM 820 C ILE A 56 1.421 4.045 -5.119 1.00 0.00 C ATOM 821 O ILE A 56 0.434 4.681 -5.485 1.00 0.00 O ATOM 822 CB ILE A 56 1.993 4.110 -2.623 1.00 0.00 C ATOM 823 CG1 ILE A 56 2.979 4.663 -1.591 1.00 0.00 C ATOM 824 CG2 ILE A 56 1.912 2.583 -2.578 1.00 0.00 C ATOM 825 CD1 ILE A 56 2.239 5.295 -0.410 1.00 0.00 C ATOM 0 H ILE A 56 2.368 6.511 -3.172 1.00 0.00 H new ATOM 0 HA ILE A 56 3.343 4.220 -4.235 1.00 0.00 H new ATOM 0 HB ILE A 56 1.006 4.492 -2.363 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.625 3.861 -1.233 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.624 5.406 -2.060 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.663 2.262 -1.567 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.142 2.239 -3.268 1.00 0.00 H new ATOM 0 HG23 ILE A 56 2.874 2.159 -2.867 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.962 5.680 0.309 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.613 6.112 -0.768 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.614 4.543 0.072 1.00 0.00 H new ATOM 837 N LYS A 57 1.776 2.866 -5.606 1.00 0.00 N ATOM 838 CA LYS A 57 0.994 2.219 -6.646 1.00 0.00 C ATOM 839 C LYS A 57 1.180 0.703 -6.550 1.00 0.00 C ATOM 840 O LYS A 57 2.298 0.203 -6.667 1.00 0.00 O ATOM 841 CB LYS A 57 1.346 2.796 -8.019 1.00 0.00 C ATOM 842 CG LYS A 57 0.660 4.146 -8.238 1.00 0.00 C ATOM 843 CD LYS A 57 0.228 4.311 -9.696 1.00 0.00 C ATOM 844 CE LYS A 57 0.138 5.790 -10.077 1.00 0.00 C ATOM 845 NZ LYS A 57 -1.123 6.063 -10.802 1.00 0.00 N ATOM 0 H LYS A 57 2.595 2.341 -5.300 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.068 2.420 -6.504 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.426 2.915 -8.101 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.042 2.099 -8.800 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.210 4.226 -7.586 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.340 4.952 -7.963 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.940 3.806 -10.349 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.740 3.833 -9.849 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.189 6.406 -9.180 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.989 6.063 -10.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.318 7.084 -10.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.033 5.743 -11.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.905 5.554 -10.343 1.00 0.00 H new ATOM 859 N TYR A 58 0.068 0.015 -6.339 1.00 0.00 N ATOM 860 CA TYR A 58 0.095 -1.434 -6.226 1.00 0.00 C ATOM 861 C TYR A 58 -0.462 -2.093 -7.489 1.00 0.00 C ATOM 862 O TYR A 58 -1.400 -1.581 -8.099 1.00 0.00 O ATOM 863 CB TYR A 58 -0.810 -1.781 -5.042 1.00 0.00 C ATOM 864 CG TYR A 58 -2.298 -1.841 -5.394 1.00 0.00 C ATOM 865 CD1 TYR A 58 -2.822 -2.970 -5.988 1.00 0.00 C ATOM 866 CD2 TYR A 58 -3.116 -0.765 -5.115 1.00 0.00 C ATOM 867 CE1 TYR A 58 -4.222 -3.027 -6.319 1.00 0.00 C ATOM 868 CE2 TYR A 58 -4.517 -0.821 -5.446 1.00 0.00 C ATOM 869 CZ TYR A 58 -5.001 -1.949 -6.032 1.00 0.00 C ATOM 870 OH TYR A 58 -6.323 -2.002 -6.344 1.00 0.00 O ATOM 0 H TYR A 58 -0.857 0.433 -6.243 1.00 0.00 H new ATOM 0 HA TYR A 58 1.116 -1.790 -6.090 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -0.504 -2.744 -4.634 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -0.663 -1.041 -4.256 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -2.182 -3.812 -6.205 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -2.706 0.119 -4.649 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -4.644 -3.905 -6.784 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -5.168 0.014 -5.234 1.00 0.00 H new ATOM 0 HH TYR A 58 -6.798 -1.283 -5.877 1.00 0.00 H new ATOM 880 N LEU A 59 0.140 -3.218 -7.845 1.00 0.00 N ATOM 881 CA LEU A 59 -0.284 -3.952 -9.025 1.00 0.00 C ATOM 882 C LEU A 59 -1.554 -4.742 -8.700 1.00 0.00 C ATOM 883 O LEU A 59 -1.609 -5.449 -7.696 1.00 0.00 O ATOM 884 CB LEU A 59 0.859 -4.818 -9.557 1.00 0.00 C ATOM 885 CG LEU A 59 1.869 -4.112 -10.465 1.00 0.00 C ATOM 886 CD1 LEU A 59 2.805 -5.122 -11.133 1.00 0.00 C ATOM 887 CD2 LEU A 59 1.159 -3.225 -11.489 1.00 0.00 C ATOM 0 H LEU A 59 0.918 -3.639 -7.337 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.534 -3.263 -9.832 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.396 -5.238 -8.707 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.429 -5.655 -10.107 1.00 0.00 H new ATOM 0 HG LEU A 59 2.486 -3.460 -9.847 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.513 -4.595 -11.773 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.350 -5.675 -10.368 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.220 -5.817 -11.735 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.899 -2.735 -12.121 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.502 -3.837 -12.107 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.569 -2.470 -10.969 1.00 0.00 H new ATOM 899 N ASP A 60 -2.543 -4.595 -9.570 1.00 0.00 N ATOM 900 CA ASP A 60 -3.808 -5.285 -9.388 1.00 0.00 C ATOM 901 C ASP A 60 -3.717 -6.681 -10.009 1.00 0.00 C ATOM 902 O ASP A 60 -2.652 -7.091 -10.468 1.00 0.00 O ATOM 903 CB ASP A 60 -4.949 -4.535 -10.077 1.00 0.00 C ATOM 904 CG ASP A 60 -4.564 -3.823 -11.375 1.00 0.00 C ATOM 905 OD1 ASP A 60 -3.986 -4.507 -12.247 1.00 0.00 O ATOM 906 OD2 ASP A 60 -4.856 -2.611 -11.466 1.00 0.00 O ATOM 0 H ASP A 60 -2.493 -4.008 -10.403 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.009 -5.343 -8.318 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -5.751 -5.242 -10.292 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -5.351 -3.798 -9.382 1.00 0.00 H new ATOM 911 N GLU A 61 -4.847 -7.371 -10.003 1.00 0.00 N ATOM 912 CA GLU A 61 -4.908 -8.712 -10.561 1.00 0.00 C ATOM 913 C GLU A 61 -4.602 -8.678 -12.059 1.00 0.00 C ATOM 914 O GLU A 61 -4.421 -9.723 -12.683 1.00 0.00 O ATOM 915 CB GLU A 61 -6.270 -9.355 -10.294 1.00 0.00 C ATOM 916 CG GLU A 61 -6.401 -9.773 -8.828 1.00 0.00 C ATOM 917 CD GLU A 61 -6.781 -11.251 -8.711 1.00 0.00 C ATOM 918 OE1 GLU A 61 -6.195 -12.050 -9.473 1.00 0.00 O ATOM 919 OE2 GLU A 61 -7.650 -11.548 -7.862 1.00 0.00 O ATOM 0 H GLU A 61 -5.728 -7.027 -9.621 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.151 -9.324 -10.070 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -7.064 -8.653 -10.548 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.397 -10.226 -10.937 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.459 -9.594 -8.309 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -7.157 -9.160 -8.337 1.00 0.00 H new ATOM 926 N GLU A 62 -4.554 -7.467 -12.594 1.00 0.00 N ATOM 927 CA GLU A 62 -4.272 -7.283 -14.008 1.00 0.00 C ATOM 928 C GLU A 62 -2.820 -6.845 -14.208 1.00 0.00 C ATOM 929 O GLU A 62 -2.380 -6.638 -15.338 1.00 0.00 O ATOM 930 CB GLU A 62 -5.240 -6.277 -14.633 1.00 0.00 C ATOM 931 CG GLU A 62 -6.688 -6.751 -14.498 1.00 0.00 C ATOM 932 CD GLU A 62 -7.497 -6.408 -15.750 1.00 0.00 C ATOM 933 OE1 GLU A 62 -6.982 -6.690 -16.854 1.00 0.00 O ATOM 934 OE2 GLU A 62 -8.612 -5.871 -15.576 1.00 0.00 O ATOM 0 H GLU A 62 -4.706 -6.603 -12.074 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.415 -8.238 -14.514 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.125 -5.307 -14.149 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.996 -6.138 -15.686 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.708 -7.828 -14.332 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.147 -6.286 -13.626 1.00 0.00 H new ATOM 941 N ASN A 63 -2.116 -6.715 -13.093 1.00 0.00 N ATOM 942 CA ASN A 63 -0.722 -6.305 -13.131 1.00 0.00 C ATOM 943 C ASN A 63 -0.642 -4.824 -13.505 1.00 0.00 C ATOM 944 O ASN A 63 0.332 -4.386 -14.115 1.00 0.00 O ATOM 945 CB ASN A 63 0.057 -7.100 -14.181 1.00 0.00 C ATOM 946 CG ASN A 63 1.197 -7.890 -13.534 1.00 0.00 C ATOM 947 OD1 ASN A 63 2.028 -7.357 -12.818 1.00 0.00 O ATOM 948 ND2 ASN A 63 1.191 -9.187 -13.827 1.00 0.00 N ATOM 0 H ASN A 63 -2.485 -6.886 -12.158 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.289 -6.486 -12.147 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -0.616 -7.783 -14.699 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.461 -6.421 -14.932 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.912 -9.799 -13.445 1.00 0.00 H new ATOM 0 HD22 ASN A 63 0.466 -9.569 -14.434 1.00 0.00 H new ATOM 955 N GLU A 64 -1.678 -4.092 -13.123 1.00 0.00 N ATOM 956 CA GLU A 64 -1.737 -2.669 -13.410 1.00 0.00 C ATOM 957 C GLU A 64 -1.524 -1.860 -12.129 1.00 0.00 C ATOM 958 O GLU A 64 -2.213 -2.076 -11.132 1.00 0.00 O ATOM 959 CB GLU A 64 -3.062 -2.299 -14.078 1.00 0.00 C ATOM 960 CG GLU A 64 -3.122 -2.834 -15.511 1.00 0.00 C ATOM 961 CD GLU A 64 -4.555 -2.810 -16.046 1.00 0.00 C ATOM 962 OE1 GLU A 64 -5.106 -1.692 -16.141 1.00 0.00 O ATOM 963 OE2 GLU A 64 -5.067 -3.909 -16.347 1.00 0.00 O ATOM 0 H GLU A 64 -2.484 -4.458 -12.617 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.936 -2.425 -14.108 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.891 -2.706 -13.499 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.180 -1.215 -14.085 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.480 -2.233 -16.155 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.737 -3.853 -15.539 1.00 0.00 H new ATOM 970 N GLU A 65 -0.568 -0.945 -12.196 1.00 0.00 N ATOM 971 CA GLU A 65 -0.257 -0.103 -11.054 1.00 0.00 C ATOM 972 C GLU A 65 -1.494 0.688 -10.624 1.00 0.00 C ATOM 973 O GLU A 65 -2.065 1.434 -11.419 1.00 0.00 O ATOM 974 CB GLU A 65 0.912 0.834 -11.367 1.00 0.00 C ATOM 975 CG GLU A 65 2.249 0.177 -11.020 1.00 0.00 C ATOM 976 CD GLU A 65 3.360 1.223 -10.902 1.00 0.00 C ATOM 977 OE1 GLU A 65 3.216 2.280 -11.555 1.00 0.00 O ATOM 978 OE2 GLU A 65 4.327 0.943 -10.162 1.00 0.00 O ATOM 0 H GLU A 65 0.001 -0.769 -13.024 1.00 0.00 H new ATOM 0 HA GLU A 65 0.045 -0.744 -10.226 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.897 1.100 -12.424 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.801 1.761 -10.804 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.157 -0.369 -10.081 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.510 -0.551 -11.788 1.00 0.00 H new ATOM 985 N VAL A 66 -1.871 0.499 -9.369 1.00 0.00 N ATOM 986 CA VAL A 66 -3.030 1.185 -8.824 1.00 0.00 C ATOM 987 C VAL A 66 -2.596 2.045 -7.636 1.00 0.00 C ATOM 988 O VAL A 66 -2.039 1.534 -6.665 1.00 0.00 O ATOM 989 CB VAL A 66 -4.117 0.171 -8.462 1.00 0.00 C ATOM 990 CG1 VAL A 66 -5.353 0.871 -7.893 1.00 0.00 C ATOM 991 CG2 VAL A 66 -4.484 -0.694 -9.670 1.00 0.00 C ATOM 0 H VAL A 66 -1.394 -0.120 -8.713 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.463 1.853 -9.569 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.718 -0.485 -7.688 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.110 0.127 -7.644 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.077 1.423 -6.994 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.753 1.562 -8.635 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.259 -1.406 -9.386 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.854 -0.058 -10.474 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.602 -1.235 -10.012 1.00 0.00 H new ATOM 1001 N SER A 67 -2.868 3.337 -7.750 1.00 0.00 N ATOM 1002 CA SER A 67 -2.512 4.273 -6.698 1.00 0.00 C ATOM 1003 C SER A 67 -3.644 4.362 -5.672 1.00 0.00 C ATOM 1004 O SER A 67 -4.818 4.383 -6.038 1.00 0.00 O ATOM 1005 CB SER A 67 -2.207 5.658 -7.272 1.00 0.00 C ATOM 1006 OG SER A 67 -3.392 6.419 -7.489 1.00 0.00 O ATOM 0 H SER A 67 -3.331 3.757 -8.556 1.00 0.00 H new ATOM 0 HA SER A 67 -1.611 3.907 -6.206 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.550 6.197 -6.589 1.00 0.00 H new ATOM 0 HB3 SER A 67 -1.668 5.550 -8.213 1.00 0.00 H new ATOM 0 HG SER A 67 -3.155 7.297 -7.854 1.00 0.00 H new ATOM 1012 N ILE A 68 -3.252 4.411 -4.407 1.00 0.00 N ATOM 1013 CA ILE A 68 -4.219 4.497 -3.326 1.00 0.00 C ATOM 1014 C ILE A 68 -4.242 5.927 -2.782 1.00 0.00 C ATOM 1015 O ILE A 68 -3.193 6.510 -2.513 1.00 0.00 O ATOM 1016 CB ILE A 68 -3.927 3.438 -2.262 1.00 0.00 C ATOM 1017 CG1 ILE A 68 -3.957 2.032 -2.864 1.00 0.00 C ATOM 1018 CG2 ILE A 68 -4.885 3.574 -1.076 1.00 0.00 C ATOM 1019 CD1 ILE A 68 -3.469 0.992 -1.853 1.00 0.00 C ATOM 0 H ILE A 68 -2.277 4.393 -4.107 1.00 0.00 H new ATOM 0 HA ILE A 68 -5.222 4.279 -3.692 1.00 0.00 H new ATOM 0 HB ILE A 68 -2.919 3.604 -1.883 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -4.972 1.789 -3.180 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.330 2.001 -3.755 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.656 2.809 -0.334 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -4.771 4.561 -0.627 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -5.911 3.449 -1.421 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.500 0.001 -2.306 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.446 1.224 -1.558 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.113 1.009 -0.974 1.00 0.00 H new ATOM 1031 N ASN A 69 -5.451 6.450 -2.634 1.00 0.00 N ATOM 1032 CA ASN A 69 -5.625 7.800 -2.126 1.00 0.00 C ATOM 1033 C ASN A 69 -6.431 7.751 -0.827 1.00 0.00 C ATOM 1034 O ASN A 69 -6.125 8.468 0.125 1.00 0.00 O ATOM 1035 CB ASN A 69 -6.390 8.670 -3.125 1.00 0.00 C ATOM 1036 CG ASN A 69 -5.433 9.547 -3.935 1.00 0.00 C ATOM 1037 OD1 ASN A 69 -5.385 10.757 -3.789 1.00 0.00 O ATOM 1038 ND2 ASN A 69 -4.675 8.871 -4.794 1.00 0.00 N ATOM 0 H ASN A 69 -6.319 5.963 -2.857 1.00 0.00 H new ATOM 0 HA ASN A 69 -4.636 8.228 -1.959 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -6.966 8.035 -3.799 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -7.103 9.299 -2.593 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -4.003 9.366 -5.380 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -4.766 7.858 -4.866 1.00 0.00 H new ATOM 1045 N SER A 70 -7.446 6.899 -0.829 1.00 0.00 N ATOM 1046 CA SER A 70 -8.298 6.747 0.338 1.00 0.00 C ATOM 1047 C SER A 70 -8.236 5.306 0.848 1.00 0.00 C ATOM 1048 O SER A 70 -7.516 4.478 0.292 1.00 0.00 O ATOM 1049 CB SER A 70 -9.743 7.135 0.018 1.00 0.00 C ATOM 1050 OG SER A 70 -9.821 8.369 -0.690 1.00 0.00 O ATOM 0 H SER A 70 -7.697 6.307 -1.621 1.00 0.00 H new ATOM 0 HA SER A 70 -7.934 7.417 1.117 1.00 0.00 H new ATOM 0 HB2 SER A 70 -10.207 6.347 -0.575 1.00 0.00 H new ATOM 0 HB3 SER A 70 -10.311 7.213 0.945 1.00 0.00 H new ATOM 0 HG SER A 70 -10.760 8.580 -0.877 1.00 0.00 H new ATOM 1056 N GLN A 71 -9.000 5.051 1.900 1.00 0.00 N ATOM 1057 CA GLN A 71 -9.040 3.725 2.491 1.00 0.00 C ATOM 1058 C GLN A 71 -9.635 2.720 1.502 1.00 0.00 C ATOM 1059 O GLN A 71 -9.016 1.701 1.200 1.00 0.00 O ATOM 1060 CB GLN A 71 -9.827 3.733 3.803 1.00 0.00 C ATOM 1061 CG GLN A 71 -9.915 2.326 4.399 1.00 0.00 C ATOM 1062 CD GLN A 71 -9.075 2.217 5.673 1.00 0.00 C ATOM 1063 OE1 GLN A 71 -9.271 2.934 6.640 1.00 0.00 O ATOM 1064 NE2 GLN A 71 -8.130 1.282 5.620 1.00 0.00 N ATOM 0 H GLN A 71 -9.596 5.740 2.358 1.00 0.00 H new ATOM 0 HA GLN A 71 -8.019 3.420 2.719 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -9.347 4.404 4.515 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.830 4.121 3.627 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.954 2.086 4.623 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -9.570 1.595 3.668 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -8.019 0.716 4.779 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -7.516 1.131 6.421 1.00 0.00 H new ATOM 1073 N GLY A 72 -10.828 3.044 1.024 1.00 0.00 N ATOM 1074 CA GLY A 72 -11.512 2.183 0.075 1.00 0.00 C ATOM 1075 C GLY A 72 -10.525 1.569 -0.920 1.00 0.00 C ATOM 1076 O GLY A 72 -10.524 0.357 -1.131 1.00 0.00 O ATOM 0 H GLY A 72 -11.338 3.891 1.276 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -12.035 1.390 0.610 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -12.267 2.756 -0.463 1.00 0.00 H new ATOM 1080 N GLU A 73 -9.709 2.433 -1.504 1.00 0.00 N ATOM 1081 CA GLU A 73 -8.719 1.992 -2.472 1.00 0.00 C ATOM 1082 C GLU A 73 -7.776 0.968 -1.836 1.00 0.00 C ATOM 1083 O GLU A 73 -7.458 -0.051 -2.447 1.00 0.00 O ATOM 1084 CB GLU A 73 -7.938 3.179 -3.038 1.00 0.00 C ATOM 1085 CG GLU A 73 -8.828 4.043 -3.935 1.00 0.00 C ATOM 1086 CD GLU A 73 -8.001 5.095 -4.677 1.00 0.00 C ATOM 1087 OE1 GLU A 73 -7.131 4.677 -5.471 1.00 0.00 O ATOM 1088 OE2 GLU A 73 -8.258 6.294 -4.433 1.00 0.00 O ATOM 0 H GLU A 73 -9.713 3.437 -1.326 1.00 0.00 H new ATOM 0 HA GLU A 73 -9.239 1.513 -3.302 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.544 3.783 -2.221 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -7.082 2.817 -3.608 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -9.349 3.411 -4.654 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.591 4.534 -3.331 1.00 0.00 H new ATOM 1095 N TYR A 74 -7.355 1.275 -0.618 1.00 0.00 N ATOM 1096 CA TYR A 74 -6.455 0.394 0.107 1.00 0.00 C ATOM 1097 C TYR A 74 -7.142 -0.928 0.454 1.00 0.00 C ATOM 1098 O TYR A 74 -6.589 -2.000 0.218 1.00 0.00 O ATOM 1099 CB TYR A 74 -6.101 1.127 1.402 1.00 0.00 C ATOM 1100 CG TYR A 74 -5.043 0.416 2.250 1.00 0.00 C ATOM 1101 CD1 TYR A 74 -3.984 -0.222 1.638 1.00 0.00 C ATOM 1102 CD2 TYR A 74 -5.149 0.414 3.626 1.00 0.00 C ATOM 1103 CE1 TYR A 74 -2.988 -0.891 2.436 1.00 0.00 C ATOM 1104 CE2 TYR A 74 -4.154 -0.254 4.423 1.00 0.00 C ATOM 1105 CZ TYR A 74 -3.123 -0.874 3.789 1.00 0.00 C ATOM 1106 OH TYR A 74 -2.183 -1.505 4.542 1.00 0.00 O ATOM 0 H TYR A 74 -7.620 2.122 -0.115 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.577 0.162 -0.496 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.743 2.127 1.156 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -7.006 1.250 1.997 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -3.901 -0.220 0.561 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.978 0.914 4.105 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -2.154 -1.394 1.970 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -4.225 -0.263 5.501 1.00 0.00 H new ATOM 0 HH TYR A 74 -2.618 -1.970 5.287 1.00 0.00 H new ATOM 1116 N GLU A 75 -8.339 -0.807 1.009 1.00 0.00 N ATOM 1117 CA GLU A 75 -9.108 -1.980 1.391 1.00 0.00 C ATOM 1118 C GLU A 75 -9.041 -3.040 0.291 1.00 0.00 C ATOM 1119 O GLU A 75 -8.512 -4.130 0.506 1.00 0.00 O ATOM 1120 CB GLU A 75 -10.559 -1.606 1.704 1.00 0.00 C ATOM 1121 CG GLU A 75 -10.647 -0.783 2.991 1.00 0.00 C ATOM 1122 CD GLU A 75 -11.755 -1.311 3.905 1.00 0.00 C ATOM 1123 OE1 GLU A 75 -12.933 -1.059 3.573 1.00 0.00 O ATOM 1124 OE2 GLU A 75 -11.398 -1.956 4.915 1.00 0.00 O ATOM 0 H GLU A 75 -8.795 0.084 1.203 1.00 0.00 H new ATOM 0 HA GLU A 75 -8.671 -2.397 2.298 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -10.979 -1.037 0.875 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -11.158 -2.511 1.805 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.692 -0.817 3.515 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.839 0.262 2.746 1.00 0.00 H new ATOM 1131 N GLU A 76 -9.584 -2.685 -0.864 1.00 0.00 N ATOM 1132 CA GLU A 76 -9.592 -3.593 -1.998 1.00 0.00 C ATOM 1133 C GLU A 76 -8.199 -4.190 -2.210 1.00 0.00 C ATOM 1134 O GLU A 76 -8.041 -5.410 -2.236 1.00 0.00 O ATOM 1135 CB GLU A 76 -10.083 -2.886 -3.263 1.00 0.00 C ATOM 1136 CG GLU A 76 -11.580 -2.582 -3.175 1.00 0.00 C ATOM 1137 CD GLU A 76 -12.401 -3.666 -3.875 1.00 0.00 C ATOM 1138 OE1 GLU A 76 -11.864 -4.251 -4.841 1.00 0.00 O ATOM 1139 OE2 GLU A 76 -13.548 -3.887 -3.429 1.00 0.00 O ATOM 0 H GLU A 76 -10.022 -1.780 -1.039 1.00 0.00 H new ATOM 0 HA GLU A 76 -10.286 -4.406 -1.783 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -9.528 -1.959 -3.405 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -9.886 -3.512 -4.133 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -11.880 -2.512 -2.129 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -11.786 -1.614 -3.631 1.00 0.00 H new ATOM 1146 N ALA A 77 -7.226 -3.303 -2.356 1.00 0.00 N ATOM 1147 CA ALA A 77 -5.852 -3.728 -2.564 1.00 0.00 C ATOM 1148 C ALA A 77 -5.485 -4.784 -1.520 1.00 0.00 C ATOM 1149 O ALA A 77 -4.822 -5.771 -1.836 1.00 0.00 O ATOM 1150 CB ALA A 77 -4.927 -2.510 -2.511 1.00 0.00 C ATOM 0 H ALA A 77 -7.362 -2.292 -2.334 1.00 0.00 H new ATOM 0 HA ALA A 77 -5.736 -4.183 -3.548 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -3.896 -2.829 -2.667 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.210 -1.804 -3.291 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -5.014 -2.029 -1.537 1.00 0.00 H new ATOM 1156 N LEU A 78 -5.932 -4.541 -0.296 1.00 0.00 N ATOM 1157 CA LEU A 78 -5.659 -5.459 0.796 1.00 0.00 C ATOM 1158 C LEU A 78 -6.391 -6.778 0.543 1.00 0.00 C ATOM 1159 O LEU A 78 -5.876 -7.849 0.863 1.00 0.00 O ATOM 1160 CB LEU A 78 -6.004 -4.811 2.139 1.00 0.00 C ATOM 1161 CG LEU A 78 -4.959 -3.851 2.710 1.00 0.00 C ATOM 1162 CD1 LEU A 78 -5.538 -3.033 3.865 1.00 0.00 C ATOM 1163 CD2 LEU A 78 -3.690 -4.602 3.119 1.00 0.00 C ATOM 0 H LEU A 78 -6.481 -3.721 -0.037 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.595 -5.689 0.843 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.943 -4.269 2.028 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.177 -5.603 2.868 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.678 -3.147 1.927 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -4.774 -2.359 4.252 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.388 -2.451 3.509 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.865 -3.705 4.659 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -2.963 -3.896 3.522 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.935 -5.344 3.879 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.266 -5.102 2.248 1.00 0.00 H new ATOM 1175 N LYS A 79 -7.579 -6.658 -0.029 1.00 0.00 N ATOM 1176 CA LYS A 79 -8.387 -7.828 -0.329 1.00 0.00 C ATOM 1177 C LYS A 79 -7.662 -8.692 -1.362 1.00 0.00 C ATOM 1178 O LYS A 79 -7.664 -9.918 -1.263 1.00 0.00 O ATOM 1179 CB LYS A 79 -9.796 -7.411 -0.756 1.00 0.00 C ATOM 1180 CG LYS A 79 -10.623 -6.957 0.449 1.00 0.00 C ATOM 1181 CD LYS A 79 -11.343 -5.640 0.155 1.00 0.00 C ATOM 1182 CE LYS A 79 -12.436 -5.369 1.190 1.00 0.00 C ATOM 1183 NZ LYS A 79 -13.526 -4.564 0.595 1.00 0.00 N ATOM 0 H LYS A 79 -8.002 -5.768 -0.293 1.00 0.00 H new ATOM 0 HA LYS A 79 -8.517 -8.440 0.564 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.735 -6.603 -1.485 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -10.293 -8.247 -1.248 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -11.353 -7.725 0.704 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -9.973 -6.835 1.315 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -10.624 -4.820 0.157 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.782 -5.676 -0.842 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -12.835 -6.313 1.562 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -12.012 -4.843 2.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -14.259 -4.389 1.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -13.145 -3.656 0.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.941 -5.080 -0.207 1.00 0.00 H new ATOM 1197 N MET A 80 -7.058 -8.019 -2.331 1.00 0.00 N ATOM 1198 CA MET A 80 -6.330 -8.710 -3.381 1.00 0.00 C ATOM 1199 C MET A 80 -5.056 -9.356 -2.832 1.00 0.00 C ATOM 1200 O MET A 80 -4.660 -10.431 -3.277 1.00 0.00 O ATOM 1201 CB MET A 80 -5.965 -7.718 -4.487 1.00 0.00 C ATOM 1202 CG MET A 80 -5.415 -8.445 -5.716 1.00 0.00 C ATOM 1203 SD MET A 80 -4.470 -7.313 -6.722 1.00 0.00 S ATOM 1204 CE MET A 80 -2.822 -7.691 -6.150 1.00 0.00 C ATOM 0 H MET A 80 -7.058 -7.002 -2.411 1.00 0.00 H new ATOM 0 HA MET A 80 -6.969 -9.497 -3.783 1.00 0.00 H new ATOM 0 HB2 MET A 80 -6.845 -7.139 -4.766 1.00 0.00 H new ATOM 0 HB3 MET A 80 -5.223 -7.011 -4.116 1.00 0.00 H new ATOM 0 HG2 MET A 80 -4.787 -9.279 -5.404 1.00 0.00 H new ATOM 0 HG3 MET A 80 -6.236 -8.864 -6.298 1.00 0.00 H new ATOM 0 HE1 MET A 80 -2.226 -6.779 -6.128 1.00 0.00 H new ATOM 0 HE2 MET A 80 -2.873 -8.115 -5.147 1.00 0.00 H new ATOM 0 HE3 MET A 80 -2.359 -8.411 -6.825 1.00 0.00 H new ATOM 1214 N ALA A 81 -4.450 -8.671 -1.873 1.00 0.00 N ATOM 1215 CA ALA A 81 -3.229 -9.164 -1.259 1.00 0.00 C ATOM 1216 C ALA A 81 -3.479 -10.561 -0.687 1.00 0.00 C ATOM 1217 O ALA A 81 -2.651 -11.457 -0.843 1.00 0.00 O ATOM 1218 CB ALA A 81 -2.758 -8.173 -0.192 1.00 0.00 C ATOM 0 H ALA A 81 -4.782 -7.779 -1.506 1.00 0.00 H new ATOM 0 HA ALA A 81 -2.434 -9.248 -2.000 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -1.842 -8.543 0.269 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.567 -7.205 -0.654 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.530 -8.065 0.570 1.00 0.00 H new ATOM 1224 N VAL A 82 -4.625 -10.702 -0.036 1.00 0.00 N ATOM 1225 CA VAL A 82 -4.994 -11.975 0.560 1.00 0.00 C ATOM 1226 C VAL A 82 -4.931 -13.070 -0.506 1.00 0.00 C ATOM 1227 O VAL A 82 -4.454 -14.173 -0.241 1.00 0.00 O ATOM 1228 CB VAL A 82 -6.369 -11.863 1.222 1.00 0.00 C ATOM 1229 CG1 VAL A 82 -6.818 -13.214 1.784 1.00 0.00 C ATOM 1230 CG2 VAL A 82 -6.368 -10.789 2.311 1.00 0.00 C ATOM 0 H VAL A 82 -5.309 -9.956 0.092 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.290 -12.247 1.347 1.00 0.00 H new ATOM 0 HB VAL A 82 -7.086 -11.563 0.457 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -7.798 -13.107 2.249 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.878 -13.943 0.976 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -6.099 -13.556 2.528 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -7.357 -10.730 2.765 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.633 -11.045 3.074 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -6.113 -9.825 1.871 1.00 0.00 H new ATOM 1240 N LYS A 83 -5.419 -12.728 -1.689 1.00 0.00 N ATOM 1241 CA LYS A 83 -5.424 -13.669 -2.797 1.00 0.00 C ATOM 1242 C LYS A 83 -3.990 -14.119 -3.085 1.00 0.00 C ATOM 1243 O LYS A 83 -3.726 -15.312 -3.223 1.00 0.00 O ATOM 1244 CB LYS A 83 -6.134 -13.065 -4.010 1.00 0.00 C ATOM 1245 CG LYS A 83 -7.609 -12.794 -3.703 1.00 0.00 C ATOM 1246 CD LYS A 83 -8.460 -12.901 -4.970 1.00 0.00 C ATOM 1247 CE LYS A 83 -9.203 -11.591 -5.242 1.00 0.00 C ATOM 1248 NZ LYS A 83 -10.594 -11.671 -4.742 1.00 0.00 N ATOM 0 H LYS A 83 -5.814 -11.813 -1.905 1.00 0.00 H new ATOM 0 HA LYS A 83 -5.992 -14.562 -2.536 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -5.642 -12.136 -4.299 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -6.054 -13.745 -4.858 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -7.966 -13.506 -2.959 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -7.718 -11.799 -3.270 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -7.824 -13.146 -5.820 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -9.177 -13.715 -4.863 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -8.683 -10.764 -4.758 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -9.206 -11.383 -6.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -11.084 -10.774 -4.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -11.092 -12.448 -5.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -10.585 -11.848 -3.717 1.00 0.00 H new ATOM 1262 N GLN A 84 -3.102 -13.139 -3.167 1.00 0.00 N ATOM 1263 CA GLN A 84 -1.701 -13.419 -3.436 1.00 0.00 C ATOM 1264 C GLN A 84 -1.137 -14.368 -2.377 1.00 0.00 C ATOM 1265 O GLN A 84 -0.740 -15.489 -2.691 1.00 0.00 O ATOM 1266 CB GLN A 84 -0.887 -12.126 -3.503 1.00 0.00 C ATOM 1267 CG GLN A 84 -1.615 -11.062 -4.328 1.00 0.00 C ATOM 1268 CD GLN A 84 -0.673 -10.421 -5.349 1.00 0.00 C ATOM 1269 OE1 GLN A 84 -0.068 -11.084 -6.176 1.00 0.00 O ATOM 1270 NE2 GLN A 84 -0.584 -9.098 -5.248 1.00 0.00 N ATOM 0 H GLN A 84 -3.325 -12.150 -3.052 1.00 0.00 H new ATOM 0 HA GLN A 84 -1.628 -13.906 -4.408 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -0.709 -11.751 -2.495 1.00 0.00 H new ATOM 0 HB3 GLN A 84 0.089 -12.329 -3.944 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -2.463 -11.513 -4.843 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -2.016 -10.295 -3.666 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -1.118 -8.604 -4.533 1.00 0.00 H new ATOM 0 HE22 GLN A 84 0.018 -8.577 -5.886 1.00 0.00 H new ATOM 1279 N GLY A 85 -1.119 -13.884 -1.144 1.00 0.00 N ATOM 1280 CA GLY A 85 -0.610 -14.675 -0.036 1.00 0.00 C ATOM 1281 C GLY A 85 -0.301 -13.790 1.173 1.00 0.00 C ATOM 1282 O GLY A 85 0.731 -13.957 1.822 1.00 0.00 O ATOM 0 H GLY A 85 -1.449 -12.954 -0.887 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.343 -15.433 0.241 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.292 -15.202 -0.345 1.00 0.00 H new ATOM 1286 N ASN A 86 -1.214 -12.868 1.440 1.00 0.00 N ATOM 1287 CA ASN A 86 -1.052 -11.956 2.560 1.00 0.00 C ATOM 1288 C ASN A 86 0.066 -10.961 2.245 1.00 0.00 C ATOM 1289 O ASN A 86 0.796 -10.538 3.140 1.00 0.00 O ATOM 1290 CB ASN A 86 -0.668 -12.712 3.834 1.00 0.00 C ATOM 1291 CG ASN A 86 -1.557 -13.941 4.032 1.00 0.00 C ATOM 1292 OD1 ASN A 86 -1.235 -15.045 3.624 1.00 0.00 O ATOM 1293 ND2 ASN A 86 -2.691 -13.690 4.680 1.00 0.00 N ATOM 0 H ASN A 86 -2.069 -12.733 0.900 1.00 0.00 H new ATOM 0 HA ASN A 86 -2.001 -11.443 2.717 1.00 0.00 H new ATOM 0 HB2 ASN A 86 0.376 -13.020 3.778 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -0.759 -12.050 4.695 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -3.352 -14.445 4.862 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -2.900 -12.742 4.995 1.00 0.00 H new ATOM 1300 N GLN A 87 0.165 -10.616 0.969 1.00 0.00 N ATOM 1301 CA GLN A 87 1.182 -9.678 0.525 1.00 0.00 C ATOM 1302 C GLN A 87 0.668 -8.861 -0.662 1.00 0.00 C ATOM 1303 O GLN A 87 -0.236 -9.295 -1.374 1.00 0.00 O ATOM 1304 CB GLN A 87 2.480 -10.405 0.169 1.00 0.00 C ATOM 1305 CG GLN A 87 2.298 -11.273 -1.078 1.00 0.00 C ATOM 1306 CD GLN A 87 2.686 -10.504 -2.342 1.00 0.00 C ATOM 1307 OE1 GLN A 87 2.962 -9.316 -2.317 1.00 0.00 O ATOM 1308 NE2 GLN A 87 2.692 -11.246 -3.446 1.00 0.00 N ATOM 0 H GLN A 87 -0.442 -10.969 0.229 1.00 0.00 H new ATOM 0 HA GLN A 87 1.401 -8.994 1.345 1.00 0.00 H new ATOM 0 HB2 GLN A 87 3.273 -9.677 -0.003 1.00 0.00 H new ATOM 0 HB3 GLN A 87 2.794 -11.027 1.007 1.00 0.00 H new ATOM 0 HG2 GLN A 87 2.909 -12.171 -0.993 1.00 0.00 H new ATOM 0 HG3 GLN A 87 1.260 -11.599 -1.150 1.00 0.00 H new ATOM 0 HE21 GLN A 87 2.451 -12.236 -3.397 1.00 0.00 H new ATOM 0 HE22 GLN A 87 2.938 -10.825 -4.342 1.00 0.00 H new ATOM 1317 N LEU A 88 1.266 -7.692 -0.838 1.00 0.00 N ATOM 1318 CA LEU A 88 0.880 -6.810 -1.927 1.00 0.00 C ATOM 1319 C LEU A 88 2.128 -6.127 -2.491 1.00 0.00 C ATOM 1320 O LEU A 88 3.014 -5.725 -1.738 1.00 0.00 O ATOM 1321 CB LEU A 88 -0.202 -5.832 -1.466 1.00 0.00 C ATOM 1322 CG LEU A 88 -0.901 -5.036 -2.570 1.00 0.00 C ATOM 1323 CD1 LEU A 88 -1.496 -5.969 -3.626 1.00 0.00 C ATOM 1324 CD2 LEU A 88 -1.951 -4.091 -1.983 1.00 0.00 C ATOM 0 H LEU A 88 2.015 -7.335 -0.245 1.00 0.00 H new ATOM 0 HA LEU A 88 0.434 -7.382 -2.741 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.958 -6.391 -0.914 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.247 -5.127 -0.766 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.155 -4.418 -3.070 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.987 -5.378 -4.399 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.701 -6.565 -4.075 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.225 -6.631 -3.158 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.433 -3.537 -2.789 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.700 -4.670 -1.442 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.470 -3.392 -1.299 1.00 0.00 H new ATOM 1336 N GLN A 89 2.157 -6.016 -3.811 1.00 0.00 N ATOM 1337 CA GLN A 89 3.281 -5.387 -4.484 1.00 0.00 C ATOM 1338 C GLN A 89 2.983 -3.911 -4.750 1.00 0.00 C ATOM 1339 O GLN A 89 2.238 -3.580 -5.672 1.00 0.00 O ATOM 1340 CB GLN A 89 3.622 -6.121 -5.783 1.00 0.00 C ATOM 1341 CG GLN A 89 4.896 -6.953 -5.625 1.00 0.00 C ATOM 1342 CD GLN A 89 4.703 -8.363 -6.187 1.00 0.00 C ATOM 1343 OE1 GLN A 89 3.873 -9.132 -5.732 1.00 0.00 O ATOM 1344 NE2 GLN A 89 5.514 -8.657 -7.199 1.00 0.00 N ATOM 0 H GLN A 89 1.421 -6.351 -4.432 1.00 0.00 H new ATOM 0 HA GLN A 89 4.151 -5.449 -3.831 1.00 0.00 H new ATOM 0 HB2 GLN A 89 2.793 -6.769 -6.067 1.00 0.00 H new ATOM 0 HB3 GLN A 89 3.753 -5.399 -6.589 1.00 0.00 H new ATOM 0 HG2 GLN A 89 5.722 -6.462 -6.140 1.00 0.00 H new ATOM 0 HG3 GLN A 89 5.168 -7.012 -4.571 1.00 0.00 H new ATOM 0 HE21 GLN A 89 6.187 -7.966 -7.531 1.00 0.00 H new ATOM 0 HE22 GLN A 89 5.463 -9.574 -7.643 1.00 0.00 H new ATOM 1353 N MET A 90 3.579 -3.062 -3.926 1.00 0.00 N ATOM 1354 CA MET A 90 3.387 -1.628 -4.061 1.00 0.00 C ATOM 1355 C MET A 90 4.657 -0.950 -4.579 1.00 0.00 C ATOM 1356 O MET A 90 5.766 -1.359 -4.238 1.00 0.00 O ATOM 1357 CB MET A 90 3.009 -1.033 -2.703 1.00 0.00 C ATOM 1358 CG MET A 90 1.725 -1.668 -2.165 1.00 0.00 C ATOM 1359 SD MET A 90 1.629 -1.447 -0.396 1.00 0.00 S ATOM 1360 CE MET A 90 0.301 -0.258 -0.304 1.00 0.00 C ATOM 0 H MET A 90 4.195 -3.340 -3.162 1.00 0.00 H new ATOM 0 HA MET A 90 2.586 -1.455 -4.780 1.00 0.00 H new ATOM 0 HB2 MET A 90 3.822 -1.190 -1.994 1.00 0.00 H new ATOM 0 HB3 MET A 90 2.874 0.044 -2.799 1.00 0.00 H new ATOM 0 HG2 MET A 90 0.857 -1.215 -2.644 1.00 0.00 H new ATOM 0 HG3 MET A 90 1.705 -2.730 -2.409 1.00 0.00 H new ATOM 0 HE1 MET A 90 0.380 0.304 0.627 1.00 0.00 H new ATOM 0 HE2 MET A 90 0.367 0.428 -1.149 1.00 0.00 H new ATOM 0 HE3 MET A 90 -0.656 -0.779 -0.334 1.00 0.00 H new ATOM 1370 N GLN A 91 4.453 0.074 -5.394 1.00 0.00 N ATOM 1371 CA GLN A 91 5.568 0.812 -5.963 1.00 0.00 C ATOM 1372 C GLN A 91 5.432 2.304 -5.649 1.00 0.00 C ATOM 1373 O GLN A 91 4.480 2.949 -6.084 1.00 0.00 O ATOM 1374 CB GLN A 91 5.670 0.576 -7.471 1.00 0.00 C ATOM 1375 CG GLN A 91 6.350 -0.761 -7.772 1.00 0.00 C ATOM 1376 CD GLN A 91 6.385 -1.031 -9.278 1.00 0.00 C ATOM 1377 OE1 GLN A 91 6.492 -0.131 -10.094 1.00 0.00 O ATOM 1378 NE2 GLN A 91 6.288 -2.319 -9.598 1.00 0.00 N ATOM 0 H GLN A 91 3.532 0.410 -5.674 1.00 0.00 H new ATOM 0 HA GLN A 91 6.489 0.447 -5.509 1.00 0.00 H new ATOM 0 HB2 GLN A 91 4.674 0.589 -7.913 1.00 0.00 H new ATOM 0 HB3 GLN A 91 6.234 1.387 -7.932 1.00 0.00 H new ATOM 0 HG2 GLN A 91 7.366 -0.754 -7.376 1.00 0.00 H new ATOM 0 HG3 GLN A 91 5.817 -1.566 -7.267 1.00 0.00 H new ATOM 0 HE21 GLN A 91 6.201 -3.022 -8.864 1.00 0.00 H new ATOM 0 HE22 GLN A 91 6.301 -2.604 -10.577 1.00 0.00 H new ATOM 1387 N VAL A 92 6.399 2.808 -4.896 1.00 0.00 N ATOM 1388 CA VAL A 92 6.400 4.211 -4.520 1.00 0.00 C ATOM 1389 C VAL A 92 6.736 5.064 -5.745 1.00 0.00 C ATOM 1390 O VAL A 92 7.595 4.696 -6.545 1.00 0.00 O ATOM 1391 CB VAL A 92 7.361 4.439 -3.351 1.00 0.00 C ATOM 1392 CG1 VAL A 92 7.950 5.850 -3.393 1.00 0.00 C ATOM 1393 CG2 VAL A 92 6.669 4.173 -2.012 1.00 0.00 C ATOM 0 H VAL A 92 7.187 2.269 -4.536 1.00 0.00 H new ATOM 0 HA VAL A 92 5.411 4.514 -4.175 1.00 0.00 H new ATOM 0 HB VAL A 92 8.183 3.730 -3.450 1.00 0.00 H new ATOM 0 HG11 VAL A 92 8.629 5.986 -2.551 1.00 0.00 H new ATOM 0 HG12 VAL A 92 8.496 5.989 -4.326 1.00 0.00 H new ATOM 0 HG13 VAL A 92 7.145 6.582 -3.331 1.00 0.00 H new ATOM 0 HG21 VAL A 92 7.374 4.342 -1.198 1.00 0.00 H new ATOM 0 HG22 VAL A 92 5.819 4.846 -1.902 1.00 0.00 H new ATOM 0 HG23 VAL A 92 6.321 3.141 -1.981 1.00 0.00 H new ATOM 1403 N HIS A 93 6.040 6.186 -5.853 1.00 0.00 N ATOM 1404 CA HIS A 93 6.254 7.094 -6.968 1.00 0.00 C ATOM 1405 C HIS A 93 6.207 8.540 -6.468 1.00 0.00 C ATOM 1406 O HIS A 93 5.128 9.096 -6.268 1.00 0.00 O ATOM 1407 CB HIS A 93 5.252 6.821 -8.091 1.00 0.00 C ATOM 1408 CG HIS A 93 5.610 5.640 -8.960 1.00 0.00 C ATOM 1409 ND1 HIS A 93 6.665 5.660 -9.856 1.00 0.00 N ATOM 1410 CD2 HIS A 93 5.043 4.403 -9.060 1.00 0.00 C ATOM 1411 CE1 HIS A 93 6.720 4.484 -10.463 1.00 0.00 C ATOM 1412 NE2 HIS A 93 5.714 3.706 -9.969 1.00 0.00 N ATOM 0 H HIS A 93 5.328 6.487 -5.188 1.00 0.00 H new ATOM 0 HA HIS A 93 7.243 6.926 -7.395 1.00 0.00 H new ATOM 0 HB2 HIS A 93 4.268 6.652 -7.653 1.00 0.00 H new ATOM 0 HB3 HIS A 93 5.173 7.709 -8.718 1.00 0.00 H new ATOM 0 HD2 HIS A 93 4.192 4.051 -8.495 1.00 0.00 H new ATOM 0 HE1 HIS A 93 7.436 4.192 -11.217 1.00 0.00 H new ATOM 0 HE2 HIS A 93 5.511 2.747 -10.251 1.00 0.00 H new ATOM 1420 N GLU A 94 7.390 9.107 -6.282 1.00 0.00 N ATOM 1421 CA GLU A 94 7.496 10.477 -5.810 1.00 0.00 C ATOM 1422 C GLU A 94 6.578 11.391 -6.623 1.00 0.00 C ATOM 1423 O GLU A 94 6.330 11.140 -7.801 1.00 0.00 O ATOM 1424 CB GLU A 94 8.945 10.965 -5.867 1.00 0.00 C ATOM 1425 CG GLU A 94 9.460 11.320 -4.471 1.00 0.00 C ATOM 1426 CD GLU A 94 9.511 12.837 -4.275 1.00 0.00 C ATOM 1427 OE1 GLU A 94 8.661 13.517 -4.889 1.00 0.00 O ATOM 1428 OE2 GLU A 94 10.398 13.282 -3.515 1.00 0.00 O ATOM 0 H GLU A 94 8.283 8.643 -6.450 1.00 0.00 H new ATOM 0 HA GLU A 94 7.177 10.508 -4.768 1.00 0.00 H new ATOM 0 HB2 GLU A 94 9.576 10.192 -6.305 1.00 0.00 H new ATOM 0 HB3 GLU A 94 9.013 11.838 -6.516 1.00 0.00 H new ATOM 0 HG2 GLU A 94 8.813 10.874 -3.716 1.00 0.00 H new ATOM 0 HG3 GLU A 94 10.455 10.898 -4.328 1.00 0.00 H new ATOM 1435 N GLY A 95 6.097 12.433 -5.960 1.00 0.00 N ATOM 1436 CA GLY A 95 5.210 13.386 -6.606 1.00 0.00 C ATOM 1437 C GLY A 95 5.978 14.632 -7.054 1.00 0.00 C ATOM 1438 O GLY A 95 6.875 14.545 -7.891 1.00 0.00 O ATOM 0 H GLY A 95 6.305 12.638 -4.983 1.00 0.00 H new ATOM 0 HA2 GLY A 95 4.733 12.919 -7.468 1.00 0.00 H new ATOM 0 HA3 GLY A 95 4.414 13.672 -5.918 1.00 0.00 H new ATOM 1442 N SER A 96 5.597 15.762 -6.476 1.00 0.00 N ATOM 1443 CA SER A 96 6.238 17.024 -6.806 1.00 0.00 C ATOM 1444 C SER A 96 6.547 17.803 -5.526 1.00 0.00 C ATOM 1445 O SER A 96 7.710 18.058 -5.216 1.00 0.00 O ATOM 1446 CB SER A 96 5.360 17.861 -7.738 1.00 0.00 C ATOM 1447 OG SER A 96 5.567 17.528 -9.108 1.00 0.00 O ATOM 0 H SER A 96 4.853 15.830 -5.782 1.00 0.00 H new ATOM 0 HA SER A 96 7.171 16.808 -7.327 1.00 0.00 H new ATOM 0 HB2 SER A 96 4.311 17.708 -7.482 1.00 0.00 H new ATOM 0 HB3 SER A 96 5.575 18.919 -7.586 1.00 0.00 H new ATOM 0 HG SER A 96 4.987 18.083 -9.671 1.00 0.00 H new ATOM 1453 N GLY A 97 5.486 18.160 -4.817 1.00 0.00 N ATOM 1454 CA GLY A 97 5.629 18.905 -3.578 1.00 0.00 C ATOM 1455 C GLY A 97 6.343 20.237 -3.818 1.00 0.00 C ATOM 1456 O GLY A 97 7.550 20.265 -4.053 1.00 0.00 O ATOM 0 H GLY A 97 4.523 17.947 -5.077 1.00 0.00 H new ATOM 0 HA2 GLY A 97 4.646 19.088 -3.144 1.00 0.00 H new ATOM 0 HA3 GLY A 97 6.191 18.312 -2.856 1.00 0.00 H new ATOM 1460 N PRO A 98 5.545 21.336 -3.750 1.00 0.00 N ATOM 1461 CA PRO A 98 6.088 22.668 -3.958 1.00 0.00 C ATOM 1462 C PRO A 98 6.888 23.130 -2.739 1.00 0.00 C ATOM 1463 O PRO A 98 6.885 22.468 -1.702 1.00 0.00 O ATOM 1464 CB PRO A 98 4.879 23.545 -4.243 1.00 0.00 C ATOM 1465 CG PRO A 98 3.674 22.774 -3.728 1.00 0.00 C ATOM 1466 CD PRO A 98 4.112 21.341 -3.475 1.00 0.00 C ATOM 0 HA PRO A 98 6.797 22.709 -4.785 1.00 0.00 H new ATOM 0 HB2 PRO A 98 4.969 24.509 -3.742 1.00 0.00 H new ATOM 0 HB3 PRO A 98 4.786 23.748 -5.310 1.00 0.00 H new ATOM 0 HG2 PRO A 98 3.296 23.225 -2.811 1.00 0.00 H new ATOM 0 HG3 PRO A 98 2.863 22.803 -4.456 1.00 0.00 H new ATOM 0 HD2 PRO A 98 3.905 21.039 -2.448 1.00 0.00 H new ATOM 0 HD3 PRO A 98 3.582 20.645 -4.125 1.00 0.00 H new ATOM 1474 N SER A 99 7.555 24.264 -2.903 1.00 0.00 N ATOM 1475 CA SER A 99 8.358 24.822 -1.829 1.00 0.00 C ATOM 1476 C SER A 99 8.789 26.247 -2.184 1.00 0.00 C ATOM 1477 O SER A 99 9.429 26.467 -3.211 1.00 0.00 O ATOM 1478 CB SER A 99 9.584 23.951 -1.548 1.00 0.00 C ATOM 1479 OG SER A 99 9.579 23.437 -0.219 1.00 0.00 O ATOM 0 H SER A 99 7.555 24.811 -3.764 1.00 0.00 H new ATOM 0 HA SER A 99 7.750 24.848 -0.925 1.00 0.00 H new ATOM 0 HB2 SER A 99 9.611 23.123 -2.257 1.00 0.00 H new ATOM 0 HB3 SER A 99 10.489 24.537 -1.707 1.00 0.00 H new ATOM 0 HG SER A 99 10.376 22.885 -0.079 1.00 0.00 H new ATOM 1485 N SER A 100 8.421 27.176 -1.315 1.00 0.00 N ATOM 1486 CA SER A 100 8.761 28.573 -1.524 1.00 0.00 C ATOM 1487 C SER A 100 10.217 28.822 -1.125 1.00 0.00 C ATOM 1488 O SER A 100 10.712 28.231 -0.167 1.00 0.00 O ATOM 1489 CB SER A 100 7.829 29.492 -0.732 1.00 0.00 C ATOM 1490 OG SER A 100 8.037 29.379 0.673 1.00 0.00 O ATOM 0 H SER A 100 7.890 26.989 -0.464 1.00 0.00 H new ATOM 0 HA SER A 100 8.637 28.800 -2.583 1.00 0.00 H new ATOM 0 HB2 SER A 100 7.990 30.525 -1.041 1.00 0.00 H new ATOM 0 HB3 SER A 100 6.793 29.247 -0.966 1.00 0.00 H new ATOM 0 HG SER A 100 7.425 29.982 1.144 1.00 0.00 H new ATOM 1496 N GLY A 101 10.863 29.698 -1.881 1.00 0.00 N ATOM 1497 CA GLY A 101 12.252 30.033 -1.618 1.00 0.00 C ATOM 1498 C GLY A 101 12.707 31.208 -2.486 1.00 0.00 C ATOM 1499 O GLY A 101 13.813 31.196 -3.023 1.00 0.00 O ATOM 0 H GLY A 101 10.450 30.186 -2.676 1.00 0.00 H new ATOM 0 HA2 GLY A 101 12.376 30.285 -0.565 1.00 0.00 H new ATOM 0 HA3 GLY A 101 12.882 29.166 -1.814 1.00 0.00 H new TER 1503 GLY A 101