USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 798 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 20 GLN : amide:sc= -1.6! K(o=-1.6!,f=0.8) USER MOD Set 1.2: A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 39:sc= 0.691 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 GLN : amide:sc= -0.0145 X(o=-0.014,f=0) USER MOD Single : A 15 ASN : amide:sc= -0.0116 X(o=-0.012,f=0) USER MOD Single : A 18 THR OG1 : rot 170:sc= -0.209 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0115 USER MOD Single : A 38 LYS NZ :NH3+ -160:sc= -0.0686 (180deg=-0.306) USER MOD Single : A 41 GLN : amide:sc=-0.00221 X(o=-0.0022,f=0.37) USER MOD Single : A 45 GLN : amide:sc= -0.0279 X(o=-0.028,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HE2:sc= -3.52! C(o=-3.5!,f=-8.4!) USER MOD Single : A 54 SER OG : rot 180:sc= -0.375 USER MOD Single : A 57 GLN : amide:sc= -0.178 X(o=-0.18,f=-0.16) USER MOD Single : A 61 HIS : no HE2:sc= -7.05! C(o=-7.1!,f=-5.2!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.0109 X(o=-0.011,f=0) USER MOD Single : A 69 MET CE :methyl 145:sc= -6.86! (180deg=-9.63!) USER MOD Single : A 73 ASN : amide:sc= -0.296 X(o=-0.3,f=0.001) USER MOD Single : A 76 SER OG : rot 180:sc= -0.0333 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.048 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 MET CE :methyl 164:sc= 0 (180deg=-0.0329) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot -169:sc= 1.13 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 30:sc= 0.102 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.375 -8.874 -18.315 1.00 0.00 N ATOM 2 CA GLY A 1 14.120 -10.026 -17.836 1.00 0.00 C ATOM 3 C GLY A 1 13.245 -11.281 -17.827 1.00 0.00 C ATOM 4 O GLY A 1 13.471 -12.205 -18.608 1.00 0.00 O ATOM 0 H1 GLY A 1 13.991 -8.036 -18.311 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.042 -9.054 -19.283 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.558 -8.706 -17.693 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.991 -10.190 -18.471 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.492 -9.830 -16.830 1.00 0.00 H new ATOM 8 N SER A 2 12.265 -11.274 -16.936 1.00 0.00 N ATOM 9 CA SER A 2 11.355 -12.400 -16.816 1.00 0.00 C ATOM 10 C SER A 2 9.912 -11.930 -17.008 1.00 0.00 C ATOM 11 O SER A 2 9.267 -11.488 -16.058 1.00 0.00 O ATOM 12 CB SER A 2 11.511 -13.092 -15.460 1.00 0.00 C ATOM 13 OG SER A 2 11.270 -12.201 -14.375 1.00 0.00 O ATOM 0 H SER A 2 12.081 -10.506 -16.290 1.00 0.00 H new ATOM 0 HA SER A 2 11.602 -13.123 -17.594 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.819 -13.932 -15.400 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.518 -13.502 -15.376 1.00 0.00 H new ATOM 0 HG SER A 2 10.522 -11.608 -14.598 1.00 0.00 H new ATOM 19 N SER A 3 9.447 -12.042 -18.244 1.00 0.00 N ATOM 20 CA SER A 3 8.092 -11.634 -18.573 1.00 0.00 C ATOM 21 C SER A 3 7.086 -12.575 -17.909 1.00 0.00 C ATOM 22 O SER A 3 6.933 -13.722 -18.327 1.00 0.00 O ATOM 23 CB SER A 3 7.876 -11.610 -20.088 1.00 0.00 C ATOM 24 OG SER A 3 6.566 -11.170 -20.434 1.00 0.00 O ATOM 0 H SER A 3 9.985 -12.409 -19.029 1.00 0.00 H new ATOM 0 HA SER A 3 7.939 -10.623 -18.195 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.613 -10.952 -20.549 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.042 -12.608 -20.494 1.00 0.00 H new ATOM 0 HG SER A 3 6.469 -11.167 -21.409 1.00 0.00 H new ATOM 30 N GLY A 4 6.425 -12.056 -16.884 1.00 0.00 N ATOM 31 CA GLY A 4 5.437 -12.836 -16.158 1.00 0.00 C ATOM 32 C GLY A 4 6.036 -13.423 -14.878 1.00 0.00 C ATOM 33 O GLY A 4 6.695 -12.717 -14.117 1.00 0.00 O ATOM 0 H GLY A 4 6.555 -11.105 -16.539 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.583 -12.206 -15.909 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.066 -13.641 -16.793 1.00 0.00 H new ATOM 37 N SER A 5 5.784 -14.708 -14.680 1.00 0.00 N ATOM 38 CA SER A 5 6.289 -15.397 -13.505 1.00 0.00 C ATOM 39 C SER A 5 5.659 -14.809 -12.241 1.00 0.00 C ATOM 40 O SER A 5 6.133 -13.802 -11.718 1.00 0.00 O ATOM 41 CB SER A 5 7.815 -15.309 -13.428 1.00 0.00 C ATOM 42 OG SER A 5 8.439 -15.815 -14.604 1.00 0.00 O ATOM 0 H SER A 5 5.237 -15.290 -15.314 1.00 0.00 H new ATOM 0 HA SER A 5 6.016 -16.449 -13.583 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.111 -14.271 -13.279 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.167 -15.869 -12.561 1.00 0.00 H new ATOM 0 HG SER A 5 9.412 -15.740 -14.516 1.00 0.00 H new ATOM 48 N SER A 6 4.599 -15.462 -11.787 1.00 0.00 N ATOM 49 CA SER A 6 3.899 -15.016 -10.595 1.00 0.00 C ATOM 50 C SER A 6 3.304 -16.217 -9.857 1.00 0.00 C ATOM 51 O SER A 6 3.145 -17.290 -10.437 1.00 0.00 O ATOM 52 CB SER A 6 2.800 -14.011 -10.945 1.00 0.00 C ATOM 53 OG SER A 6 2.915 -12.809 -10.188 1.00 0.00 O ATOM 0 H SER A 6 4.208 -16.297 -12.224 1.00 0.00 H new ATOM 0 HA SER A 6 4.617 -14.517 -9.944 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.849 -13.776 -12.008 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.825 -14.462 -10.763 1.00 0.00 H new ATOM 0 HG SER A 6 2.197 -12.193 -10.442 1.00 0.00 H new ATOM 59 N GLY A 7 2.991 -15.996 -8.589 1.00 0.00 N ATOM 60 CA GLY A 7 2.417 -17.047 -7.766 1.00 0.00 C ATOM 61 C GLY A 7 1.262 -17.742 -8.490 1.00 0.00 C ATOM 62 O GLY A 7 0.828 -17.291 -9.549 1.00 0.00 O ATOM 0 H GLY A 7 3.124 -15.105 -8.111 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.186 -17.778 -7.515 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.060 -16.624 -6.827 1.00 0.00 H new ATOM 66 N ASP A 8 0.797 -18.827 -7.890 1.00 0.00 N ATOM 67 CA ASP A 8 -0.300 -19.588 -8.464 1.00 0.00 C ATOM 68 C ASP A 8 -0.771 -20.636 -7.454 1.00 0.00 C ATOM 69 O ASP A 8 0.037 -21.388 -6.911 1.00 0.00 O ATOM 70 CB ASP A 8 0.143 -20.319 -9.733 1.00 0.00 C ATOM 71 CG ASP A 8 1.340 -21.255 -9.556 1.00 0.00 C ATOM 72 OD1 ASP A 8 2.472 -20.727 -9.511 1.00 0.00 O ATOM 73 OD2 ASP A 8 1.096 -22.478 -9.470 1.00 0.00 O ATOM 0 H ASP A 8 1.160 -19.198 -7.012 1.00 0.00 H new ATOM 0 HA ASP A 8 -1.102 -18.892 -8.710 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -0.699 -20.898 -10.113 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.390 -19.578 -10.494 1.00 0.00 H new ATOM 78 N GLN A 9 -2.078 -20.654 -7.234 1.00 0.00 N ATOM 79 CA GLN A 9 -2.667 -21.597 -6.299 1.00 0.00 C ATOM 80 C GLN A 9 -2.055 -21.418 -4.908 1.00 0.00 C ATOM 81 O GLN A 9 -0.983 -20.832 -4.768 1.00 0.00 O ATOM 82 CB GLN A 9 -2.496 -23.036 -6.791 1.00 0.00 C ATOM 83 CG GLN A 9 -3.321 -23.284 -8.056 1.00 0.00 C ATOM 84 CD GLN A 9 -2.988 -24.645 -8.670 1.00 0.00 C ATOM 85 OE1 GLN A 9 -3.130 -25.686 -8.050 1.00 0.00 O ATOM 86 NE2 GLN A 9 -2.536 -24.579 -9.919 1.00 0.00 N ATOM 0 H GLN A 9 -2.745 -20.030 -7.688 1.00 0.00 H new ATOM 0 HA GLN A 9 -3.736 -21.394 -6.234 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -1.443 -23.232 -6.995 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -2.804 -23.731 -6.009 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -4.383 -23.239 -7.816 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -3.125 -22.496 -8.783 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -2.441 -23.674 -10.380 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -2.284 -25.433 -10.416 1.00 0.00 H new ATOM 95 N GLU A 10 -2.764 -21.933 -3.914 1.00 0.00 N ATOM 96 CA GLU A 10 -2.305 -21.837 -2.539 1.00 0.00 C ATOM 97 C GLU A 10 -2.361 -23.209 -1.864 1.00 0.00 C ATOM 98 O GLU A 10 -3.442 -23.742 -1.621 1.00 0.00 O ATOM 99 CB GLU A 10 -3.125 -20.808 -1.758 1.00 0.00 C ATOM 100 CG GLU A 10 -3.396 -19.565 -2.607 1.00 0.00 C ATOM 101 CD GLU A 10 -3.247 -18.289 -1.775 1.00 0.00 C ATOM 102 OE1 GLU A 10 -2.103 -18.020 -1.349 1.00 0.00 O ATOM 103 OE2 GLU A 10 -4.280 -17.612 -1.583 1.00 0.00 O ATOM 0 H GLU A 10 -3.653 -22.418 -4.034 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.269 -21.499 -2.545 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.070 -21.252 -1.445 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.591 -20.524 -0.851 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.704 -19.537 -3.449 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.402 -19.617 -3.023 1.00 0.00 H new ATOM 110 N VAL A 11 -1.181 -23.741 -1.579 1.00 0.00 N ATOM 111 CA VAL A 11 -1.082 -25.041 -0.937 1.00 0.00 C ATOM 112 C VAL A 11 -0.038 -24.974 0.180 1.00 0.00 C ATOM 113 O VAL A 11 -0.347 -25.240 1.340 1.00 0.00 O ATOM 114 CB VAL A 11 -0.775 -26.118 -1.979 1.00 0.00 C ATOM 115 CG1 VAL A 11 -0.425 -27.447 -1.307 1.00 0.00 C ATOM 116 CG2 VAL A 11 -1.942 -26.286 -2.954 1.00 0.00 C ATOM 0 H VAL A 11 -0.286 -23.296 -1.781 1.00 0.00 H new ATOM 0 HA VAL A 11 -2.032 -25.314 -0.478 1.00 0.00 H new ATOM 0 HB VAL A 11 0.094 -25.793 -2.551 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.211 -28.195 -2.070 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.452 -27.314 -0.673 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.266 -27.780 -0.698 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.698 -27.057 -3.684 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -2.837 -26.577 -2.404 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.124 -25.343 -3.470 1.00 0.00 H new ATOM 126 N ARG A 12 1.178 -24.619 -0.210 1.00 0.00 N ATOM 127 CA ARG A 12 2.269 -24.514 0.743 1.00 0.00 C ATOM 128 C ARG A 12 2.154 -23.214 1.542 1.00 0.00 C ATOM 129 O ARG A 12 1.802 -22.172 0.991 1.00 0.00 O ATOM 130 CB ARG A 12 3.625 -24.551 0.035 1.00 0.00 C ATOM 131 CG ARG A 12 3.900 -25.937 -0.551 1.00 0.00 C ATOM 132 CD ARG A 12 4.479 -26.875 0.511 1.00 0.00 C ATOM 133 NE ARG A 12 5.957 -26.796 0.505 1.00 0.00 N ATOM 134 CZ ARG A 12 6.735 -27.356 -0.431 1.00 0.00 C ATOM 135 NH1 ARG A 12 6.181 -28.039 -1.442 1.00 0.00 N ATOM 136 NH2 ARG A 12 8.067 -27.233 -0.356 1.00 0.00 N ATOM 0 H ARG A 12 1.431 -24.400 -1.174 1.00 0.00 H new ATOM 0 HA ARG A 12 2.201 -25.367 1.419 1.00 0.00 H new ATOM 0 HB2 ARG A 12 3.645 -23.806 -0.760 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.414 -24.287 0.739 1.00 0.00 H new ATOM 0 HG2 ARG A 12 2.976 -26.358 -0.949 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.597 -25.852 -1.385 1.00 0.00 H new ATOM 0 HD2 ARG A 12 4.096 -26.604 1.495 1.00 0.00 H new ATOM 0 HD3 ARG A 12 4.161 -27.899 0.316 1.00 0.00 H new ATOM 0 HE ARG A 12 6.412 -26.283 1.261 1.00 0.00 H new ATOM 0 HH11 ARG A 12 5.167 -28.133 -1.499 1.00 0.00 H new ATOM 0 HH12 ARG A 12 6.773 -28.465 -2.155 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.489 -26.713 0.414 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.659 -27.659 -1.069 1.00 0.00 H new ATOM 150 N LEU A 13 2.456 -23.318 2.827 1.00 0.00 N ATOM 151 CA LEU A 13 2.391 -22.164 3.708 1.00 0.00 C ATOM 152 C LEU A 13 3.642 -21.307 3.511 1.00 0.00 C ATOM 153 O LEU A 13 4.712 -21.827 3.198 1.00 0.00 O ATOM 154 CB LEU A 13 2.169 -22.606 5.155 1.00 0.00 C ATOM 155 CG LEU A 13 0.713 -22.805 5.580 1.00 0.00 C ATOM 156 CD1 LEU A 13 -0.081 -21.505 5.443 1.00 0.00 C ATOM 157 CD2 LEU A 13 0.067 -23.955 4.804 1.00 0.00 C ATOM 0 H LEU A 13 2.747 -24.184 3.280 1.00 0.00 H new ATOM 0 HA LEU A 13 1.534 -21.540 3.456 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.704 -23.542 5.314 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.621 -21.864 5.814 1.00 0.00 H new ATOM 0 HG LEU A 13 0.700 -23.081 6.634 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.113 -21.674 5.752 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.365 -20.738 6.075 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.063 -21.175 4.404 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.968 -24.075 5.126 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.092 -23.733 3.737 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.616 -24.877 4.996 1.00 0.00 H new ATOM 169 N GLU A 14 3.467 -20.008 3.704 1.00 0.00 N ATOM 170 CA GLU A 14 4.570 -19.073 3.552 1.00 0.00 C ATOM 171 C GLU A 14 4.666 -18.163 4.777 1.00 0.00 C ATOM 172 O GLU A 14 3.748 -18.115 5.594 1.00 0.00 O ATOM 173 CB GLU A 14 4.420 -18.253 2.269 1.00 0.00 C ATOM 174 CG GLU A 14 5.788 -17.901 1.680 1.00 0.00 C ATOM 175 CD GLU A 14 5.839 -18.219 0.184 1.00 0.00 C ATOM 176 OE1 GLU A 14 5.688 -19.415 -0.147 1.00 0.00 O ATOM 177 OE2 GLU A 14 6.027 -17.260 -0.594 1.00 0.00 O ATOM 0 H GLU A 14 2.578 -19.580 3.964 1.00 0.00 H new ATOM 0 HA GLU A 14 5.496 -19.642 3.474 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.840 -18.817 1.539 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.865 -17.339 2.480 1.00 0.00 H new ATOM 0 HG2 GLU A 14 5.994 -16.842 1.838 1.00 0.00 H new ATOM 0 HG3 GLU A 14 6.567 -18.459 2.201 1.00 0.00 H new ATOM 184 N ASN A 15 5.787 -17.462 4.867 1.00 0.00 N ATOM 185 CA ASN A 15 6.016 -16.555 5.979 1.00 0.00 C ATOM 186 C ASN A 15 5.573 -15.146 5.582 1.00 0.00 C ATOM 187 O ASN A 15 5.571 -14.802 4.401 1.00 0.00 O ATOM 188 CB ASN A 15 7.500 -16.498 6.347 1.00 0.00 C ATOM 189 CG ASN A 15 7.817 -17.459 7.496 1.00 0.00 C ATOM 190 OD1 ASN A 15 7.820 -18.669 7.344 1.00 0.00 O ATOM 191 ND2 ASN A 15 8.083 -16.853 8.649 1.00 0.00 N ATOM 0 H ASN A 15 6.547 -17.504 4.188 1.00 0.00 H new ATOM 0 HA ASN A 15 5.446 -16.919 6.834 1.00 0.00 H new ATOM 0 HB2 ASN A 15 8.104 -16.754 5.477 1.00 0.00 H new ATOM 0 HB3 ASN A 15 7.769 -15.481 6.634 1.00 0.00 H new ATOM 0 HD21 ASN A 15 8.307 -17.406 9.476 1.00 0.00 H new ATOM 0 HD22 ASN A 15 8.063 -15.835 8.707 1.00 0.00 H new ATOM 198 N ARG A 16 5.209 -14.368 6.591 1.00 0.00 N ATOM 199 CA ARG A 16 4.765 -13.004 6.362 1.00 0.00 C ATOM 200 C ARG A 16 5.682 -12.309 5.353 1.00 0.00 C ATOM 201 O ARG A 16 6.902 -12.323 5.506 1.00 0.00 O ATOM 202 CB ARG A 16 4.752 -12.202 7.665 1.00 0.00 C ATOM 203 CG ARG A 16 3.489 -12.496 8.477 1.00 0.00 C ATOM 204 CD ARG A 16 3.658 -13.766 9.313 1.00 0.00 C ATOM 205 NE ARG A 16 3.048 -13.578 10.648 1.00 0.00 N ATOM 206 CZ ARG A 16 1.737 -13.701 10.900 1.00 0.00 C ATOM 207 NH1 ARG A 16 0.891 -14.012 9.908 1.00 0.00 N ATOM 208 NH2 ARG A 16 1.273 -13.512 12.142 1.00 0.00 N ATOM 0 H ARG A 16 5.213 -14.657 7.569 1.00 0.00 H new ATOM 0 HA ARG A 16 3.750 -13.048 5.966 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.634 -12.448 8.256 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.805 -11.137 7.441 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.268 -11.652 9.131 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.638 -12.609 7.805 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.190 -14.610 8.806 1.00 0.00 H new ATOM 0 HD3 ARG A 16 4.717 -14.004 9.418 1.00 0.00 H new ATOM 0 HE ARG A 16 3.664 -13.340 11.425 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.245 -14.155 8.962 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -0.107 -14.106 10.099 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.917 -13.274 12.896 1.00 0.00 H new ATOM 0 HH22 ARG A 16 0.276 -13.606 12.334 1.00 0.00 H new ATOM 222 N ILE A 17 5.059 -11.718 4.344 1.00 0.00 N ATOM 223 CA ILE A 17 5.805 -11.020 3.311 1.00 0.00 C ATOM 224 C ILE A 17 5.735 -9.513 3.567 1.00 0.00 C ATOM 225 O ILE A 17 4.763 -9.022 4.139 1.00 0.00 O ATOM 226 CB ILE A 17 5.309 -11.430 1.922 1.00 0.00 C ATOM 227 CG1 ILE A 17 3.883 -10.931 1.679 1.00 0.00 C ATOM 228 CG2 ILE A 17 5.428 -12.943 1.723 1.00 0.00 C ATOM 229 CD1 ILE A 17 3.877 -9.444 1.320 1.00 0.00 C ATOM 0 H ILE A 17 4.047 -11.708 4.220 1.00 0.00 H new ATOM 0 HA ILE A 17 6.857 -11.302 3.346 1.00 0.00 H new ATOM 0 HB ILE A 17 5.947 -10.955 1.177 1.00 0.00 H new ATOM 0 HG12 ILE A 17 3.425 -11.505 0.874 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.279 -11.096 2.571 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.069 -13.209 0.729 1.00 0.00 H new ATOM 0 HG22 ILE A 17 6.471 -13.242 1.824 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.828 -13.457 2.474 1.00 0.00 H new ATOM 0 HD11 ILE A 17 2.852 -9.114 1.152 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.313 -8.871 2.138 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.462 -9.286 0.414 1.00 0.00 H new ATOM 241 N THR A 18 6.779 -8.822 3.133 1.00 0.00 N ATOM 242 CA THR A 18 6.848 -7.382 3.309 1.00 0.00 C ATOM 243 C THR A 18 7.282 -6.706 2.007 1.00 0.00 C ATOM 244 O THR A 18 7.889 -7.341 1.146 1.00 0.00 O ATOM 245 CB THR A 18 7.784 -7.093 4.484 1.00 0.00 C ATOM 246 OG1 THR A 18 7.314 -7.950 5.521 1.00 0.00 O ATOM 247 CG2 THR A 18 7.597 -5.684 5.050 1.00 0.00 C ATOM 0 H THR A 18 7.584 -9.233 2.660 1.00 0.00 H new ATOM 0 HA THR A 18 5.869 -6.965 3.545 1.00 0.00 H new ATOM 0 HB THR A 18 8.818 -7.220 4.164 1.00 0.00 H new ATOM 0 HG1 THR A 18 7.955 -7.949 6.262 1.00 0.00 H new ATOM 0 HG21 THR A 18 8.285 -5.532 5.881 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.800 -4.949 4.271 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.572 -5.566 5.401 1.00 0.00 H new ATOM 255 N PHE A 19 6.953 -5.426 1.903 1.00 0.00 N ATOM 256 CA PHE A 19 7.301 -4.658 0.721 1.00 0.00 C ATOM 257 C PHE A 19 7.458 -3.174 1.058 1.00 0.00 C ATOM 258 O PHE A 19 7.051 -2.731 2.131 1.00 0.00 O ATOM 259 CB PHE A 19 6.150 -4.823 -0.275 1.00 0.00 C ATOM 260 CG PHE A 19 4.772 -4.508 0.310 1.00 0.00 C ATOM 261 CD1 PHE A 19 4.057 -5.484 0.930 1.00 0.00 C ATOM 262 CD2 PHE A 19 4.261 -3.251 0.209 1.00 0.00 C ATOM 263 CE1 PHE A 19 2.778 -5.192 1.473 1.00 0.00 C ATOM 264 CE2 PHE A 19 2.982 -2.959 0.751 1.00 0.00 C ATOM 265 CZ PHE A 19 2.267 -3.936 1.372 1.00 0.00 C ATOM 0 H PHE A 19 6.449 -4.902 2.619 1.00 0.00 H new ATOM 0 HA PHE A 19 8.247 -5.013 0.312 1.00 0.00 H new ATOM 0 HB2 PHE A 19 6.328 -4.172 -1.131 1.00 0.00 H new ATOM 0 HB3 PHE A 19 6.150 -5.847 -0.648 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.462 -6.482 1.010 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.829 -2.475 -0.284 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.211 -5.968 1.966 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.576 -1.961 0.670 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.294 -3.714 1.785 1.00 0.00 H new ATOM 275 N GLN A 20 8.049 -2.446 0.122 1.00 0.00 N ATOM 276 CA GLN A 20 8.266 -1.021 0.307 1.00 0.00 C ATOM 277 C GLN A 20 7.213 -0.220 -0.462 1.00 0.00 C ATOM 278 O GLN A 20 6.668 -0.698 -1.456 1.00 0.00 O ATOM 279 CB GLN A 20 9.679 -0.621 -0.121 1.00 0.00 C ATOM 280 CG GLN A 20 10.729 -1.253 0.795 1.00 0.00 C ATOM 281 CD GLN A 20 12.045 -1.478 0.048 1.00 0.00 C ATOM 282 OE1 GLN A 20 12.679 -2.515 0.153 1.00 0.00 O ATOM 283 NE2 GLN A 20 12.419 -0.451 -0.710 1.00 0.00 N ATOM 0 H GLN A 20 8.384 -2.816 -0.767 1.00 0.00 H new ATOM 0 HA GLN A 20 8.165 -0.793 1.368 1.00 0.00 H new ATOM 0 HB2 GLN A 20 9.853 -0.934 -1.150 1.00 0.00 H new ATOM 0 HB3 GLN A 20 9.776 0.464 -0.097 1.00 0.00 H new ATOM 0 HG2 GLN A 20 10.901 -0.607 1.656 1.00 0.00 H new ATOM 0 HG3 GLN A 20 10.357 -2.203 1.178 1.00 0.00 H new ATOM 0 HE21 GLN A 20 11.841 0.388 -0.753 1.00 0.00 H new ATOM 0 HE22 GLN A 20 13.284 -0.503 -1.249 1.00 0.00 H new ATOM 292 N LEU A 21 6.958 0.984 0.027 1.00 0.00 N ATOM 293 CA LEU A 21 5.981 1.856 -0.602 1.00 0.00 C ATOM 294 C LEU A 21 6.611 3.228 -0.849 1.00 0.00 C ATOM 295 O LEU A 21 7.281 3.774 0.026 1.00 0.00 O ATOM 296 CB LEU A 21 4.698 1.910 0.230 1.00 0.00 C ATOM 297 CG LEU A 21 3.405 1.551 -0.507 1.00 0.00 C ATOM 298 CD1 LEU A 21 2.181 2.078 0.245 1.00 0.00 C ATOM 299 CD2 LEU A 21 3.444 2.044 -1.955 1.00 0.00 C ATOM 0 H LEU A 21 7.411 1.377 0.852 1.00 0.00 H new ATOM 0 HA LEU A 21 5.688 1.460 -1.574 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.809 1.234 1.078 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.594 2.916 0.636 1.00 0.00 H new ATOM 0 HG LEU A 21 3.320 0.465 -0.539 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.276 1.809 -0.300 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.149 1.638 1.242 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.245 3.163 0.330 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.514 1.776 -2.456 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.564 3.127 -1.967 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.282 1.580 -2.475 1.00 0.00 H new ATOM 311 N GLU A 22 6.374 3.746 -2.046 1.00 0.00 N ATOM 312 CA GLU A 22 6.911 5.043 -2.419 1.00 0.00 C ATOM 313 C GLU A 22 5.852 6.131 -2.225 1.00 0.00 C ATOM 314 O GLU A 22 4.898 6.219 -2.996 1.00 0.00 O ATOM 315 CB GLU A 22 7.425 5.030 -3.860 1.00 0.00 C ATOM 316 CG GLU A 22 8.789 5.716 -3.962 1.00 0.00 C ATOM 317 CD GLU A 22 9.596 5.159 -5.136 1.00 0.00 C ATOM 318 OE1 GLU A 22 9.435 3.950 -5.413 1.00 0.00 O ATOM 319 OE2 GLU A 22 10.356 5.954 -5.731 1.00 0.00 O ATOM 0 H GLU A 22 5.817 3.291 -2.769 1.00 0.00 H new ATOM 0 HA GLU A 22 7.757 5.265 -1.768 1.00 0.00 H new ATOM 0 HB2 GLU A 22 7.504 4.002 -4.212 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.710 5.536 -4.509 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.651 6.790 -4.088 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.343 5.572 -3.034 1.00 0.00 H new ATOM 326 N LEU A 23 6.057 6.933 -1.189 1.00 0.00 N ATOM 327 CA LEU A 23 5.132 8.011 -0.884 1.00 0.00 C ATOM 328 C LEU A 23 5.316 9.138 -1.902 1.00 0.00 C ATOM 329 O LEU A 23 5.857 10.193 -1.574 1.00 0.00 O ATOM 330 CB LEU A 23 5.297 8.462 0.569 1.00 0.00 C ATOM 331 CG LEU A 23 4.516 7.660 1.613 1.00 0.00 C ATOM 332 CD1 LEU A 23 5.234 7.672 2.963 1.00 0.00 C ATOM 333 CD2 LEU A 23 3.075 8.163 1.725 1.00 0.00 C ATOM 0 H LEU A 23 6.850 6.857 -0.551 1.00 0.00 H new ATOM 0 HA LEU A 23 4.102 7.666 -0.972 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.356 8.419 0.824 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.994 9.507 0.641 1.00 0.00 H new ATOM 0 HG LEU A 23 4.470 6.622 1.283 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.658 7.095 3.687 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.224 7.230 2.852 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.332 8.699 3.314 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.542 7.576 2.473 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.078 9.212 2.021 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.577 8.059 0.761 1.00 0.00 H new ATOM 345 N VAL A 24 4.854 8.877 -3.116 1.00 0.00 N ATOM 346 CA VAL A 24 4.961 9.856 -4.184 1.00 0.00 C ATOM 347 C VAL A 24 4.610 11.241 -3.636 1.00 0.00 C ATOM 348 O VAL A 24 3.522 11.444 -3.101 1.00 0.00 O ATOM 349 CB VAL A 24 4.081 9.440 -5.365 1.00 0.00 C ATOM 350 CG1 VAL A 24 4.171 10.461 -6.501 1.00 0.00 C ATOM 351 CG2 VAL A 24 4.450 8.039 -5.856 1.00 0.00 C ATOM 0 H VAL A 24 4.405 8.001 -3.384 1.00 0.00 H new ATOM 0 HA VAL A 24 5.984 9.903 -4.559 1.00 0.00 H new ATOM 0 HB VAL A 24 3.047 9.413 -5.020 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.537 10.142 -7.328 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.837 11.435 -6.142 1.00 0.00 H new ATOM 0 HG13 VAL A 24 5.203 10.535 -6.843 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.810 7.767 -6.695 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.492 8.028 -6.176 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.311 7.322 -5.047 1.00 0.00 H new ATOM 361 N GLY A 25 5.554 12.159 -3.790 1.00 0.00 N ATOM 362 CA GLY A 25 5.358 13.519 -3.317 1.00 0.00 C ATOM 363 C GLY A 25 6.160 13.776 -2.039 1.00 0.00 C ATOM 364 O GLY A 25 5.935 14.771 -1.351 1.00 0.00 O ATOM 0 H GLY A 25 6.456 11.988 -4.235 1.00 0.00 H new ATOM 0 HA2 GLY A 25 5.663 14.224 -4.090 1.00 0.00 H new ATOM 0 HA3 GLY A 25 4.299 13.693 -3.127 1.00 0.00 H new ATOM 368 N LEU A 26 7.078 12.863 -1.761 1.00 0.00 N ATOM 369 CA LEU A 26 7.914 12.978 -0.579 1.00 0.00 C ATOM 370 C LEU A 26 9.272 12.328 -0.853 1.00 0.00 C ATOM 371 O LEU A 26 9.582 11.988 -1.994 1.00 0.00 O ATOM 372 CB LEU A 26 7.195 12.406 0.644 1.00 0.00 C ATOM 373 CG LEU A 26 6.424 13.413 1.501 1.00 0.00 C ATOM 374 CD1 LEU A 26 4.961 12.993 1.657 1.00 0.00 C ATOM 375 CD2 LEU A 26 7.108 13.620 2.853 1.00 0.00 C ATOM 0 H LEU A 26 7.261 12.040 -2.334 1.00 0.00 H new ATOM 0 HA LEU A 26 8.103 14.026 -0.348 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.499 11.639 0.305 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.932 11.911 1.276 1.00 0.00 H new ATOM 0 HG LEU A 26 6.430 14.374 0.987 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.436 13.725 2.270 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.491 12.938 0.675 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.912 12.016 2.137 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.540 14.340 3.442 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.154 12.671 3.387 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.118 13.997 2.696 1.00 0.00 H new ATOM 387 N GLU A 27 10.045 12.174 0.212 1.00 0.00 N ATOM 388 CA GLU A 27 11.362 11.570 0.099 1.00 0.00 C ATOM 389 C GLU A 27 11.557 10.517 1.192 1.00 0.00 C ATOM 390 O GLU A 27 12.232 10.769 2.189 1.00 0.00 O ATOM 391 CB GLU A 27 12.460 12.634 0.161 1.00 0.00 C ATOM 392 CG GLU A 27 12.333 13.480 1.430 1.00 0.00 C ATOM 393 CD GLU A 27 12.959 14.862 1.232 1.00 0.00 C ATOM 394 OE1 GLU A 27 12.308 15.689 0.558 1.00 0.00 O ATOM 395 OE2 GLU A 27 14.075 15.060 1.759 1.00 0.00 O ATOM 0 H GLU A 27 9.785 12.457 1.157 1.00 0.00 H new ATOM 0 HA GLU A 27 11.433 11.078 -0.871 1.00 0.00 H new ATOM 0 HB2 GLU A 27 13.438 12.154 0.136 1.00 0.00 H new ATOM 0 HB3 GLU A 27 12.398 13.277 -0.717 1.00 0.00 H new ATOM 0 HG2 GLU A 27 11.281 13.588 1.696 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.821 12.971 2.261 1.00 0.00 H new ATOM 402 N ARG A 28 10.955 9.359 0.967 1.00 0.00 N ATOM 403 CA ARG A 28 11.054 8.266 1.919 1.00 0.00 C ATOM 404 C ARG A 28 10.557 6.964 1.287 1.00 0.00 C ATOM 405 O ARG A 28 10.099 6.959 0.146 1.00 0.00 O ATOM 406 CB ARG A 28 10.238 8.558 3.180 1.00 0.00 C ATOM 407 CG ARG A 28 8.737 8.465 2.895 1.00 0.00 C ATOM 408 CD ARG A 28 8.242 9.708 2.153 1.00 0.00 C ATOM 409 NE ARG A 28 6.936 10.138 2.701 1.00 0.00 N ATOM 410 CZ ARG A 28 6.750 10.549 3.962 1.00 0.00 C ATOM 411 NH1 ARG A 28 7.783 10.590 4.814 1.00 0.00 N ATOM 412 NH2 ARG A 28 5.529 10.921 4.372 1.00 0.00 N ATOM 0 H ARG A 28 10.396 9.154 0.139 1.00 0.00 H new ATOM 0 HA ARG A 28 12.103 8.161 2.196 1.00 0.00 H new ATOM 0 HB2 ARG A 28 10.508 7.850 3.964 1.00 0.00 H new ATOM 0 HB3 ARG A 28 10.480 9.553 3.552 1.00 0.00 H new ATOM 0 HG2 ARG A 28 8.531 7.575 2.300 1.00 0.00 H new ATOM 0 HG3 ARG A 28 8.191 8.355 3.832 1.00 0.00 H new ATOM 0 HD2 ARG A 28 8.970 10.514 2.251 1.00 0.00 H new ATOM 0 HD3 ARG A 28 8.146 9.492 1.089 1.00 0.00 H new ATOM 0 HE ARG A 28 6.127 10.120 2.080 1.00 0.00 H new ATOM 0 HH11 ARG A 28 8.712 10.308 4.503 1.00 0.00 H new ATOM 0 HH12 ARG A 28 7.640 10.903 5.774 1.00 0.00 H new ATOM 0 HH21 ARG A 28 4.742 10.891 3.724 1.00 0.00 H new ATOM 0 HH22 ARG A 28 5.387 11.234 5.332 1.00 0.00 H new ATOM 426 N VAL A 29 10.663 5.891 2.058 1.00 0.00 N ATOM 427 CA VAL A 29 10.229 4.587 1.588 1.00 0.00 C ATOM 428 C VAL A 29 9.635 3.800 2.758 1.00 0.00 C ATOM 429 O VAL A 29 10.356 3.106 3.474 1.00 0.00 O ATOM 430 CB VAL A 29 11.393 3.862 0.909 1.00 0.00 C ATOM 431 CG1 VAL A 29 10.991 2.444 0.499 1.00 0.00 C ATOM 432 CG2 VAL A 29 11.907 4.655 -0.293 1.00 0.00 C ATOM 0 H VAL A 29 11.043 5.899 3.005 1.00 0.00 H new ATOM 0 HA VAL A 29 9.446 4.692 0.837 1.00 0.00 H new ATOM 0 HB VAL A 29 12.206 3.784 1.631 1.00 0.00 H new ATOM 0 HG11 VAL A 29 11.836 1.951 0.019 1.00 0.00 H new ATOM 0 HG12 VAL A 29 10.696 1.879 1.383 1.00 0.00 H new ATOM 0 HG13 VAL A 29 10.154 2.490 -0.198 1.00 0.00 H new ATOM 0 HG21 VAL A 29 12.734 4.117 -0.757 1.00 0.00 H new ATOM 0 HG22 VAL A 29 11.103 4.779 -1.018 1.00 0.00 H new ATOM 0 HG23 VAL A 29 12.251 5.635 0.038 1.00 0.00 H new ATOM 442 N VAL A 30 8.327 3.933 2.916 1.00 0.00 N ATOM 443 CA VAL A 30 7.628 3.243 3.986 1.00 0.00 C ATOM 444 C VAL A 30 7.578 1.746 3.675 1.00 0.00 C ATOM 445 O VAL A 30 7.562 1.351 2.511 1.00 0.00 O ATOM 446 CB VAL A 30 6.241 3.859 4.188 1.00 0.00 C ATOM 447 CG1 VAL A 30 6.345 5.251 4.813 1.00 0.00 C ATOM 448 CG2 VAL A 30 5.465 3.906 2.870 1.00 0.00 C ATOM 0 H VAL A 30 7.732 4.509 2.320 1.00 0.00 H new ATOM 0 HA VAL A 30 8.162 3.361 4.929 1.00 0.00 H new ATOM 0 HB VAL A 30 5.689 3.222 4.879 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.346 5.666 4.946 1.00 0.00 H new ATOM 0 HG12 VAL A 30 6.839 5.179 5.782 1.00 0.00 H new ATOM 0 HG13 VAL A 30 6.924 5.902 4.158 1.00 0.00 H new ATOM 0 HG21 VAL A 30 4.483 4.348 3.041 1.00 0.00 H new ATOM 0 HG22 VAL A 30 6.013 4.509 2.146 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.345 2.894 2.482 1.00 0.00 H new ATOM 458 N ARG A 31 7.554 0.954 4.737 1.00 0.00 N ATOM 459 CA ARG A 31 7.506 -0.491 4.592 1.00 0.00 C ATOM 460 C ARG A 31 6.178 -1.034 5.124 1.00 0.00 C ATOM 461 O ARG A 31 5.586 -0.455 6.033 1.00 0.00 O ATOM 462 CB ARG A 31 8.660 -1.158 5.344 1.00 0.00 C ATOM 463 CG ARG A 31 8.945 -2.553 4.784 1.00 0.00 C ATOM 464 CD ARG A 31 9.731 -2.469 3.474 1.00 0.00 C ATOM 465 NE ARG A 31 11.047 -1.836 3.714 1.00 0.00 N ATOM 466 CZ ARG A 31 12.141 -2.503 4.107 1.00 0.00 C ATOM 467 NH1 ARG A 31 12.083 -3.826 4.306 1.00 0.00 N ATOM 468 NH2 ARG A 31 13.293 -1.846 4.300 1.00 0.00 N ATOM 0 H ARG A 31 7.567 1.286 5.701 1.00 0.00 H new ATOM 0 HA ARG A 31 7.597 -0.721 3.531 1.00 0.00 H new ATOM 0 HB2 ARG A 31 9.555 -0.541 5.266 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.415 -1.231 6.404 1.00 0.00 H new ATOM 0 HG2 ARG A 31 9.509 -3.133 5.514 1.00 0.00 H new ATOM 0 HG3 ARG A 31 8.006 -3.080 4.615 1.00 0.00 H new ATOM 0 HD2 ARG A 31 9.869 -3.467 3.058 1.00 0.00 H new ATOM 0 HD3 ARG A 31 9.169 -1.892 2.739 1.00 0.00 H new ATOM 0 HE ARG A 31 11.126 -0.829 3.571 1.00 0.00 H new ATOM 0 HH11 ARG A 31 11.206 -4.326 4.158 1.00 0.00 H new ATOM 0 HH12 ARG A 31 12.916 -4.334 4.605 1.00 0.00 H new ATOM 0 HH21 ARG A 31 13.337 -0.838 4.148 1.00 0.00 H new ATOM 0 HH22 ARG A 31 14.126 -2.354 4.599 1.00 0.00 H new ATOM 482 N ILE A 32 5.750 -2.140 4.533 1.00 0.00 N ATOM 483 CA ILE A 32 4.503 -2.768 4.936 1.00 0.00 C ATOM 484 C ILE A 32 4.728 -4.271 5.114 1.00 0.00 C ATOM 485 O ILE A 32 5.211 -4.942 4.203 1.00 0.00 O ATOM 486 CB ILE A 32 3.387 -2.426 3.947 1.00 0.00 C ATOM 487 CG1 ILE A 32 3.334 -0.920 3.680 1.00 0.00 C ATOM 488 CG2 ILE A 32 2.041 -2.970 4.429 1.00 0.00 C ATOM 489 CD1 ILE A 32 2.086 -0.550 2.875 1.00 0.00 C ATOM 0 H ILE A 32 6.244 -2.617 3.779 1.00 0.00 H new ATOM 0 HA ILE A 32 4.174 -2.378 5.899 1.00 0.00 H new ATOM 0 HB ILE A 32 3.610 -2.914 2.998 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.335 -0.379 4.626 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.227 -0.612 3.136 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.265 -2.713 3.708 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.101 -4.054 4.527 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.797 -2.531 5.396 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.072 0.526 2.699 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.101 -1.074 1.919 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.195 -0.838 3.433 1.00 0.00 H new ATOM 501 N SER A 33 4.366 -4.756 6.293 1.00 0.00 N ATOM 502 CA SER A 33 4.522 -6.167 6.601 1.00 0.00 C ATOM 503 C SER A 33 3.161 -6.786 6.924 1.00 0.00 C ATOM 504 O SER A 33 2.404 -6.245 7.729 1.00 0.00 O ATOM 505 CB SER A 33 5.489 -6.372 7.770 1.00 0.00 C ATOM 506 OG SER A 33 5.558 -5.225 8.612 1.00 0.00 O ATOM 0 H SER A 33 3.965 -4.197 7.046 1.00 0.00 H new ATOM 0 HA SER A 33 4.941 -6.664 5.726 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.171 -7.234 8.357 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.483 -6.598 7.383 1.00 0.00 H new ATOM 0 HG SER A 33 6.184 -5.396 9.347 1.00 0.00 H new ATOM 512 N ALA A 34 2.891 -7.911 6.279 1.00 0.00 N ATOM 513 CA ALA A 34 1.634 -8.610 6.488 1.00 0.00 C ATOM 514 C ALA A 34 1.691 -9.972 5.793 1.00 0.00 C ATOM 515 O ALA A 34 2.498 -10.178 4.888 1.00 0.00 O ATOM 516 CB ALA A 34 0.478 -7.744 5.980 1.00 0.00 C ATOM 0 H ALA A 34 3.521 -8.356 5.611 1.00 0.00 H new ATOM 0 HA ALA A 34 1.466 -8.789 7.550 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.465 -8.268 6.136 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.464 -6.800 6.525 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.611 -7.547 4.916 1.00 0.00 H new ATOM 522 N LYS A 35 0.824 -10.867 6.244 1.00 0.00 N ATOM 523 CA LYS A 35 0.765 -12.203 5.677 1.00 0.00 C ATOM 524 C LYS A 35 0.615 -12.103 4.158 1.00 0.00 C ATOM 525 O LYS A 35 0.086 -11.117 3.647 1.00 0.00 O ATOM 526 CB LYS A 35 -0.337 -13.023 6.351 1.00 0.00 C ATOM 527 CG LYS A 35 -1.597 -12.181 6.560 1.00 0.00 C ATOM 528 CD LYS A 35 -1.786 -11.835 8.038 1.00 0.00 C ATOM 529 CE LYS A 35 -2.032 -10.337 8.224 1.00 0.00 C ATOM 530 NZ LYS A 35 -1.629 -9.909 9.582 1.00 0.00 N ATOM 0 H LYS A 35 0.157 -10.693 6.996 1.00 0.00 H new ATOM 0 HA LYS A 35 1.694 -12.740 5.871 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.574 -13.893 5.739 1.00 0.00 H new ATOM 0 HB3 LYS A 35 0.018 -13.397 7.311 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.528 -11.264 5.974 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.468 -12.726 6.196 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.627 -12.398 8.442 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.902 -12.135 8.601 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.470 -9.775 7.478 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.087 -10.113 8.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.803 -8.889 9.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.183 -10.432 10.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.617 -10.104 9.722 1.00 0.00 H new ATOM 544 N PRO A 36 1.103 -13.163 3.461 1.00 0.00 N ATOM 545 CA PRO A 36 1.028 -13.204 2.010 1.00 0.00 C ATOM 546 C PRO A 36 -0.397 -13.507 1.543 1.00 0.00 C ATOM 547 O PRO A 36 -0.992 -12.723 0.806 1.00 0.00 O ATOM 548 CB PRO A 36 2.030 -14.269 1.594 1.00 0.00 C ATOM 549 CG PRO A 36 2.287 -15.107 2.836 1.00 0.00 C ATOM 550 CD PRO A 36 1.736 -14.348 4.033 1.00 0.00 C ATOM 0 HA PRO A 36 1.271 -12.247 1.549 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.635 -14.882 0.784 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.953 -13.817 1.230 1.00 0.00 H new ATOM 0 HG2 PRO A 36 1.805 -16.080 2.746 1.00 0.00 H new ATOM 0 HG3 PRO A 36 3.354 -15.290 2.959 1.00 0.00 H new ATOM 0 HD2 PRO A 36 1.018 -14.952 4.588 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.530 -14.076 4.729 1.00 0.00 H new ATOM 558 N THR A 37 -0.902 -14.648 1.990 1.00 0.00 N ATOM 559 CA THR A 37 -2.245 -15.065 1.627 1.00 0.00 C ATOM 560 C THR A 37 -3.186 -13.859 1.591 1.00 0.00 C ATOM 561 O THR A 37 -3.820 -13.591 0.571 1.00 0.00 O ATOM 562 CB THR A 37 -2.686 -16.150 2.611 1.00 0.00 C ATOM 563 OG1 THR A 37 -2.171 -15.711 3.865 1.00 0.00 O ATOM 564 CG2 THR A 37 -1.980 -17.485 2.365 1.00 0.00 C ATOM 0 H THR A 37 -0.405 -15.296 2.600 1.00 0.00 H new ATOM 0 HA THR A 37 -2.270 -15.488 0.623 1.00 0.00 H new ATOM 0 HB THR A 37 -3.764 -16.291 2.537 1.00 0.00 H new ATOM 0 HG1 THR A 37 -2.413 -16.356 4.562 1.00 0.00 H new ATOM 0 HG21 THR A 37 -2.329 -18.220 3.090 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.204 -17.835 1.357 1.00 0.00 H new ATOM 0 HG23 THR A 37 -0.903 -17.352 2.472 1.00 0.00 H new ATOM 572 N LYS A 38 -3.249 -13.163 2.717 1.00 0.00 N ATOM 573 CA LYS A 38 -4.102 -11.992 2.828 1.00 0.00 C ATOM 574 C LYS A 38 -4.026 -11.188 1.529 1.00 0.00 C ATOM 575 O LYS A 38 -3.058 -11.301 0.779 1.00 0.00 O ATOM 576 CB LYS A 38 -3.742 -11.183 4.075 1.00 0.00 C ATOM 577 CG LYS A 38 -4.924 -11.111 5.043 1.00 0.00 C ATOM 578 CD LYS A 38 -4.958 -9.765 5.769 1.00 0.00 C ATOM 579 CE LYS A 38 -5.578 -9.909 7.161 1.00 0.00 C ATOM 580 NZ LYS A 38 -5.304 -8.704 7.977 1.00 0.00 N ATOM 0 H LYS A 38 -2.723 -13.388 3.561 1.00 0.00 H new ATOM 0 HA LYS A 38 -5.143 -12.289 2.960 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.886 -11.639 4.574 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -3.443 -10.176 3.785 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.856 -11.257 4.496 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.852 -11.919 5.771 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.946 -9.369 5.857 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.532 -9.046 5.184 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -6.654 -10.059 7.073 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.173 -10.791 7.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -5.418 -8.934 8.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.331 -8.381 7.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.971 -7.949 7.716 1.00 0.00 H new ATOM 594 N ARG A 39 -5.061 -10.392 1.302 1.00 0.00 N ATOM 595 CA ARG A 39 -5.124 -9.568 0.107 1.00 0.00 C ATOM 596 C ARG A 39 -4.328 -8.277 0.309 1.00 0.00 C ATOM 597 O ARG A 39 -3.689 -8.093 1.344 1.00 0.00 O ATOM 598 CB ARG A 39 -6.571 -9.217 -0.245 1.00 0.00 C ATOM 599 CG ARG A 39 -7.297 -10.422 -0.847 1.00 0.00 C ATOM 600 CD ARG A 39 -8.689 -10.030 -1.347 1.00 0.00 C ATOM 601 NE ARG A 39 -9.659 -11.103 -1.035 1.00 0.00 N ATOM 602 CZ ARG A 39 -10.930 -11.113 -1.459 1.00 0.00 C ATOM 603 NH1 ARG A 39 -11.392 -10.107 -2.216 1.00 0.00 N ATOM 604 NH2 ARG A 39 -11.740 -12.127 -1.127 1.00 0.00 N ATOM 0 H ARG A 39 -5.863 -10.300 1.926 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.691 -10.141 -0.713 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.096 -8.882 0.650 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.586 -8.388 -0.953 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -6.712 -10.829 -1.672 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -7.384 -11.210 -0.099 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -9.003 -9.097 -0.879 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -8.662 -9.854 -2.422 1.00 0.00 H new ATOM 0 HE ARG A 39 -9.340 -11.884 -0.461 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -10.776 -9.334 -2.469 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -12.360 -10.114 -2.539 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -11.389 -12.892 -0.551 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -12.707 -12.134 -1.450 1.00 0.00 H new ATOM 618 N LEU A 40 -4.392 -7.416 -0.696 1.00 0.00 N ATOM 619 CA LEU A 40 -3.685 -6.148 -0.642 1.00 0.00 C ATOM 620 C LEU A 40 -4.520 -5.138 0.149 1.00 0.00 C ATOM 621 O LEU A 40 -3.975 -4.215 0.752 1.00 0.00 O ATOM 622 CB LEU A 40 -3.321 -5.676 -2.051 1.00 0.00 C ATOM 623 CG LEU A 40 -1.882 -5.943 -2.497 1.00 0.00 C ATOM 624 CD1 LEU A 40 -1.800 -6.105 -4.016 1.00 0.00 C ATOM 625 CD2 LEU A 40 -0.939 -4.853 -1.984 1.00 0.00 C ATOM 0 H LEU A 40 -4.923 -7.572 -1.553 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.737 -6.262 -0.115 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.995 -6.157 -2.759 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.506 -4.604 -2.113 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.556 -6.885 -2.056 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.767 -6.294 -4.307 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.423 -6.944 -4.327 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.152 -5.193 -4.499 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.078 -5.066 -2.315 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.253 -3.886 -2.377 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.969 -4.829 -0.895 1.00 0.00 H new ATOM 637 N GLN A 41 -5.828 -5.347 0.120 1.00 0.00 N ATOM 638 CA GLN A 41 -6.742 -4.466 0.826 1.00 0.00 C ATOM 639 C GLN A 41 -6.832 -4.866 2.300 1.00 0.00 C ATOM 640 O GLN A 41 -6.863 -4.006 3.179 1.00 0.00 O ATOM 641 CB GLN A 41 -8.125 -4.473 0.171 1.00 0.00 C ATOM 642 CG GLN A 41 -8.835 -5.808 0.403 1.00 0.00 C ATOM 643 CD GLN A 41 -10.077 -5.929 -0.483 1.00 0.00 C ATOM 644 OE1 GLN A 41 -9.998 -6.145 -1.681 1.00 0.00 O ATOM 645 NE2 GLN A 41 -11.225 -5.779 0.172 1.00 0.00 N ATOM 0 H GLN A 41 -6.276 -6.114 -0.381 1.00 0.00 H new ATOM 0 HA GLN A 41 -6.354 -3.449 0.768 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.728 -3.661 0.578 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.025 -4.291 -0.899 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.151 -6.630 0.191 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.122 -5.894 1.451 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -11.220 -5.600 1.176 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -12.111 -5.843 -0.330 1.00 0.00 H new ATOM 654 N GLU A 42 -6.871 -6.171 2.525 1.00 0.00 N ATOM 655 CA GLU A 42 -6.956 -6.694 3.878 1.00 0.00 C ATOM 656 C GLU A 42 -5.635 -6.473 4.617 1.00 0.00 C ATOM 657 O GLU A 42 -5.611 -6.400 5.845 1.00 0.00 O ATOM 658 CB GLU A 42 -7.338 -8.176 3.869 1.00 0.00 C ATOM 659 CG GLU A 42 -8.608 -8.410 3.048 1.00 0.00 C ATOM 660 CD GLU A 42 -9.855 -8.013 3.841 1.00 0.00 C ATOM 661 OE1 GLU A 42 -10.382 -8.898 4.548 1.00 0.00 O ATOM 662 OE2 GLU A 42 -10.252 -6.834 3.722 1.00 0.00 O ATOM 0 H GLU A 42 -6.845 -6.881 1.794 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.740 -6.153 4.407 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.519 -8.764 3.454 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -7.493 -8.522 4.891 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.560 -7.832 2.125 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -8.673 -9.460 2.763 1.00 0.00 H new ATOM 669 N ALA A 43 -4.568 -6.373 3.839 1.00 0.00 N ATOM 670 CA ALA A 43 -3.246 -6.162 4.404 1.00 0.00 C ATOM 671 C ALA A 43 -3.012 -4.662 4.595 1.00 0.00 C ATOM 672 O ALA A 43 -2.215 -4.258 5.441 1.00 0.00 O ATOM 673 CB ALA A 43 -2.194 -6.806 3.498 1.00 0.00 C ATOM 0 H ALA A 43 -4.592 -6.434 2.821 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.167 -6.636 5.383 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.202 -6.648 3.922 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.388 -7.876 3.418 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.241 -6.354 2.507 1.00 0.00 H new ATOM 679 N LEU A 44 -3.720 -3.878 3.796 1.00 0.00 N ATOM 680 CA LEU A 44 -3.600 -2.432 3.867 1.00 0.00 C ATOM 681 C LEU A 44 -4.714 -1.874 4.755 1.00 0.00 C ATOM 682 O LEU A 44 -4.673 -0.710 5.151 1.00 0.00 O ATOM 683 CB LEU A 44 -3.573 -1.827 2.462 1.00 0.00 C ATOM 684 CG LEU A 44 -2.329 -2.132 1.624 1.00 0.00 C ATOM 685 CD1 LEU A 44 -1.414 -0.909 1.537 1.00 0.00 C ATOM 686 CD2 LEU A 44 -1.594 -3.361 2.162 1.00 0.00 C ATOM 0 H LEU A 44 -4.379 -4.217 3.096 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.653 -2.151 4.329 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.449 -2.181 1.918 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.670 -0.745 2.552 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.649 -2.367 0.609 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.538 -1.152 0.936 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.954 -0.083 1.074 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.098 -0.619 2.539 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.714 -3.556 1.549 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.286 -3.179 3.192 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.258 -4.225 2.129 1.00 0.00 H new ATOM 698 N GLN A 45 -5.682 -2.731 5.043 1.00 0.00 N ATOM 699 CA GLN A 45 -6.805 -2.339 5.877 1.00 0.00 C ATOM 700 C GLN A 45 -6.308 -1.827 7.231 1.00 0.00 C ATOM 701 O GLN A 45 -6.716 -0.758 7.682 1.00 0.00 O ATOM 702 CB GLN A 45 -7.787 -3.499 6.057 1.00 0.00 C ATOM 703 CG GLN A 45 -9.068 -3.262 5.256 1.00 0.00 C ATOM 704 CD GLN A 45 -10.238 -2.919 6.181 1.00 0.00 C ATOM 705 OE1 GLN A 45 -10.748 -1.811 6.196 1.00 0.00 O ATOM 706 NE2 GLN A 45 -10.632 -3.930 6.951 1.00 0.00 N ATOM 0 H GLN A 45 -5.712 -3.696 4.713 1.00 0.00 H new ATOM 0 HA GLN A 45 -7.337 -1.530 5.377 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -7.319 -4.429 5.735 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.030 -3.614 7.113 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -8.912 -2.451 4.545 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -9.308 -4.153 4.675 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -10.161 -4.833 6.888 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -11.405 -3.802 7.604 1.00 0.00 H new ATOM 715 N PRO A 46 -5.410 -2.635 7.856 1.00 0.00 N ATOM 716 CA PRO A 46 -4.852 -2.274 9.149 1.00 0.00 C ATOM 717 C PRO A 46 -3.808 -1.166 9.005 1.00 0.00 C ATOM 718 O PRO A 46 -3.273 -0.679 10.001 1.00 0.00 O ATOM 719 CB PRO A 46 -4.275 -3.567 9.702 1.00 0.00 C ATOM 720 CG PRO A 46 -4.115 -4.496 8.510 1.00 0.00 C ATOM 721 CD PRO A 46 -4.903 -3.907 7.351 1.00 0.00 C ATOM 0 HA PRO A 46 -5.597 -1.863 9.830 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -3.317 -3.390 10.190 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -4.938 -4.002 10.450 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -3.063 -4.598 8.244 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -4.480 -5.494 8.752 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.270 -3.762 6.475 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.717 -4.566 7.050 1.00 0.00 H new ATOM 729 N ILE A 47 -3.548 -0.798 7.759 1.00 0.00 N ATOM 730 CA ILE A 47 -2.577 0.244 7.473 1.00 0.00 C ATOM 731 C ILE A 47 -3.312 1.553 7.177 1.00 0.00 C ATOM 732 O ILE A 47 -2.988 2.593 7.747 1.00 0.00 O ATOM 733 CB ILE A 47 -1.632 -0.197 6.353 1.00 0.00 C ATOM 734 CG1 ILE A 47 -0.720 -1.333 6.821 1.00 0.00 C ATOM 735 CG2 ILE A 47 -0.836 0.990 5.808 1.00 0.00 C ATOM 736 CD1 ILE A 47 -0.006 -0.962 8.122 1.00 0.00 C ATOM 0 H ILE A 47 -3.993 -1.203 6.936 1.00 0.00 H new ATOM 0 HA ILE A 47 -1.943 0.423 8.342 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.234 -0.585 5.531 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.308 -2.238 6.970 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.016 -1.555 6.048 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.172 0.649 5.013 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.523 1.737 5.411 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.245 1.431 6.611 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.636 -1.786 8.433 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.600 -0.070 7.963 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.745 -0.764 8.899 1.00 0.00 H new ATOM 748 N LEU A 48 -4.289 1.458 6.287 1.00 0.00 N ATOM 749 CA LEU A 48 -5.073 2.621 5.908 1.00 0.00 C ATOM 750 C LEU A 48 -5.894 3.091 7.111 1.00 0.00 C ATOM 751 O LEU A 48 -6.006 4.290 7.361 1.00 0.00 O ATOM 752 CB LEU A 48 -5.916 2.319 4.668 1.00 0.00 C ATOM 753 CG LEU A 48 -5.151 1.815 3.443 1.00 0.00 C ATOM 754 CD1 LEU A 48 -6.111 1.289 2.375 1.00 0.00 C ATOM 755 CD2 LEU A 48 -4.221 2.899 2.893 1.00 0.00 C ATOM 0 H LEU A 48 -4.556 0.593 5.817 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.419 3.446 5.626 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.665 1.574 4.935 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.453 3.225 4.389 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.524 0.979 3.753 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.541 0.937 1.515 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.695 0.465 2.785 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.782 2.089 2.063 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.689 2.515 2.023 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.809 3.770 2.604 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.502 3.185 3.660 1.00 0.00 H new ATOM 767 N ALA A 49 -6.446 2.121 7.825 1.00 0.00 N ATOM 768 CA ALA A 49 -7.254 2.420 8.995 1.00 0.00 C ATOM 769 C ALA A 49 -6.372 3.065 10.066 1.00 0.00 C ATOM 770 O ALA A 49 -6.843 3.889 10.849 1.00 0.00 O ATOM 771 CB ALA A 49 -7.929 1.139 9.490 1.00 0.00 C ATOM 0 H ALA A 49 -6.350 1.127 7.616 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.043 3.129 8.746 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.535 1.363 10.368 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.566 0.736 8.703 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.168 0.405 9.753 1.00 0.00 H new ATOM 777 N LYS A 50 -5.108 2.668 10.065 1.00 0.00 N ATOM 778 CA LYS A 50 -4.157 3.197 11.027 1.00 0.00 C ATOM 779 C LYS A 50 -3.531 4.476 10.468 1.00 0.00 C ATOM 780 O LYS A 50 -2.847 5.203 11.187 1.00 0.00 O ATOM 781 CB LYS A 50 -3.132 2.128 11.411 1.00 0.00 C ATOM 782 CG LYS A 50 -2.630 2.338 12.841 1.00 0.00 C ATOM 783 CD LYS A 50 -2.349 0.999 13.526 1.00 0.00 C ATOM 784 CE LYS A 50 -0.961 0.993 14.170 1.00 0.00 C ATOM 785 NZ LYS A 50 -0.300 -0.315 13.964 1.00 0.00 N ATOM 0 H LYS A 50 -4.721 1.986 9.413 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.663 3.468 11.954 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -3.582 1.139 11.321 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -2.291 2.160 10.718 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.722 2.941 12.827 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.373 2.894 13.413 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.107 0.809 14.286 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.419 0.192 12.797 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.351 1.787 13.740 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.048 1.199 15.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.641 -0.302 14.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.875 -1.066 14.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.200 -0.497 12.945 1.00 0.00 H new ATOM 799 N HIS A 51 -3.787 4.712 9.189 1.00 0.00 N ATOM 800 CA HIS A 51 -3.258 5.891 8.525 1.00 0.00 C ATOM 801 C HIS A 51 -4.407 6.828 8.148 1.00 0.00 C ATOM 802 O HIS A 51 -4.207 7.802 7.424 1.00 0.00 O ATOM 803 CB HIS A 51 -2.396 5.497 7.324 1.00 0.00 C ATOM 804 CG HIS A 51 -1.049 4.923 7.696 1.00 0.00 C ATOM 805 ND1 HIS A 51 -0.717 3.596 7.492 1.00 0.00 N ATOM 806 CD2 HIS A 51 0.044 5.511 8.261 1.00 0.00 C ATOM 807 CE1 HIS A 51 0.522 3.404 7.918 1.00 0.00 C ATOM 808 NE2 HIS A 51 0.992 4.592 8.395 1.00 0.00 N ATOM 0 H HIS A 51 -4.354 4.106 8.595 1.00 0.00 H new ATOM 0 HA HIS A 51 -2.603 6.433 9.207 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -2.938 4.765 6.725 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -2.244 6.374 6.695 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -1.324 2.886 7.083 1.00 0.00 H new ATOM 0 HD2 HIS A 51 0.124 6.548 8.550 1.00 0.00 H new ATOM 0 HE1 HIS A 51 1.065 2.471 7.892 1.00 0.00 H new ATOM 816 N GLY A 52 -5.586 6.499 8.655 1.00 0.00 N ATOM 817 CA GLY A 52 -6.768 7.299 8.380 1.00 0.00 C ATOM 818 C GLY A 52 -7.062 7.345 6.879 1.00 0.00 C ATOM 819 O GLY A 52 -7.844 8.177 6.422 1.00 0.00 O ATOM 0 H GLY A 52 -5.748 5.690 9.254 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.625 6.882 8.909 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.622 8.311 8.757 1.00 0.00 H new ATOM 823 N LEU A 53 -6.420 6.441 6.155 1.00 0.00 N ATOM 824 CA LEU A 53 -6.602 6.368 4.715 1.00 0.00 C ATOM 825 C LEU A 53 -7.732 5.386 4.398 1.00 0.00 C ATOM 826 O LEU A 53 -8.388 4.875 5.304 1.00 0.00 O ATOM 827 CB LEU A 53 -5.280 6.029 4.024 1.00 0.00 C ATOM 828 CG LEU A 53 -4.110 6.969 4.316 1.00 0.00 C ATOM 829 CD1 LEU A 53 -2.817 6.450 3.684 1.00 0.00 C ATOM 830 CD2 LEU A 53 -4.430 8.398 3.873 1.00 0.00 C ATOM 0 H LEU A 53 -5.773 5.752 6.538 1.00 0.00 H new ATOM 0 HA LEU A 53 -6.902 7.338 4.319 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.990 5.019 4.314 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.449 6.015 2.947 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.954 6.993 5.395 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.001 7.138 3.907 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.583 5.466 4.090 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.944 6.376 2.604 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.581 9.046 4.092 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.629 8.411 2.801 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.308 8.757 4.409 1.00 0.00 H new ATOM 842 N SER A 54 -7.925 5.153 3.108 1.00 0.00 N ATOM 843 CA SER A 54 -8.965 4.242 2.660 1.00 0.00 C ATOM 844 C SER A 54 -8.484 3.464 1.433 1.00 0.00 C ATOM 845 O SER A 54 -7.654 3.953 0.669 1.00 0.00 O ATOM 846 CB SER A 54 -10.257 4.996 2.338 1.00 0.00 C ATOM 847 OG SER A 54 -10.460 6.104 3.210 1.00 0.00 O ATOM 0 H SER A 54 -7.379 5.579 2.359 1.00 0.00 H new ATOM 0 HA SER A 54 -9.178 3.541 3.467 1.00 0.00 H new ATOM 0 HB2 SER A 54 -10.224 5.348 1.307 1.00 0.00 H new ATOM 0 HB3 SER A 54 -11.104 4.314 2.415 1.00 0.00 H new ATOM 0 HG SER A 54 -11.294 6.560 2.971 1.00 0.00 H new ATOM 853 N LEU A 55 -9.028 2.265 1.282 1.00 0.00 N ATOM 854 CA LEU A 55 -8.666 1.414 0.162 1.00 0.00 C ATOM 855 C LEU A 55 -9.194 2.033 -1.134 1.00 0.00 C ATOM 856 O LEU A 55 -8.656 1.779 -2.211 1.00 0.00 O ATOM 857 CB LEU A 55 -9.146 -0.019 0.399 1.00 0.00 C ATOM 858 CG LEU A 55 -8.856 -0.603 1.784 1.00 0.00 C ATOM 859 CD1 LEU A 55 -9.959 -1.572 2.212 1.00 0.00 C ATOM 860 CD2 LEU A 55 -7.473 -1.254 1.826 1.00 0.00 C ATOM 0 H LEU A 55 -9.717 1.863 1.917 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.582 1.350 0.068 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -10.222 -0.053 0.230 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.685 -0.664 -0.349 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.848 0.215 2.505 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -9.729 -1.973 3.199 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -10.913 -1.045 2.248 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -10.023 -2.390 1.494 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.292 -1.661 2.821 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.427 -2.058 1.091 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.713 -0.508 1.596 1.00 0.00 H new ATOM 872 N ASP A 56 -10.239 2.833 -0.987 1.00 0.00 N ATOM 873 CA ASP A 56 -10.846 3.490 -2.133 1.00 0.00 C ATOM 874 C ASP A 56 -10.417 4.958 -2.160 1.00 0.00 C ATOM 875 O ASP A 56 -11.073 5.789 -2.785 1.00 0.00 O ATOM 876 CB ASP A 56 -12.373 3.445 -2.049 1.00 0.00 C ATOM 877 CG ASP A 56 -13.098 3.568 -3.390 1.00 0.00 C ATOM 878 OD1 ASP A 56 -12.482 4.134 -4.319 1.00 0.00 O ATOM 879 OD2 ASP A 56 -14.253 3.093 -3.456 1.00 0.00 O ATOM 0 H ASP A 56 -10.681 3.042 -0.092 1.00 0.00 H new ATOM 0 HA ASP A 56 -10.519 2.969 -3.033 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -12.668 2.507 -1.578 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -12.710 4.250 -1.396 1.00 0.00 H new ATOM 884 N GLN A 57 -9.317 5.232 -1.473 1.00 0.00 N ATOM 885 CA GLN A 57 -8.792 6.586 -1.411 1.00 0.00 C ATOM 886 C GLN A 57 -7.412 6.651 -2.067 1.00 0.00 C ATOM 887 O GLN A 57 -7.155 7.523 -2.896 1.00 0.00 O ATOM 888 CB GLN A 57 -8.737 7.086 0.034 1.00 0.00 C ATOM 889 CG GLN A 57 -10.086 7.663 0.467 1.00 0.00 C ATOM 890 CD GLN A 57 -10.330 9.030 -0.175 1.00 0.00 C ATOM 891 OE1 GLN A 57 -9.620 9.993 0.065 1.00 0.00 O ATOM 892 NE2 GLN A 57 -11.371 9.061 -1.003 1.00 0.00 N ATOM 0 H GLN A 57 -8.775 4.540 -0.955 1.00 0.00 H new ATOM 0 HA GLN A 57 -9.465 7.242 -1.963 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -8.459 6.266 0.696 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -7.964 7.848 0.129 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -10.886 6.978 0.186 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -10.114 7.757 1.553 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -11.924 8.218 -1.159 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -11.616 9.928 -1.482 1.00 0.00 H new ATOM 901 N VAL A 58 -6.559 5.717 -1.671 1.00 0.00 N ATOM 902 CA VAL A 58 -5.211 5.658 -2.210 1.00 0.00 C ATOM 903 C VAL A 58 -5.210 4.797 -3.475 1.00 0.00 C ATOM 904 O VAL A 58 -6.160 4.057 -3.728 1.00 0.00 O ATOM 905 CB VAL A 58 -4.242 5.150 -1.141 1.00 0.00 C ATOM 906 CG1 VAL A 58 -4.295 6.029 0.110 1.00 0.00 C ATOM 907 CG2 VAL A 58 -4.524 3.687 -0.795 1.00 0.00 C ATOM 0 H VAL A 58 -6.775 4.995 -0.983 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.869 6.653 -2.493 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.233 5.209 -1.549 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.597 5.646 0.854 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.021 7.051 -0.152 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.305 6.017 0.520 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.821 3.351 -0.033 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.542 3.592 -0.417 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.411 3.073 -1.689 1.00 0.00 H new ATOM 917 N VAL A 59 -4.133 4.922 -4.237 1.00 0.00 N ATOM 918 CA VAL A 59 -3.996 4.165 -5.470 1.00 0.00 C ATOM 919 C VAL A 59 -2.632 3.473 -5.489 1.00 0.00 C ATOM 920 O VAL A 59 -1.596 4.135 -5.501 1.00 0.00 O ATOM 921 CB VAL A 59 -4.218 5.082 -6.674 1.00 0.00 C ATOM 922 CG1 VAL A 59 -3.690 4.438 -7.958 1.00 0.00 C ATOM 923 CG2 VAL A 59 -5.696 5.454 -6.815 1.00 0.00 C ATOM 0 H VAL A 59 -3.347 5.536 -4.024 1.00 0.00 H new ATOM 0 HA VAL A 59 -4.757 3.386 -5.527 1.00 0.00 H new ATOM 0 HB VAL A 59 -3.656 6.000 -6.504 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -3.860 5.110 -8.799 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.622 4.247 -7.857 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.212 3.497 -8.134 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -5.826 6.106 -7.678 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.288 4.549 -6.952 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -6.028 5.972 -5.915 1.00 0.00 H new ATOM 933 N LEU A 60 -2.677 2.148 -5.491 1.00 0.00 N ATOM 934 CA LEU A 60 -1.457 1.359 -5.508 1.00 0.00 C ATOM 935 C LEU A 60 -1.150 0.934 -6.946 1.00 0.00 C ATOM 936 O LEU A 60 -2.058 0.600 -7.705 1.00 0.00 O ATOM 937 CB LEU A 60 -1.564 0.187 -4.530 1.00 0.00 C ATOM 938 CG LEU A 60 -0.241 -0.459 -4.111 1.00 0.00 C ATOM 939 CD1 LEU A 60 0.349 0.244 -2.888 1.00 0.00 C ATOM 940 CD2 LEU A 60 -0.415 -1.962 -3.881 1.00 0.00 C ATOM 0 H LEU A 60 -3.538 1.602 -5.481 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.612 1.956 -5.164 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.077 0.534 -3.633 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.194 -0.580 -4.980 1.00 0.00 H new ATOM 0 HG LEU A 60 0.473 -0.338 -4.926 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.288 -0.235 -2.611 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.532 1.292 -3.124 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.352 0.176 -2.056 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.539 -2.398 -3.584 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.150 -2.127 -3.093 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.758 -2.434 -4.802 1.00 0.00 H new ATOM 952 N HIS A 61 0.133 0.962 -7.276 1.00 0.00 N ATOM 953 CA HIS A 61 0.571 0.584 -8.609 1.00 0.00 C ATOM 954 C HIS A 61 2.089 0.746 -8.715 1.00 0.00 C ATOM 955 O HIS A 61 2.611 1.850 -8.568 1.00 0.00 O ATOM 956 CB HIS A 61 -0.186 1.379 -9.675 1.00 0.00 C ATOM 957 CG HIS A 61 -0.177 2.872 -9.450 1.00 0.00 C ATOM 958 ND1 HIS A 61 0.481 3.753 -10.290 1.00 0.00 N ATOM 959 CD2 HIS A 61 -0.752 3.629 -8.472 1.00 0.00 C ATOM 960 CE1 HIS A 61 0.303 4.982 -9.829 1.00 0.00 C ATOM 961 NE2 HIS A 61 -0.461 4.903 -8.702 1.00 0.00 N ATOM 0 H HIS A 61 0.883 1.241 -6.643 1.00 0.00 H new ATOM 0 HA HIS A 61 0.339 -0.466 -8.788 1.00 0.00 H new ATOM 0 HB2 HIS A 61 0.251 1.166 -10.651 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -1.219 1.033 -9.706 1.00 0.00 H new ATOM 0 HD1 HIS A 61 1.013 3.499 -11.123 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -1.344 3.255 -7.650 1.00 0.00 H new ATOM 0 HE1 HIS A 61 0.694 5.888 -10.268 1.00 0.00 H new ATOM 969 N ARG A 62 2.754 -0.372 -8.969 1.00 0.00 N ATOM 970 CA ARG A 62 4.202 -0.368 -9.097 1.00 0.00 C ATOM 971 C ARG A 62 4.660 0.850 -9.902 1.00 0.00 C ATOM 972 O ARG A 62 3.867 1.460 -10.617 1.00 0.00 O ATOM 973 CB ARG A 62 4.697 -1.642 -9.784 1.00 0.00 C ATOM 974 CG ARG A 62 5.170 -2.671 -8.756 1.00 0.00 C ATOM 975 CD ARG A 62 4.403 -3.986 -8.904 1.00 0.00 C ATOM 976 NE ARG A 62 5.152 -5.086 -8.256 1.00 0.00 N ATOM 977 CZ ARG A 62 4.782 -6.373 -8.295 1.00 0.00 C ATOM 978 NH1 ARG A 62 3.670 -6.730 -8.951 1.00 0.00 N ATOM 979 NH2 ARG A 62 5.524 -7.302 -7.677 1.00 0.00 N ATOM 0 H ARG A 62 2.317 -1.286 -9.090 1.00 0.00 H new ATOM 0 HA ARG A 62 4.624 -0.323 -8.093 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.896 -2.068 -10.388 1.00 0.00 H new ATOM 0 HB3 ARG A 62 5.514 -1.399 -10.463 1.00 0.00 H new ATOM 0 HG2 ARG A 62 6.237 -2.852 -8.882 1.00 0.00 H new ATOM 0 HG3 ARG A 62 5.031 -2.276 -7.750 1.00 0.00 H new ATOM 0 HD2 ARG A 62 3.415 -3.893 -8.453 1.00 0.00 H new ATOM 0 HD3 ARG A 62 4.251 -4.211 -9.960 1.00 0.00 H new ATOM 0 HE ARG A 62 6.004 -4.849 -7.748 1.00 0.00 H new ATOM 0 HH11 ARG A 62 3.105 -6.022 -9.421 1.00 0.00 H new ATOM 0 HH12 ARG A 62 3.388 -7.710 -8.981 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.370 -7.029 -7.177 1.00 0.00 H new ATOM 0 HH22 ARG A 62 5.243 -8.282 -7.706 1.00 0.00 H new ATOM 993 N PRO A 63 5.973 1.174 -9.755 1.00 0.00 N ATOM 994 CA PRO A 63 6.547 2.308 -10.460 1.00 0.00 C ATOM 995 C PRO A 63 6.757 1.984 -11.940 1.00 0.00 C ATOM 996 O PRO A 63 7.881 1.728 -12.370 1.00 0.00 O ATOM 997 CB PRO A 63 7.844 2.610 -9.728 1.00 0.00 C ATOM 998 CG PRO A 63 8.179 1.356 -8.938 1.00 0.00 C ATOM 999 CD PRO A 63 6.942 0.474 -8.917 1.00 0.00 C ATOM 0 HA PRO A 63 5.892 3.180 -10.459 1.00 0.00 H new ATOM 0 HB2 PRO A 63 8.641 2.854 -10.430 1.00 0.00 H new ATOM 0 HB3 PRO A 63 7.728 3.469 -9.067 1.00 0.00 H new ATOM 0 HG2 PRO A 63 9.016 0.829 -9.396 1.00 0.00 H new ATOM 0 HG3 PRO A 63 8.481 1.614 -7.923 1.00 0.00 H new ATOM 0 HD2 PRO A 63 7.158 -0.520 -9.308 1.00 0.00 H new ATOM 0 HD3 PRO A 63 6.566 0.343 -7.902 1.00 0.00 H new ATOM 1007 N GLY A 64 5.658 2.004 -12.680 1.00 0.00 N ATOM 1008 CA GLY A 64 5.707 1.716 -14.103 1.00 0.00 C ATOM 1009 C GLY A 64 4.620 0.714 -14.497 1.00 0.00 C ATOM 1010 O GLY A 64 4.903 -0.292 -15.145 1.00 0.00 O ATOM 0 H GLY A 64 4.727 2.215 -12.320 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.579 2.639 -14.669 1.00 0.00 H new ATOM 0 HA3 GLY A 64 6.687 1.316 -14.363 1.00 0.00 H new ATOM 1014 N GLU A 65 3.398 1.025 -14.090 1.00 0.00 N ATOM 1015 CA GLU A 65 2.267 0.165 -14.393 1.00 0.00 C ATOM 1016 C GLU A 65 1.270 0.897 -15.294 1.00 0.00 C ATOM 1017 O GLU A 65 1.469 2.064 -15.627 1.00 0.00 O ATOM 1018 CB GLU A 65 1.591 -0.324 -13.111 1.00 0.00 C ATOM 1019 CG GLU A 65 2.538 -1.204 -12.293 1.00 0.00 C ATOM 1020 CD GLU A 65 2.790 -2.539 -12.996 1.00 0.00 C ATOM 1021 OE1 GLU A 65 3.539 -2.521 -13.996 1.00 0.00 O ATOM 1022 OE2 GLU A 65 2.228 -3.548 -12.517 1.00 0.00 O ATOM 0 H GLU A 65 3.167 1.861 -13.553 1.00 0.00 H new ATOM 0 HA GLU A 65 2.635 -0.711 -14.927 1.00 0.00 H new ATOM 0 HB2 GLU A 65 1.276 0.531 -12.513 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.692 -0.887 -13.362 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.484 -0.684 -12.142 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.112 -1.383 -11.306 1.00 0.00 H new ATOM 1029 N LYS A 66 0.218 0.181 -15.663 1.00 0.00 N ATOM 1030 CA LYS A 66 -0.810 0.747 -16.519 1.00 0.00 C ATOM 1031 C LYS A 66 -1.997 1.188 -15.660 1.00 0.00 C ATOM 1032 O LYS A 66 -2.260 2.382 -15.523 1.00 0.00 O ATOM 1033 CB LYS A 66 -1.186 -0.237 -17.628 1.00 0.00 C ATOM 1034 CG LYS A 66 -1.926 0.474 -18.764 1.00 0.00 C ATOM 1035 CD LYS A 66 -3.332 -0.103 -18.948 1.00 0.00 C ATOM 1036 CE LYS A 66 -4.304 0.969 -19.443 1.00 0.00 C ATOM 1037 NZ LYS A 66 -5.267 0.390 -20.407 1.00 0.00 N ATOM 0 H LYS A 66 0.056 -0.787 -15.384 1.00 0.00 H new ATOM 0 HA LYS A 66 -0.435 1.636 -17.027 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -0.286 -0.713 -18.017 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -1.814 -1.029 -17.219 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.992 1.540 -18.549 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -1.362 0.370 -19.691 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -3.300 -0.927 -19.661 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -3.687 -0.513 -18.003 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.841 1.400 -18.598 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -3.750 1.780 -19.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -5.920 1.131 -20.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -4.751 0.000 -21.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -5.808 -0.368 -19.944 1.00 0.00 H new ATOM 1051 N GLN A 67 -2.682 0.201 -15.102 1.00 0.00 N ATOM 1052 CA GLN A 67 -3.835 0.472 -14.260 1.00 0.00 C ATOM 1053 C GLN A 67 -3.482 0.244 -12.789 1.00 0.00 C ATOM 1054 O GLN A 67 -2.504 -0.434 -12.479 1.00 0.00 O ATOM 1055 CB GLN A 67 -5.031 -0.386 -14.675 1.00 0.00 C ATOM 1056 CG GLN A 67 -5.932 0.367 -15.656 1.00 0.00 C ATOM 1057 CD GLN A 67 -7.403 0.251 -15.249 1.00 0.00 C ATOM 1058 OE1 GLN A 67 -7.952 -0.830 -15.112 1.00 0.00 O ATOM 1059 NE2 GLN A 67 -8.008 1.421 -15.065 1.00 0.00 N ATOM 0 H GLN A 67 -2.461 -0.788 -15.216 1.00 0.00 H new ATOM 0 HA GLN A 67 -4.117 1.517 -14.389 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -4.679 -1.309 -15.135 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -5.605 -0.668 -13.792 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -5.642 1.417 -15.689 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -5.796 -0.033 -16.661 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -7.490 2.289 -15.196 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -8.990 1.450 -14.792 1.00 0.00 H new ATOM 1068 N PRO A 68 -4.319 0.840 -11.898 1.00 0.00 N ATOM 1069 CA PRO A 68 -4.106 0.710 -10.467 1.00 0.00 C ATOM 1070 C PRO A 68 -4.516 -0.680 -9.976 1.00 0.00 C ATOM 1071 O PRO A 68 -5.372 -1.327 -10.577 1.00 0.00 O ATOM 1072 CB PRO A 68 -4.927 1.827 -9.843 1.00 0.00 C ATOM 1073 CG PRO A 68 -5.931 2.248 -10.903 1.00 0.00 C ATOM 1074 CD PRO A 68 -5.488 1.651 -12.229 1.00 0.00 C ATOM 0 HA PRO A 68 -3.056 0.803 -10.188 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -5.433 1.483 -8.941 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -4.291 2.664 -9.553 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -6.930 1.899 -10.642 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -5.981 3.335 -10.971 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -6.277 1.045 -12.674 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -5.239 2.429 -12.950 1.00 0.00 H new ATOM 1082 N MET A 69 -3.886 -1.098 -8.888 1.00 0.00 N ATOM 1083 CA MET A 69 -4.175 -2.399 -8.309 1.00 0.00 C ATOM 1084 C MET A 69 -5.562 -2.416 -7.664 1.00 0.00 C ATOM 1085 O MET A 69 -5.986 -1.427 -7.068 1.00 0.00 O ATOM 1086 CB MET A 69 -3.117 -2.735 -7.256 1.00 0.00 C ATOM 1087 CG MET A 69 -1.708 -2.464 -7.787 1.00 0.00 C ATOM 1088 SD MET A 69 -0.827 -4.002 -7.995 1.00 0.00 S ATOM 1089 CE MET A 69 -0.688 -4.512 -6.290 1.00 0.00 C ATOM 0 H MET A 69 -3.176 -0.559 -8.392 1.00 0.00 H new ATOM 0 HA MET A 69 -4.157 -3.143 -9.105 1.00 0.00 H new ATOM 0 HB2 MET A 69 -3.291 -2.142 -6.358 1.00 0.00 H new ATOM 0 HB3 MET A 69 -3.206 -3.783 -6.968 1.00 0.00 H new ATOM 0 HG2 MET A 69 -1.765 -1.936 -8.739 1.00 0.00 H new ATOM 0 HG3 MET A 69 -1.168 -1.817 -7.096 1.00 0.00 H new ATOM 0 HE1 MET A 69 -0.762 -5.598 -6.228 1.00 0.00 H new ATOM 0 HE2 MET A 69 0.274 -4.190 -5.891 1.00 0.00 H new ATOM 0 HE3 MET A 69 -1.491 -4.060 -5.708 1.00 0.00 H new ATOM 1099 N ASP A 70 -6.231 -3.551 -7.804 1.00 0.00 N ATOM 1100 CA ASP A 70 -7.561 -3.710 -7.242 1.00 0.00 C ATOM 1101 C ASP A 70 -7.448 -4.286 -5.829 1.00 0.00 C ATOM 1102 O ASP A 70 -8.411 -4.842 -5.303 1.00 0.00 O ATOM 1103 CB ASP A 70 -8.401 -4.675 -8.080 1.00 0.00 C ATOM 1104 CG ASP A 70 -8.711 -4.198 -9.501 1.00 0.00 C ATOM 1105 OD1 ASP A 70 -8.606 -2.972 -9.722 1.00 0.00 O ATOM 1106 OD2 ASP A 70 -9.045 -5.069 -10.332 1.00 0.00 O ATOM 0 H ASP A 70 -5.876 -4.370 -8.299 1.00 0.00 H new ATOM 0 HA ASP A 70 -8.041 -2.731 -7.230 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -7.879 -5.630 -8.139 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -9.342 -4.858 -7.561 1.00 0.00 H new ATOM 1111 N LEU A 71 -6.263 -4.134 -5.256 1.00 0.00 N ATOM 1112 CA LEU A 71 -6.012 -4.633 -3.914 1.00 0.00 C ATOM 1113 C LEU A 71 -6.684 -5.997 -3.747 1.00 0.00 C ATOM 1114 O LEU A 71 -7.084 -6.365 -2.644 1.00 0.00 O ATOM 1115 CB LEU A 71 -6.445 -3.602 -2.870 1.00 0.00 C ATOM 1116 CG LEU A 71 -6.109 -2.143 -3.187 1.00 0.00 C ATOM 1117 CD1 LEU A 71 -6.971 -1.189 -2.359 1.00 0.00 C ATOM 1118 CD2 LEU A 71 -4.614 -1.872 -3.002 1.00 0.00 C ATOM 0 H LEU A 71 -5.467 -3.673 -5.696 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.944 -4.783 -3.757 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.523 -3.684 -2.733 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.982 -3.862 -1.918 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.342 -1.959 -4.236 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.712 -0.159 -2.604 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.023 -1.362 -2.584 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.793 -1.366 -1.298 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.402 -0.828 -3.234 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.332 -2.079 -1.970 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.042 -2.515 -3.671 1.00 0.00 H new ATOM 1130 N GLU A 72 -6.787 -6.710 -4.859 1.00 0.00 N ATOM 1131 CA GLU A 72 -7.404 -8.026 -4.850 1.00 0.00 C ATOM 1132 C GLU A 72 -6.333 -9.113 -4.740 1.00 0.00 C ATOM 1133 O GLU A 72 -6.527 -10.112 -4.048 1.00 0.00 O ATOM 1134 CB GLU A 72 -8.271 -8.233 -6.093 1.00 0.00 C ATOM 1135 CG GLU A 72 -9.710 -7.781 -5.840 1.00 0.00 C ATOM 1136 CD GLU A 72 -10.658 -8.980 -5.769 1.00 0.00 C ATOM 1137 OE1 GLU A 72 -10.592 -9.811 -6.700 1.00 0.00 O ATOM 1138 OE2 GLU A 72 -11.427 -9.038 -4.785 1.00 0.00 O ATOM 0 H GLU A 72 -6.454 -6.401 -5.772 1.00 0.00 H new ATOM 0 HA GLU A 72 -8.055 -8.096 -3.978 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -7.852 -7.674 -6.930 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -8.261 -9.286 -6.376 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -9.759 -7.218 -4.908 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -10.029 -7.108 -6.636 1.00 0.00 H new ATOM 1145 N ASN A 73 -5.227 -8.882 -5.432 1.00 0.00 N ATOM 1146 CA ASN A 73 -4.126 -9.830 -5.421 1.00 0.00 C ATOM 1147 C ASN A 73 -3.502 -9.863 -4.025 1.00 0.00 C ATOM 1148 O ASN A 73 -3.581 -8.886 -3.282 1.00 0.00 O ATOM 1149 CB ASN A 73 -3.038 -9.421 -6.416 1.00 0.00 C ATOM 1150 CG ASN A 73 -3.595 -9.350 -7.839 1.00 0.00 C ATOM 1151 OD1 ASN A 73 -3.570 -10.310 -8.592 1.00 0.00 O ATOM 1152 ND2 ASN A 73 -4.097 -8.162 -8.165 1.00 0.00 N ATOM 0 H ASN A 73 -5.070 -8.052 -6.004 1.00 0.00 H new ATOM 0 HA ASN A 73 -4.519 -10.808 -5.698 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -2.628 -8.451 -6.133 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -2.218 -10.138 -6.378 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -4.492 -8.013 -9.093 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -4.087 -7.400 -7.487 1.00 0.00 H new ATOM 1159 N PRO A 74 -2.879 -11.028 -3.701 1.00 0.00 N ATOM 1160 CA PRO A 74 -2.241 -11.201 -2.407 1.00 0.00 C ATOM 1161 C PRO A 74 -0.919 -10.435 -2.340 1.00 0.00 C ATOM 1162 O PRO A 74 -0.166 -10.402 -3.313 1.00 0.00 O ATOM 1163 CB PRO A 74 -2.066 -12.703 -2.253 1.00 0.00 C ATOM 1164 CG PRO A 74 -2.184 -13.282 -3.654 1.00 0.00 C ATOM 1165 CD PRO A 74 -2.765 -12.206 -4.556 1.00 0.00 C ATOM 0 HA PRO A 74 -2.835 -10.796 -1.588 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -1.098 -12.940 -1.813 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -2.827 -13.119 -1.593 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -1.207 -13.600 -4.019 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -2.825 -14.164 -3.650 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -2.117 -12.014 -5.411 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -3.736 -12.503 -4.952 1.00 0.00 H new ATOM 1173 N VAL A 75 -0.675 -9.838 -1.183 1.00 0.00 N ATOM 1174 CA VAL A 75 0.543 -9.074 -0.976 1.00 0.00 C ATOM 1175 C VAL A 75 1.739 -9.883 -1.484 1.00 0.00 C ATOM 1176 O VAL A 75 2.763 -9.314 -1.859 1.00 0.00 O ATOM 1177 CB VAL A 75 0.670 -8.679 0.496 1.00 0.00 C ATOM 1178 CG1 VAL A 75 -0.276 -7.527 0.838 1.00 0.00 C ATOM 1179 CG2 VAL A 75 0.423 -9.881 1.410 1.00 0.00 C ATOM 0 H VAL A 75 -1.301 -9.868 -0.378 1.00 0.00 H new ATOM 0 HA VAL A 75 0.513 -8.145 -1.545 1.00 0.00 H new ATOM 0 HB VAL A 75 1.691 -8.335 0.663 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -0.166 -7.266 1.890 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.033 -6.661 0.222 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.305 -7.832 0.646 1.00 0.00 H new ATOM 0 HG21 VAL A 75 0.519 -9.572 2.451 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.581 -10.269 1.238 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.155 -10.659 1.193 1.00 0.00 H new ATOM 1189 N SER A 76 1.569 -11.197 -1.478 1.00 0.00 N ATOM 1190 CA SER A 76 2.622 -12.089 -1.933 1.00 0.00 C ATOM 1191 C SER A 76 3.056 -11.707 -3.350 1.00 0.00 C ATOM 1192 O SER A 76 4.140 -12.082 -3.793 1.00 0.00 O ATOM 1193 CB SER A 76 2.162 -13.548 -1.894 1.00 0.00 C ATOM 1194 OG SER A 76 1.068 -13.787 -2.776 1.00 0.00 O ATOM 0 H SER A 76 0.718 -11.665 -1.165 1.00 0.00 H new ATOM 0 HA SER A 76 3.473 -11.986 -1.259 1.00 0.00 H new ATOM 0 HB2 SER A 76 2.994 -14.198 -2.164 1.00 0.00 H new ATOM 0 HB3 SER A 76 1.871 -13.809 -0.877 1.00 0.00 H new ATOM 0 HG SER A 76 0.805 -14.730 -2.723 1.00 0.00 H new ATOM 1200 N SER A 77 2.187 -10.966 -4.021 1.00 0.00 N ATOM 1201 CA SER A 77 2.467 -10.529 -5.378 1.00 0.00 C ATOM 1202 C SER A 77 3.353 -9.282 -5.354 1.00 0.00 C ATOM 1203 O SER A 77 4.180 -9.086 -6.243 1.00 0.00 O ATOM 1204 CB SER A 77 1.173 -10.246 -6.144 1.00 0.00 C ATOM 1205 OG SER A 77 0.859 -11.288 -7.065 1.00 0.00 O ATOM 0 H SER A 77 1.288 -10.657 -3.650 1.00 0.00 H new ATOM 0 HA SER A 77 2.994 -11.332 -5.894 1.00 0.00 H new ATOM 0 HB2 SER A 77 0.352 -10.127 -5.437 1.00 0.00 H new ATOM 0 HB3 SER A 77 1.269 -9.303 -6.682 1.00 0.00 H new ATOM 0 HG SER A 77 0.026 -11.071 -7.533 1.00 0.00 H new ATOM 1211 N VAL A 78 3.149 -8.470 -4.327 1.00 0.00 N ATOM 1212 CA VAL A 78 3.918 -7.247 -4.175 1.00 0.00 C ATOM 1213 C VAL A 78 5.243 -7.566 -3.480 1.00 0.00 C ATOM 1214 O VAL A 78 6.102 -6.696 -3.343 1.00 0.00 O ATOM 1215 CB VAL A 78 3.091 -6.196 -3.432 1.00 0.00 C ATOM 1216 CG1 VAL A 78 1.705 -6.043 -4.063 1.00 0.00 C ATOM 1217 CG2 VAL A 78 2.981 -6.536 -1.945 1.00 0.00 C ATOM 0 H VAL A 78 2.462 -8.636 -3.592 1.00 0.00 H new ATOM 0 HA VAL A 78 4.156 -6.823 -5.150 1.00 0.00 H new ATOM 0 HB VAL A 78 3.607 -5.240 -3.520 1.00 0.00 H new ATOM 0 HG11 VAL A 78 1.137 -5.290 -3.516 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.811 -5.733 -5.103 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.178 -6.996 -4.020 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.388 -5.773 -1.440 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.499 -7.506 -1.828 1.00 0.00 H new ATOM 0 HG23 VAL A 78 3.978 -6.571 -1.505 1.00 0.00 H new ATOM 1227 N ALA A 79 5.367 -8.816 -3.058 1.00 0.00 N ATOM 1228 CA ALA A 79 6.573 -9.260 -2.380 1.00 0.00 C ATOM 1229 C ALA A 79 7.793 -8.894 -3.226 1.00 0.00 C ATOM 1230 O ALA A 79 7.899 -9.305 -4.380 1.00 0.00 O ATOM 1231 CB ALA A 79 6.481 -10.763 -2.108 1.00 0.00 C ATOM 0 H ALA A 79 4.652 -9.535 -3.172 1.00 0.00 H new ATOM 0 HA ALA A 79 6.678 -8.760 -1.417 1.00 0.00 H new ATOM 0 HB1 ALA A 79 7.385 -11.097 -1.599 1.00 0.00 H new ATOM 0 HB2 ALA A 79 5.615 -10.966 -1.479 1.00 0.00 H new ATOM 0 HB3 ALA A 79 6.377 -11.298 -3.052 1.00 0.00 H new ATOM 1237 N SER A 80 8.685 -8.124 -2.619 1.00 0.00 N ATOM 1238 CA SER A 80 9.894 -7.697 -3.302 1.00 0.00 C ATOM 1239 C SER A 80 9.612 -6.442 -4.130 1.00 0.00 C ATOM 1240 O SER A 80 8.476 -6.206 -4.538 1.00 0.00 O ATOM 1241 CB SER A 80 10.444 -8.811 -4.196 1.00 0.00 C ATOM 1242 OG SER A 80 11.867 -8.863 -4.169 1.00 0.00 O ATOM 0 H SER A 80 8.594 -7.785 -1.661 1.00 0.00 H new ATOM 0 HA SER A 80 10.648 -7.466 -2.550 1.00 0.00 H new ATOM 0 HB2 SER A 80 10.040 -9.770 -3.871 1.00 0.00 H new ATOM 0 HB3 SER A 80 10.106 -8.654 -5.220 1.00 0.00 H new ATOM 0 HG SER A 80 12.179 -9.588 -4.750 1.00 0.00 H new ATOM 1248 N GLN A 81 10.666 -5.671 -4.354 1.00 0.00 N ATOM 1249 CA GLN A 81 10.546 -4.446 -5.127 1.00 0.00 C ATOM 1250 C GLN A 81 9.940 -3.334 -4.268 1.00 0.00 C ATOM 1251 O GLN A 81 9.582 -3.562 -3.113 1.00 0.00 O ATOM 1252 CB GLN A 81 9.717 -4.675 -6.392 1.00 0.00 C ATOM 1253 CG GLN A 81 10.327 -3.941 -7.588 1.00 0.00 C ATOM 1254 CD GLN A 81 9.804 -4.512 -8.907 1.00 0.00 C ATOM 1255 OE1 GLN A 81 8.840 -4.035 -9.482 1.00 0.00 O ATOM 1256 NE2 GLN A 81 10.493 -5.559 -9.354 1.00 0.00 N ATOM 0 H GLN A 81 11.607 -5.871 -4.014 1.00 0.00 H new ATOM 0 HA GLN A 81 11.544 -4.136 -5.438 1.00 0.00 H new ATOM 0 HB2 GLN A 81 9.661 -5.742 -6.606 1.00 0.00 H new ATOM 0 HB3 GLN A 81 8.696 -4.328 -6.230 1.00 0.00 H new ATOM 0 HG2 GLN A 81 10.089 -2.879 -7.528 1.00 0.00 H new ATOM 0 HG3 GLN A 81 11.413 -4.026 -7.556 1.00 0.00 H new ATOM 0 HE21 GLN A 81 11.291 -5.909 -8.823 1.00 0.00 H new ATOM 0 HE22 GLN A 81 10.223 -6.012 -10.227 1.00 0.00 H new ATOM 1265 N THR A 82 9.844 -2.155 -4.864 1.00 0.00 N ATOM 1266 CA THR A 82 9.287 -1.007 -4.168 1.00 0.00 C ATOM 1267 C THR A 82 8.009 -0.531 -4.861 1.00 0.00 C ATOM 1268 O THR A 82 8.037 -0.150 -6.030 1.00 0.00 O ATOM 1269 CB THR A 82 10.372 0.069 -4.089 1.00 0.00 C ATOM 1270 OG1 THR A 82 11.486 -0.603 -3.507 1.00 0.00 O ATOM 1271 CG2 THR A 82 10.033 1.169 -3.082 1.00 0.00 C ATOM 0 H THR A 82 10.143 -1.969 -5.822 1.00 0.00 H new ATOM 0 HA THR A 82 8.990 -1.266 -3.152 1.00 0.00 H new ATOM 0 HB THR A 82 10.517 0.511 -5.075 1.00 0.00 H new ATOM 0 HG1 THR A 82 12.236 0.022 -3.420 1.00 0.00 H new ATOM 0 HG21 THR A 82 10.835 1.907 -3.065 1.00 0.00 H new ATOM 0 HG22 THR A 82 9.101 1.653 -3.372 1.00 0.00 H new ATOM 0 HG23 THR A 82 9.921 0.732 -2.090 1.00 0.00 H new ATOM 1279 N LEU A 83 6.918 -0.570 -4.111 1.00 0.00 N ATOM 1280 CA LEU A 83 5.632 -0.148 -4.638 1.00 0.00 C ATOM 1281 C LEU A 83 5.583 1.381 -4.689 1.00 0.00 C ATOM 1282 O LEU A 83 6.499 2.051 -4.214 1.00 0.00 O ATOM 1283 CB LEU A 83 4.491 -0.773 -3.833 1.00 0.00 C ATOM 1284 CG LEU A 83 4.145 -2.224 -4.174 1.00 0.00 C ATOM 1285 CD1 LEU A 83 3.427 -2.905 -3.008 1.00 0.00 C ATOM 1286 CD2 LEU A 83 3.338 -2.304 -5.471 1.00 0.00 C ATOM 0 H LEU A 83 6.898 -0.888 -3.142 1.00 0.00 H new ATOM 0 HA LEU A 83 5.504 -0.506 -5.660 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.748 -0.721 -2.775 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.598 -0.165 -3.974 1.00 0.00 H new ATOM 0 HG LEU A 83 5.075 -2.768 -4.340 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.193 -3.935 -3.277 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.072 -2.897 -2.129 1.00 0.00 H new ATOM 0 HD13 LEU A 83 2.504 -2.369 -2.786 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.105 -3.346 -5.691 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.412 -1.741 -5.358 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.922 -1.882 -6.289 1.00 0.00 H new ATOM 1298 N VAL A 84 4.505 1.888 -5.270 1.00 0.00 N ATOM 1299 CA VAL A 84 4.326 3.325 -5.389 1.00 0.00 C ATOM 1300 C VAL A 84 2.896 3.691 -4.986 1.00 0.00 C ATOM 1301 O VAL A 84 1.936 3.136 -5.519 1.00 0.00 O ATOM 1302 CB VAL A 84 4.683 3.782 -6.804 1.00 0.00 C ATOM 1303 CG1 VAL A 84 4.493 5.292 -6.958 1.00 0.00 C ATOM 1304 CG2 VAL A 84 6.111 3.369 -7.169 1.00 0.00 C ATOM 0 H VAL A 84 3.747 1.329 -5.663 1.00 0.00 H new ATOM 0 HA VAL A 84 5.000 3.851 -4.713 1.00 0.00 H new ATOM 0 HB VAL A 84 4.003 3.287 -7.497 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.754 5.590 -7.974 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.453 5.550 -6.760 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.137 5.814 -6.250 1.00 0.00 H new ATOM 0 HG21 VAL A 84 6.340 3.706 -8.180 1.00 0.00 H new ATOM 0 HG22 VAL A 84 6.811 3.823 -6.468 1.00 0.00 H new ATOM 0 HG23 VAL A 84 6.200 2.284 -7.119 1.00 0.00 H new ATOM 1314 N LEU A 85 2.798 4.622 -4.049 1.00 0.00 N ATOM 1315 CA LEU A 85 1.502 5.068 -3.569 1.00 0.00 C ATOM 1316 C LEU A 85 1.231 6.484 -4.084 1.00 0.00 C ATOM 1317 O LEU A 85 2.132 7.320 -4.113 1.00 0.00 O ATOM 1318 CB LEU A 85 1.422 4.943 -2.046 1.00 0.00 C ATOM 1319 CG LEU A 85 0.016 4.971 -1.444 1.00 0.00 C ATOM 1320 CD1 LEU A 85 -0.494 6.407 -1.308 1.00 0.00 C ATOM 1321 CD2 LEU A 85 -0.945 4.095 -2.251 1.00 0.00 C ATOM 0 H LEU A 85 3.596 5.080 -3.609 1.00 0.00 H new ATOM 0 HA LEU A 85 0.711 4.428 -3.961 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.903 4.010 -1.752 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.001 5.754 -1.604 1.00 0.00 H new ATOM 0 HG LEU A 85 0.067 4.551 -0.439 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.495 6.398 -0.878 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.175 6.971 -0.658 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.526 6.876 -2.291 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.937 4.133 -1.801 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -0.997 4.461 -3.276 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.586 3.066 -2.251 1.00 0.00 H new ATOM 1333 N ASP A 86 -0.014 6.708 -4.478 1.00 0.00 N ATOM 1334 CA ASP A 86 -0.414 8.007 -4.990 1.00 0.00 C ATOM 1335 C ASP A 86 -1.648 8.493 -4.227 1.00 0.00 C ATOM 1336 O ASP A 86 -2.772 8.358 -4.707 1.00 0.00 O ATOM 1337 CB ASP A 86 -0.778 7.925 -6.474 1.00 0.00 C ATOM 1338 CG ASP A 86 0.272 8.497 -7.429 1.00 0.00 C ATOM 1339 OD1 ASP A 86 1.460 8.160 -7.236 1.00 0.00 O ATOM 1340 OD2 ASP A 86 -0.137 9.259 -8.332 1.00 0.00 O ATOM 0 H ASP A 86 -0.759 6.012 -4.453 1.00 0.00 H new ATOM 0 HA ASP A 86 0.423 8.693 -4.861 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -0.952 6.881 -6.733 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -1.718 8.454 -6.632 1.00 0.00 H new ATOM 1345 N THR A 87 -1.396 9.050 -3.052 1.00 0.00 N ATOM 1346 CA THR A 87 -2.472 9.557 -2.218 1.00 0.00 C ATOM 1347 C THR A 87 -3.372 10.498 -3.022 1.00 0.00 C ATOM 1348 O THR A 87 -2.948 11.052 -4.035 1.00 0.00 O ATOM 1349 CB THR A 87 -1.847 10.218 -0.988 1.00 0.00 C ATOM 1350 OG1 THR A 87 -0.786 11.006 -1.520 1.00 0.00 O ATOM 1351 CG2 THR A 87 -1.142 9.210 -0.077 1.00 0.00 C ATOM 0 H THR A 87 -0.462 9.161 -2.658 1.00 0.00 H new ATOM 0 HA THR A 87 -3.121 8.750 -1.876 1.00 0.00 H new ATOM 0 HB THR A 87 -2.620 10.739 -0.423 1.00 0.00 H new ATOM 0 HG1 THR A 87 -0.327 11.472 -0.790 1.00 0.00 H new ATOM 0 HG21 THR A 87 -0.716 9.731 0.781 1.00 0.00 H new ATOM 0 HG22 THR A 87 -1.861 8.468 0.270 1.00 0.00 H new ATOM 0 HG23 THR A 87 -0.346 8.713 -0.632 1.00 0.00 H new ATOM 1359 N PRO A 88 -4.629 10.654 -2.527 1.00 0.00 N ATOM 1360 CA PRO A 88 -5.592 11.518 -3.188 1.00 0.00 C ATOM 1361 C PRO A 88 -5.271 12.992 -2.932 1.00 0.00 C ATOM 1362 O PRO A 88 -4.408 13.311 -2.116 1.00 0.00 O ATOM 1363 CB PRO A 88 -6.943 11.099 -2.632 1.00 0.00 C ATOM 1364 CG PRO A 88 -6.649 10.342 -1.347 1.00 0.00 C ATOM 1365 CD PRO A 88 -5.165 10.013 -1.329 1.00 0.00 C ATOM 0 HA PRO A 88 -5.574 11.416 -4.273 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -7.572 11.968 -2.438 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -7.479 10.469 -3.342 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -6.917 10.945 -0.479 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -7.243 9.429 -1.297 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -4.686 10.395 -0.427 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -4.998 8.936 -1.348 1.00 0.00 H new ATOM 1373 N PRO A 89 -6.002 13.875 -3.664 1.00 0.00 N ATOM 1374 CA PRO A 89 -5.805 15.308 -3.525 1.00 0.00 C ATOM 1375 C PRO A 89 -6.422 15.822 -2.223 1.00 0.00 C ATOM 1376 O PRO A 89 -5.859 16.699 -1.568 1.00 0.00 O ATOM 1377 CB PRO A 89 -6.441 15.915 -4.764 1.00 0.00 C ATOM 1378 CG PRO A 89 -7.374 14.850 -5.318 1.00 0.00 C ATOM 1379 CD PRO A 89 -7.033 13.534 -4.640 1.00 0.00 C ATOM 0 HA PRO A 89 -4.752 15.583 -3.459 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -6.989 16.824 -4.516 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -5.683 16.190 -5.497 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -8.414 15.118 -5.130 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -7.257 14.764 -6.398 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -7.908 13.100 -4.156 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -6.670 12.800 -5.360 1.00 0.00 H new ATOM 1387 N ASP A 90 -7.571 15.256 -1.886 1.00 0.00 N ATOM 1388 CA ASP A 90 -8.271 15.646 -0.674 1.00 0.00 C ATOM 1389 C ASP A 90 -8.442 14.423 0.229 1.00 0.00 C ATOM 1390 O ASP A 90 -9.163 13.488 -0.117 1.00 0.00 O ATOM 1391 CB ASP A 90 -9.663 16.195 -0.994 1.00 0.00 C ATOM 1392 CG ASP A 90 -10.232 17.163 0.045 1.00 0.00 C ATOM 1393 OD1 ASP A 90 -9.581 17.306 1.103 1.00 0.00 O ATOM 1394 OD2 ASP A 90 -11.304 17.737 -0.241 1.00 0.00 O ATOM 0 H ASP A 90 -8.035 14.530 -2.431 1.00 0.00 H new ATOM 0 HA ASP A 90 -7.683 16.419 -0.180 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -9.624 16.702 -1.958 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -10.351 15.357 -1.103 1.00 0.00 H new ATOM 1399 N ALA A 91 -7.765 14.468 1.367 1.00 0.00 N ATOM 1400 CA ALA A 91 -7.833 13.374 2.322 1.00 0.00 C ATOM 1401 C ALA A 91 -8.322 13.909 3.669 1.00 0.00 C ATOM 1402 O ALA A 91 -7.846 14.939 4.143 1.00 0.00 O ATOM 1403 CB ALA A 91 -6.463 12.701 2.425 1.00 0.00 C ATOM 0 H ALA A 91 -7.167 15.244 1.649 1.00 0.00 H new ATOM 0 HA ALA A 91 -8.544 12.618 1.990 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -6.514 11.881 3.141 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -6.174 12.313 1.448 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -5.724 13.429 2.759 1.00 0.00 H new ATOM 1409 N LYS A 92 -9.268 13.184 4.248 1.00 0.00 N ATOM 1410 CA LYS A 92 -9.828 13.572 5.532 1.00 0.00 C ATOM 1411 C LYS A 92 -8.690 13.858 6.514 1.00 0.00 C ATOM 1412 O LYS A 92 -7.819 13.015 6.723 1.00 0.00 O ATOM 1413 CB LYS A 92 -10.817 12.515 6.027 1.00 0.00 C ATOM 1414 CG LYS A 92 -12.219 12.774 5.474 1.00 0.00 C ATOM 1415 CD LYS A 92 -13.285 12.533 6.545 1.00 0.00 C ATOM 1416 CE LYS A 92 -13.946 13.848 6.966 1.00 0.00 C ATOM 1417 NZ LYS A 92 -13.246 14.430 8.133 1.00 0.00 N ATOM 0 H LYS A 92 -9.661 12.330 3.852 1.00 0.00 H new ATOM 0 HA LYS A 92 -10.404 14.492 5.434 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -10.479 11.525 5.722 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -10.845 12.520 7.117 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -12.287 13.800 5.113 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -12.403 12.122 4.620 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -14.041 11.848 6.163 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -12.832 12.055 7.414 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -13.928 14.553 6.135 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -14.993 13.673 7.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -13.707 15.321 8.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -13.285 13.762 8.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -12.253 14.616 7.885 1.00 0.00 H new ATOM 1431 N MET A 93 -8.734 15.051 7.090 1.00 0.00 N ATOM 1432 CA MET A 93 -7.718 15.458 8.045 1.00 0.00 C ATOM 1433 C MET A 93 -8.137 16.732 8.782 1.00 0.00 C ATOM 1434 O MET A 93 -8.666 17.660 8.172 1.00 0.00 O ATOM 1435 CB MET A 93 -6.397 15.703 7.312 1.00 0.00 C ATOM 1436 CG MET A 93 -5.206 15.266 8.167 1.00 0.00 C ATOM 1437 SD MET A 93 -5.236 13.496 8.396 1.00 0.00 S ATOM 1438 CE MET A 93 -5.376 13.416 10.174 1.00 0.00 C ATOM 0 H MET A 93 -9.457 15.748 6.913 1.00 0.00 H new ATOM 0 HA MET A 93 -7.595 14.661 8.778 1.00 0.00 H new ATOM 0 HB2 MET A 93 -6.393 15.155 6.370 1.00 0.00 H new ATOM 0 HB3 MET A 93 -6.304 16.761 7.066 1.00 0.00 H new ATOM 0 HG2 MET A 93 -4.274 15.563 7.686 1.00 0.00 H new ATOM 0 HG3 MET A 93 -5.239 15.767 9.135 1.00 0.00 H new ATOM 0 HE1 MET A 93 -5.690 12.415 10.470 1.00 0.00 H new ATOM 0 HE2 MET A 93 -4.410 13.641 10.626 1.00 0.00 H new ATOM 0 HE3 MET A 93 -6.114 14.143 10.514 1.00 0.00 H new ATOM 1448 N SER A 94 -7.885 16.736 10.082 1.00 0.00 N ATOM 1449 CA SER A 94 -8.229 17.880 10.909 1.00 0.00 C ATOM 1450 C SER A 94 -7.720 19.168 10.257 1.00 0.00 C ATOM 1451 O SER A 94 -8.494 20.092 10.012 1.00 0.00 O ATOM 1452 CB SER A 94 -7.654 17.735 12.319 1.00 0.00 C ATOM 1453 OG SER A 94 -8.013 18.830 13.157 1.00 0.00 O ATOM 0 H SER A 94 -7.446 15.964 10.584 1.00 0.00 H new ATOM 0 HA SER A 94 -9.315 17.927 10.993 1.00 0.00 H new ATOM 0 HB2 SER A 94 -8.012 16.806 12.763 1.00 0.00 H new ATOM 0 HB3 SER A 94 -6.568 17.663 12.262 1.00 0.00 H new ATOM 0 HG SER A 94 -7.628 18.699 14.049 1.00 0.00 H new ATOM 1459 N GLU A 95 -6.421 19.187 9.996 1.00 0.00 N ATOM 1460 CA GLU A 95 -5.800 20.346 9.379 1.00 0.00 C ATOM 1461 C GLU A 95 -5.362 20.015 7.950 1.00 0.00 C ATOM 1462 O GLU A 95 -4.172 20.048 7.639 1.00 0.00 O ATOM 1463 CB GLU A 95 -4.618 20.844 10.213 1.00 0.00 C ATOM 1464 CG GLU A 95 -3.489 19.811 10.237 1.00 0.00 C ATOM 1465 CD GLU A 95 -3.115 19.441 11.674 1.00 0.00 C ATOM 1466 OE1 GLU A 95 -3.933 18.743 12.311 1.00 0.00 O ATOM 1467 OE2 GLU A 95 -2.020 19.865 12.102 1.00 0.00 O ATOM 0 H GLU A 95 -5.782 18.419 10.201 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.536 21.149 9.337 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -4.248 21.783 9.801 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -4.948 21.051 11.231 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -3.798 18.917 9.696 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -2.615 20.210 9.721 1.00 0.00 H new ATOM 1474 N ALA A 96 -6.347 19.705 7.121 1.00 0.00 N ATOM 1475 CA ALA A 96 -6.078 19.368 5.733 1.00 0.00 C ATOM 1476 C ALA A 96 -6.011 20.653 4.905 1.00 0.00 C ATOM 1477 O ALA A 96 -6.431 21.714 5.364 1.00 0.00 O ATOM 1478 CB ALA A 96 -7.150 18.403 5.225 1.00 0.00 C ATOM 0 H ALA A 96 -7.332 19.680 7.383 1.00 0.00 H new ATOM 0 HA ALA A 96 -5.116 18.865 5.640 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -6.948 18.150 4.184 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.137 17.495 5.828 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -8.130 18.875 5.300 1.00 0.00 H new ATOM 1484 N ARG A 97 -5.480 20.515 3.699 1.00 0.00 N ATOM 1485 CA ARG A 97 -5.353 21.652 2.803 1.00 0.00 C ATOM 1486 C ARG A 97 -5.111 21.174 1.370 1.00 0.00 C ATOM 1487 O ARG A 97 -3.992 20.806 1.015 1.00 0.00 O ATOM 1488 CB ARG A 97 -4.201 22.564 3.230 1.00 0.00 C ATOM 1489 CG ARG A 97 -4.250 23.897 2.480 1.00 0.00 C ATOM 1490 CD ARG A 97 -2.845 24.476 2.299 1.00 0.00 C ATOM 1491 NE ARG A 97 -2.382 25.086 3.565 1.00 0.00 N ATOM 1492 CZ ARG A 97 -1.187 25.671 3.723 1.00 0.00 C ATOM 1493 NH1 ARG A 97 -0.328 25.729 2.697 1.00 0.00 N ATOM 1494 NH2 ARG A 97 -0.851 26.199 4.908 1.00 0.00 N ATOM 0 H ARG A 97 -5.133 19.633 3.321 1.00 0.00 H new ATOM 0 HA ARG A 97 -6.285 22.216 2.849 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -4.254 22.745 4.304 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -3.249 22.069 3.037 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -4.716 23.753 1.505 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -4.871 24.605 3.029 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -2.156 23.690 1.991 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -2.850 25.224 1.506 1.00 0.00 H new ATOM 0 HE ARG A 97 -3.012 25.060 4.367 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -0.583 25.328 1.795 1.00 0.00 H new ATOM 0 HH12 ARG A 97 0.582 26.175 2.818 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -1.505 26.155 5.690 1.00 0.00 H new ATOM 0 HH22 ARG A 97 0.059 26.644 5.028 1.00 0.00 H new ATOM 1508 N SER A 98 -6.178 21.194 0.585 1.00 0.00 N ATOM 1509 CA SER A 98 -6.096 20.767 -0.801 1.00 0.00 C ATOM 1510 C SER A 98 -7.459 20.923 -1.479 1.00 0.00 C ATOM 1511 O SER A 98 -8.496 20.827 -0.824 1.00 0.00 O ATOM 1512 CB SER A 98 -5.616 19.318 -0.904 1.00 0.00 C ATOM 1513 OG SER A 98 -5.195 18.987 -2.224 1.00 0.00 O ATOM 0 H SER A 98 -7.104 21.499 0.883 1.00 0.00 H new ATOM 0 HA SER A 98 -5.369 21.400 -1.310 1.00 0.00 H new ATOM 0 HB2 SER A 98 -4.791 19.159 -0.210 1.00 0.00 H new ATOM 0 HB3 SER A 98 -6.420 18.647 -0.601 1.00 0.00 H new ATOM 0 HG SER A 98 -5.057 18.019 -2.290 1.00 0.00 H new ATOM 1519 N SER A 99 -7.413 21.161 -2.781 1.00 0.00 N ATOM 1520 CA SER A 99 -8.631 21.332 -3.555 1.00 0.00 C ATOM 1521 C SER A 99 -9.501 20.078 -3.444 1.00 0.00 C ATOM 1522 O SER A 99 -8.998 18.959 -3.536 1.00 0.00 O ATOM 1523 CB SER A 99 -8.315 21.631 -5.021 1.00 0.00 C ATOM 1524 OG SER A 99 -8.084 23.019 -5.245 1.00 0.00 O ATOM 0 H SER A 99 -6.551 21.240 -3.320 1.00 0.00 H new ATOM 0 HA SER A 99 -9.178 22.183 -3.149 1.00 0.00 H new ATOM 0 HB2 SER A 99 -7.436 21.063 -5.325 1.00 0.00 H new ATOM 0 HB3 SER A 99 -9.143 21.296 -5.646 1.00 0.00 H new ATOM 0 HG SER A 99 -7.884 23.169 -6.193 1.00 0.00 H new ATOM 1530 N GLY A 100 -10.791 20.307 -3.248 1.00 0.00 N ATOM 1531 CA GLY A 100 -11.736 19.210 -3.123 1.00 0.00 C ATOM 1532 C GLY A 100 -13.140 19.644 -3.550 1.00 0.00 C ATOM 1533 O GLY A 100 -13.874 20.242 -2.764 1.00 0.00 O ATOM 0 H GLY A 100 -11.204 21.236 -3.173 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -11.408 18.371 -3.737 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -11.758 18.860 -2.091 1.00 0.00 H new ATOM 1537 N PRO A 101 -13.480 19.318 -4.825 1.00 0.00 N ATOM 1538 CA PRO A 101 -14.782 19.668 -5.365 1.00 0.00 C ATOM 1539 C PRO A 101 -15.872 18.752 -4.804 1.00 0.00 C ATOM 1540 O PRO A 101 -15.580 17.667 -4.306 1.00 0.00 O ATOM 1541 CB PRO A 101 -14.627 19.552 -6.873 1.00 0.00 C ATOM 1542 CG PRO A 101 -13.391 18.697 -7.100 1.00 0.00 C ATOM 1543 CD PRO A 101 -12.636 18.610 -5.784 1.00 0.00 C ATOM 0 HA PRO A 101 -15.096 20.674 -5.087 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -15.508 19.093 -7.322 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -14.512 20.535 -7.331 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -13.673 17.702 -7.445 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -12.760 19.135 -7.874 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -12.480 17.574 -5.485 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -11.651 19.071 -5.861 1.00 0.00 H new ATOM 1551 N SER A 102 -17.106 19.225 -4.904 1.00 0.00 N ATOM 1552 CA SER A 102 -18.241 18.462 -4.412 1.00 0.00 C ATOM 1553 C SER A 102 -19.347 18.428 -5.470 1.00 0.00 C ATOM 1554 O SER A 102 -19.796 19.474 -5.937 1.00 0.00 O ATOM 1555 CB SER A 102 -18.776 19.051 -3.105 1.00 0.00 C ATOM 1556 OG SER A 102 -19.058 20.442 -3.222 1.00 0.00 O ATOM 0 H SER A 102 -17.345 20.126 -5.318 1.00 0.00 H new ATOM 0 HA SER A 102 -17.907 17.444 -4.211 1.00 0.00 H new ATOM 0 HB2 SER A 102 -19.682 18.521 -2.813 1.00 0.00 H new ATOM 0 HB3 SER A 102 -18.045 18.895 -2.311 1.00 0.00 H new ATOM 0 HG SER A 102 -19.314 20.647 -4.145 1.00 0.00 H new ATOM 1562 N SER A 103 -19.753 17.216 -5.817 1.00 0.00 N ATOM 1563 CA SER A 103 -20.797 17.032 -6.811 1.00 0.00 C ATOM 1564 C SER A 103 -21.087 15.542 -6.996 1.00 0.00 C ATOM 1565 O SER A 103 -22.207 15.090 -6.765 1.00 0.00 O ATOM 1566 CB SER A 103 -20.403 17.667 -8.146 1.00 0.00 C ATOM 1567 OG SER A 103 -21.495 17.702 -9.062 1.00 0.00 O ATOM 0 H SER A 103 -19.378 16.351 -5.428 1.00 0.00 H new ATOM 0 HA SER A 103 -21.700 17.529 -6.456 1.00 0.00 H new ATOM 0 HB2 SER A 103 -20.042 18.681 -7.973 1.00 0.00 H new ATOM 0 HB3 SER A 103 -19.579 17.106 -8.586 1.00 0.00 H new ATOM 0 HG SER A 103 -21.205 18.116 -9.902 1.00 0.00 H new ATOM 1573 N GLY A 104 -20.057 14.818 -7.411 1.00 0.00 N ATOM 1574 CA GLY A 104 -20.187 13.388 -7.630 1.00 0.00 C ATOM 1575 C GLY A 104 -21.277 13.088 -8.661 1.00 0.00 C ATOM 1576 O GLY A 104 -20.993 12.959 -9.850 1.00 0.00 O ATOM 0 H GLY A 104 -19.129 15.196 -7.601 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -19.236 12.981 -7.972 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -20.425 12.893 -6.689 1.00 0.00 H new TER 1580 GLY A 104